Protein Data Bank File : 1d4ga Title : HYDROLASE/HYDROLASE INHIBITOR 04-OCT-99 1D4G Number of Amino Acid Residues : 430 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 ASP LYS LEU PRO TYR LYS VAL ALA ASP ILE 10 GLY LEU ALA ALA TRP GLY ARG LYS ALA LEU 20 ASP ILE ALA GLU ASN GLU MET PRO GLY LEU 30 MET ARG MET ARG GLU MET TYR SER ALA SER 40 LYS PRO LEU LYS GLY ALA ARG ILE ALA GLY 50 CYS LEU HIS MET THR VAL GLU THR ALA VAL 60 LEU ILE GLU THR LEU VAL ALA LEU GLY ALA 70 GLU VAL ARG TRP SER SER CYS ASN ILE PHE 80 SER THR GLN ASN HIS ALA ALA ALA ALA ILE 90 ALA LYS ALA GLY ILE PRO VAL PHE ALA TRP 100 LYS GLY GLU THR ASP GLU GLU TYR LEU TRP 110 CYS ILE GLU GLN THR LEU HIS PHE LYS ASP 120 GLY PRO LEU ASN MET ILE LEU ASP ASP GLY 130 GLY ASP LEU THR ASN LEU ILE HIS THR LYS 140 HIS PRO GLN LEU LEU SER GLY ILE ARG GLY 150 ILE SER GLU GLU THR THR THR GLY VAL HIS 160 ASN LEU TYR LYS MET MET ALA ASN GLY ILE 170 LEU LYS VAL PRO ALA ILE ASN VAL ASN ASP 180 SER VAL THR LYS SER LYS PHE ASP ASN LEU 190 TYR GLY CYS ARG GLU SER LEU ILE ASP GLY 200 ILE LYS ARG ALA THR ASP VAL MET ILE ALA 210 GLY LYS VAL ALA VAL VAL ALA GLY TYR GLY 220 ASP VAL GLY LYS GLY CYS ALA GLN ALA LEU 230 ARG GLY PHE GLY ALA ARG VAL ILE ILE THR 240 GLU ILE ASP PRO ILE ASN ALA LEU GLN ALA 250 ALA MET GLU GLY TYR GLU VAL THR THR MET 260 ASP GLU ALA CYS LYS GLU GLY ASN ILE PHE 270 VAL THR THR THR GLY CYS VAL ASP ILE ILE 280 LEU GLY ARG HIS PHE GLU GLN MET LYS ASP 290 ASP ALA ILE VAL CYS ASN ILE GLY HIS PHE 300 ASP VAL GLU ILE ASP VAL LYS TRP LEU ASN 310 GLU ASN ALA VAL GLU LYS VAL ASN ILE LYS 320 PRO GLN VAL ASP ARG TYR LEU LEU LYS ASN 330 GLY ARG ARG ILE ILE LEU LEU ALA GLU GLY 340 ARG LEU VAL ASN LEU GLY CYS ALA MET GLY 350 HIS PRO SER PHE VAL MET SER ASN SER PHE 360 THR ASN GLN VAL MET ALA GLN ILE GLU LEU 370 TRP THR HIS PRO ASP LYS TYR PRO VAL GLY 380 VAL HIS PHE LEU PRO LYS LYS LEU ASP GLU 390 ALA VAL ALA GLU ALA HIS LEU GLY LYS LEU 400 ASN VAL LYS LEU THR LYS LEU THR GLU LYS 410 GLN ALA GLN TYR LEU GLY MET PRO ILE ASN 420 GLY PRO PHE LYS PRO ASP HIS TYR ARG TYR Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 ASP 0.0 -65.6 179.8 148.7 32.1 2 LYS -82.0 -162.3 -180.0 -34.6 175.1 -156.5 107.4 3 LEU -58.2 148.9 179.5 -94.7 158.1 4 PRO -67.8 -33.4 179.2 24.0 -33.0 5 TYR -163.6 -159.7 -179.6 50.6 79.8 6 LYS -173.6 92.3 179.4 -117.7 -88.2 164.8 45.7 7 VAL -124.4 169.9 -179.4 -48.3 8 ALA -66.5 -56.5 179.6 9 ASP -148.7 105.8 179.1 -177.7 5.9 10 ILE -58.3 -12.8 -179.4 -166.5 114.7 11 GLY -57.7 -35.7 -179.8 12 LEU -75.6 -4.7 -179.1 -57.7 -24.8 13 ALA -55.0 -38.8 179.0 14 ALA -67.3 -51.1 179.5 15 TRP -60.1 -46.1 -179.6 167.7 22.4 16 GLY -43.9 -54.7 -179.6 17 ARG -40.6 -58.3 179.7 -177.0 48.5 61.7 -164.1 18 LYS -53.0 -38.3 178.2 -59.9 144.5 111.0 -167.2 19 ALA -66.7 -46.4 179.2 20 LEU -56.4 -45.8 178.9 -55.6 -155.0 21 ASP -49.1 -69.5 179.9 -74.3 -46.7 22 ILE -48.4 -44.5 -179.5 -58.7 -176.7 23 ALA -67.9 -18.4 -179.1 24 GLU -75.3 -30.1 -179.5 -104.5 -171.1 31.3 25 ASN -82.4 -17.4 179.5 -132.2 90.8 26 GLU -96.6 8.5 180.0 -75.9 -83.4 -74.2 27 MET -126.4 64.1 -179.9 -55.9 -172.3 120.0 28 PRO -60.2 -12.4 179.8 20.3 -31.5 29 GLY -83.4 -43.5 -179.6 30 LEU -70.4 -31.8 180.0 -72.4 -174.3 31 MET -80.3 -23.9 179.5 -49.0 -47.8 -50.0 32 ARG -77.8 -45.9 178.7 -168.0 46.4 -105.3 -141.5 33 MET -61.5 -19.2 179.3 -69.6 -62.6 -83.1 34 ARG -82.6 -59.0 179.9 -95.3 -179.4 -156.8 -168.0 35 GLU -62.5 -11.2 -179.7 39.0 -168.7 -134.6 36 MET -91.6 -47.8 -177.8 -82.0 -169.7 43.9 37 TYR -112.4 -4.7 -178.4 -56.5 -13.7 38 SER -58.0 -42.5 -179.9 147.3 39 ALA -85.5 17.6 179.6 40 SER -137.6 -20.6 179.0 150.4 41 LYS 42.7 74.5 179.9 -32.4 -145.8 130.1 -159.9 42 PRO -68.1 -19.2 -179.1 23.9 -31.5 43 LEU -90.9 -2.4 -179.1 -89.4 -163.7 44 LYS -43.2 127.6 179.7 -150.1 -164.0 119.8 -154.6 45 GLY 100.3 -41.7 -179.7 46 ALA -50.3 157.2 -179.9 47 ARG -138.5 71.9 -179.1 -62.4 -163.4 -75.1 -99.9 48 ILE -62.5 137.6 178.1 -47.8 144.6 49 ALA -122.4 98.5 -178.8 50 GLY -92.6 140.0 179.0 51 CYS -127.2 54.2 179.6 -158.9 52 LEU -116.6 139.4 -179.6 -165.5 129.0 53 HIS -32.8 140.4 179.7 -46.3 -86.0 54 MET -98.6 99.2 180.0 -124.7 -59.5 135.8 55 THR -129.4 -170.0 179.2 74.1 56 VAL -73.7 -34.7 -179.8 169.7 57 GLU -69.2 -43.2 179.4 -75.1 78.9 -141.0 58 THR -63.3 -39.5 -179.5 -60.1 59 ALA -47.8 -44.4 -179.9 60 VAL -69.6 -36.1 179.0 -153.6 61 LEU -59.6 -51.4 -179.9 153.7 75.7 62 ILE -55.8 -63.3 -179.9 -45.1 -151.0 63 GLU -46.2 -33.1 179.3 -56.5 -120.2 -119.2 64 THR -69.5 -51.8 179.2 -56.2 65 LEU -54.3 -38.1 178.9 -67.1 157.2 66 VAL -72.1 -40.7 179.3 -172.1 67 ALA -56.5 -31.2 179.9 68 LEU -84.1 14.7 180.0 -87.9 33.2 69 GLY 67.4 73.8 179.5 70 ALA -147.8 163.9 179.1 71 GLU -104.8 119.0 -179.5 -68.2 -136.8 -102.6 72 VAL -111.8 142.1 177.9 -163.9 73 ARG -134.9 119.4 -177.0 -73.1 -140.0 121.2 -167.3 74 TRP -118.1 148.0 179.3 -142.2 -93.1 75 SER -140.3 157.4 -179.8 158.3 76 SER -97.1 141.0 -179.2 -161.3 77 CYS -89.3 15.7 179.0 52.9 78 ASN -160.0 130.9 -178.8 -174.8 -94.3 79 ILE -51.7 -56.3 -179.5 58.3 -163.9 80 PHE -85.9 -17.7 -177.2 -30.5 -61.7 81 SER -63.4 1.1 180.0 91.1 82 THR -88.4 161.1 178.0 -42.0 83 GLN -126.6 100.0 -177.5 -84.5 149.0 -154.4 84 ASN -49.9 -21.9 178.7 -61.2 -32.1 85 HIS -85.4 -21.5 179.0 70.6 -91.5 86 ALA -78.4 -60.8 178.4 87 ALA -58.7 -29.8 179.8 88 ALA -62.8 -34.1 -179.4 89 ALA -84.8 -30.9 178.9 90 ILE -66.5 -41.6 179.0 -78.3 -59.7 91 ALA -70.3 -52.7 178.6 92 LYS -54.9 -22.6 179.6 146.1 -153.7 178.2 138.2 93 ALA -79.3 -18.8 179.7 94 GLY 105.8 7.2 -179.5 95 ILE -94.7 124.2 -179.7 -57.2 143.0 96 PRO -60.4 90.7 178.4 -17.8 32.2 97 VAL -103.5 147.9 178.2 -130.1 98 PHE -144.1 65.6 -179.1 -53.4 -89.7 99 ALA -138.6 156.5 -179.9 100 TRP -179.2 135.1 -179.7 65.8 82.2 101 LYS -56.0 137.0 179.7 -170.3 159.3 -140.7 160.1 102 GLY 72.3 56.6 179.1 103 GLU -83.3 -152.6 177.9 -66.6 -171.2 12.2 104 THR -146.8 152.3 -179.8 80.0 105 ASP -48.1 -25.5 -179.6 -79.1 -56.7 106 GLU -74.5 -63.9 -179.4 -66.6 79.5 -126.2 107 GLU -57.9 -27.5 -179.7 0.7 -161.5 -112.0 108 TYR -64.9 -31.2 179.4 173.4 77.7 109 LEU -79.7 -36.0 178.5 -147.3 -118.2 110 TRP -65.3 -53.4 -179.6 177.5 88.0 111 CYS -52.1 -40.9 179.2 -67.2 112 ILE -68.0 -52.5 -179.2 -72.3 -166.5 113 GLU -64.4 -9.6 179.6 -109.7 134.2 -4.3 114 GLN -77.5 -15.1 -179.3 -83.5 -52.9 -86.4 115 THR -109.6 26.2 -179.2 81.8 116 LEU -94.8 -24.6 -178.4 -45.2 143.2 117 HIS -121.2 125.9 179.7 -61.4 -69.6 118 PHE -104.0 179.2 179.4 -62.0 61.3 119 LYS -56.3 -76.4 -179.2 -152.1 121.7 -47.0 167.8 120 ASP -56.9 -16.3 179.7 -50.2 131.7 121 GLY 161.0 -175.1 180.0 122 PRO -76.7 170.6 179.7 29.1 -30.9 123 LEU -54.6 134.4 178.6 78.7 173.1 124 ASN -114.0 22.8 -179.7 53.2 10.8 125 MET -169.0 164.4 179.2 -149.0 72.5 125.8 126 ILE -139.2 148.4 177.8 -66.1 -171.6 127 LEU -136.5 88.6 -177.9 -157.1 146.7 128 ASP -96.3 168.4 -178.8 -118.5 -11.1 129 ASP -153.8 70.7 180.0 -170.2 -89.7 130 GLY 133.2 -8.8 179.3 131 GLY 81.7 6.3 -178.9 132 ASP -72.7 -40.6 179.9 -90.3 20.9 133 LEU -74.0 -52.1 179.8 -155.5 -150.3 134 THR -59.8 -34.5 178.9 93.3 135 ASN -67.5 -48.6 179.8 -131.2 -123.1 136 LEU -48.1 -56.4 -179.2 179.4 71.4 137 ILE -63.4 -43.8 -179.2 -86.5 69.5 138 HIS -61.7 -33.9 -178.8 -82.6 -152.5 139 THR -105.9 -21.5 -179.0 93.4 140 LYS -115.7 -29.2 -179.2 -51.8 -63.4 175.3 170.0 141 HIS -133.8 60.9 -179.5 -40.9 -33.1 142 PRO -67.9 -14.7 179.6 -7.3 23.1 143 GLN -72.0 -19.5 179.9 -22.3 81.4 -153.0 144 LEU -91.0 -7.2 -178.5 -60.0 170.6 145 LEU -68.3 -43.4 -178.9 -116.5 -8.4 146 SER -71.6 10.8 179.8 18.9 147 GLY -113.6 -48.1 -180.0 148 ILE -50.6 109.6 -178.9 -44.7 175.9 149 ARG -66.4 -23.6 -179.5 -176.3 160.9 -50.2 -168.0 150 GLY -175.8 178.9 180.0 151 ILE -130.8 149.1 179.3 -41.6 -161.8 152 SER -130.3 102.5 179.5 -62.1 153 GLU -98.8 133.1 -177.6 -173.7 39.8 -143.4 154 GLU -103.3 -30.5 -177.4 -121.6 -128.6 48.1 155 THR -109.6 155.4 -179.2 -150.7 156 THR -51.6 -40.6 179.2 -17.4 157 THR -58.1 -58.8 -179.8 -68.1 158 GLY -58.4 -51.0 179.8 159 VAL -60.9 -33.6 178.7 157.7 160 HIS -68.8 -43.7 178.9 148.1 -66.0 161 ASN -69.0 -32.1 179.2 -62.5 -7.7 162 LEU -57.3 -51.9 179.8 -107.3 -160.7 163 TYR -63.1 -30.6 179.8 -70.1 -66.6 164 LYS -65.4 -56.6 179.2 -133.6 174.8 -138.6 179.1 165 MET -46.7 -47.7 179.5 -67.9 -171.0 127.1 166 MET -52.8 -58.8 -178.9 -114.9 -18.8 -141.5 167 ALA -50.4 -16.7 179.8 168 ASN -122.2 12.0 178.9 -12.2 -43.6 169 GLY 63.6 4.4 -179.8 170 ILE -56.9 -54.2 179.1 -58.3 -30.6 171 LEU -45.6 121.9 -178.8 179.2 -77.2 172 LYS -110.7 -14.9 179.9 -53.7 -82.6 162.7 -175.0 173 VAL -120.2 139.7 179.9 9.8 174 PRO -55.9 131.6 -179.0 17.3 -31.9 175 ALA -123.5 158.6 179.2 176 ILE -119.8 125.7 179.9 -105.5 -178.0 177 ASN -84.2 103.0 -178.7 171.3 9.9 178 VAL -91.0 -18.9 179.7 -175.0 179 ASN -65.6 -61.4 -179.4 -174.4 -111.5 180 ASP -70.1 68.2 177.5 -51.9 -23.7 181 SER -135.9 129.5 -179.5 -113.7 182 VAL -42.2 -48.1 -178.5 -145.3 183 THR -67.7 -18.4 179.2 28.0 184 LYS -97.6 -81.9 -178.9 -146.3 -59.5 -113.0 -154.2 185 SER -45.6 -52.3 -177.9 31.5 186 LYS -75.0 -6.2 -179.7 -47.8 -148.3 78.1 16.0 187 PHE -122.9 -26.3 -178.3 -70.0 91.7 188 ASP -92.4 -61.3 -179.1 -163.1 -67.1 189 ASN -67.5 -28.4 -178.5 -36.3 160.4 190 LEU -92.3 -47.1 -179.7 166.9 64.9 191 TYR -85.8 -41.9 179.5 -70.9 -33.5 192 GLY -63.5 -40.9 -179.4 193 CYS -66.6 -20.3 -179.9 -92.0 194 ARG -70.6 -36.4 -177.9 -156.6 157.0 67.6 -164.7 195 GLU -98.2 -26.9 -179.7 -55.9 -157.5 20.1 196 SER -89.7 -12.8 179.2 88.6 197 LEU -74.3 -72.5 -179.3 168.4 71.7 198 ILE -41.5 -28.9 -179.9 -57.4 -67.4 199 ASP -72.6 -46.2 179.5 -93.4 -30.7 200 GLY -68.4 -35.6 -179.7 201 ILE -86.5 24.3 179.8 -157.2 159.2 202 LYS -146.4 -45.7 178.2 -106.8 -158.0 -162.6 -89.8 203 ARG -65.4 -15.1 179.0 -76.4 -171.2 -156.1 171.9 204 ALA -88.5 -75.5 -178.8 205 THR -86.9 -26.9 -179.8 55.4 206 ASP 61.7 28.0 -179.8 -110.1 -87.2 207 VAL -78.0 153.5 177.5 61.6 208 MET -81.1 139.0 -179.6 162.6 148.7 -104.1 209 ILE -85.8 -38.9 -179.3 -61.6 -58.5 210 ALA -49.3 116.1 178.1 211 GLY 88.6 10.3 179.7 212 LYS -110.4 132.7 178.3 -95.2 143.6 -138.8 80.4 213 VAL -69.2 131.6 -179.1 173.9 214 ALA -121.0 135.0 -179.7 215 VAL -111.5 119.0 179.1 -167.9 216 VAL -112.6 115.5 -179.3 159.5 217 ALA -91.4 97.1 -179.8 218 GLY 122.3 136.5 179.9 219 TYR -124.8 61.6 178.4 -150.5 64.1 220 GLY -105.4 -166.1 179.5 221 ASP -51.9 -40.0 -179.9 -44.5 -66.9 222 VAL -72.6 -42.3 178.9 163.0 223 GLY -70.0 -31.4 179.7 224 LYS -69.0 -42.3 -180.0 -85.2 174.7 177.1 59.2 225 GLY -79.6 -29.6 179.5 226 CYS -68.1 -42.0 179.6 -100.1 227 ALA -67.3 -51.7 179.3 228 GLN -42.0 -47.1 -179.0 -125.4 179.1 -72.4 229 ALA -61.2 -53.7 -179.9 230 LEU -59.0 -41.7 179.4 -68.7 161.7 231 ARG -64.4 -53.7 -179.2 169.6 153.2 89.8 -167.6 232 GLY -59.0 -1.9 179.5 233 PHE -109.9 -13.5 178.8 -95.1 -44.2 234 GLY 112.8 24.9 179.9 235 ALA -106.8 150.9 179.3 236 ARG -88.4 96.9 -178.2 -176.0 142.3 68.0 81.9 237 VAL -77.6 112.9 178.2 -173.9 238 ILE -104.0 127.6 -179.7 -56.9 -154.4 239 ILE -105.0 153.9 177.0 -44.8 -97.6 240 THR -131.1 141.8 -178.9 61.1 241 GLU -161.3 164.0 -179.9 -106.9 -98.6 24.0 242 ILE -111.4 -31.9 179.5 59.0 137.6 243 ASP -75.0 115.5 -179.7 -146.8 -42.9 244 PRO -60.2 -34.5 -179.9 22.3 -33.8 245 ILE -76.6 -19.0 179.2 -64.0 -177.1 246 ASN -94.5 -19.5 179.0 -87.3 -80.8 247 ALA -75.9 -40.8 178.6 248 LEU -65.6 -53.4 179.8 -149.0 42.6 249 GLN -44.4 -31.9 -179.6 -73.9 -156.8 156.4 250 ALA -84.9 -45.1 179.9 251 ALA -63.7 -45.5 -179.9 252 MET -60.0 -11.6 179.8 -75.3 -66.4 -78.9 253 GLU -102.5 -14.7 179.6 -143.3 76.0 -16.4 254 GLY 116.8 -16.7 179.8 255 TYR -73.9 151.8 178.0 -48.0 -88.9 256 GLU -87.7 133.2 -179.6 161.3 178.7 14.8 257 VAL -115.4 108.2 179.7 -163.5 258 THR -121.1 -144.2 179.6 -1.4 259 THR -132.3 145.1 -179.1 64.0 260 MET -52.5 -33.5 179.6 -166.0 87.2 70.7 261 ASP -54.5 -23.5 179.8 -61.3 44.7 262 GLU -104.0 -51.2 -178.0 -84.4 -56.4 -61.5 263 ALA -64.2 -26.0 -178.8 264 CYS -63.2 -15.5 -179.6 58.6 265 LYS -94.0 -2.7 -178.8 -35.7 -173.0 -121.1 -177.8 266 GLU -116.4 -33.5 -178.2 -152.0 172.4 179.0 267 GLY -63.8 148.3 177.7 268 ASN -115.3 -10.8 -179.5 -50.5 -99.6 269 ILE -149.3 113.5 -179.6 -75.3 172.7 270 PHE -108.6 140.7 177.6 -57.0 66.6 271 VAL -138.2 142.1 179.7 -163.5 272 THR -119.7 103.8 179.6 -45.3 273 THR -95.7 4.7 179.7 69.9 274 THR -71.9 166.6 178.1 -60.8 275 GLY -117.8 3.5 -178.2 276 CYS -91.8 172.7 -179.8 175.3 277 VAL -104.9 162.3 179.2 -83.2 278 ASP 67.9 33.6 -179.9 -56.8 -30.6 279 ILE -79.0 -49.0 179.4 -56.3 -68.2 280 ILE -126.5 106.2 -178.8 -77.5 -174.6 281 LEU -108.8 -172.8 179.7 -58.8 -10.1 282 GLY -63.7 -43.9 178.9 283 ARG -50.1 -14.9 178.8 139.3 177.8 55.0 125.2 284 HIS -106.3 -37.0 -179.4 -56.9 149.0 285 PHE -61.8 -42.5 -179.6 -76.8 -61.2 286 GLU -63.9 -20.8 -178.2 -108.9 143.5 30.7 287 GLN -102.8 -18.1 -178.8 -69.2 -107.7 40.1 288 MET -63.0 158.4 180.0 -66.9 173.7 -172.3 289 LYS -69.1 166.4 179.6 -56.4 -135.4 -140.8 162.5 290 ASP -59.2 153.0 -180.0 -174.5 57.1 291 ASP 41.5 32.3 178.9 -71.9 -14.6 292 ALA -59.9 126.3 -179.7 293 ILE -85.4 92.1 179.7 -79.7 177.6 294 VAL -86.2 151.8 -179.8 -177.3 295 CYS 172.7 158.8 179.9 89.6 296 ASN -131.8 156.3 179.9 115.2 83.0 297 ILE -118.5 -15.3 178.8 -160.5 134.9 298 GLY -56.6 151.3 -178.5 299 HIS -39.1 -88.8 -179.1 -166.5 82.8 300 PHE -69.1 147.3 179.9 -69.5 -63.5 301 ASP -87.2 81.4 -178.4 67.9 125.9 302 VAL -136.9 4.5 -178.4 -60.5 303 GLU -91.9 -21.3 179.3 -0.5 -133.4 -61.0 304 ILE -114.3 153.3 -179.5 -71.5 167.1 305 ASP -104.7 72.5 -179.9 -149.1 -85.1 306 VAL -61.3 -37.2 179.0 -168.6 307 LYS -49.0 -51.2 179.4 -46.9 108.8 -92.3 -113.8 308 TRP -58.2 -48.1 179.3 180.0 100.3 309 LEU -53.7 -22.5 -179.5 -100.5 -176.8 310 ASN -96.7 -52.2 -179.1 -77.3 142.7 311 GLU -72.6 -0.5 -178.4 -92.0 -178.0 4.5 312 ASN -136.0 10.6 -179.9 -99.3 -73.8 313 ALA -93.9 161.1 178.1 314 VAL -98.4 8.6 -179.8 92.8 315 GLU 165.3 151.7 178.9 158.7 164.1 -98.1 316 LYS -143.4 121.5 179.7 178.1 -135.2 -113.5 179.6 317 VAL -119.8 125.1 179.6 178.6 318 ASN -84.3 117.5 179.7 150.5 -95.3 319 ILE -68.2 -53.6 179.6 -55.0 -56.1 320 LYS -166.4 167.8 179.9 48.7 126.8 69.3 114.1 321 PRO -36.3 137.5 -179.9 -27.8 24.3 322 GLN 62.1 4.4 178.8 -90.7 77.7 39.4 323 VAL -131.8 115.4 179.3 179.7 324 ASP -119.9 141.2 179.7 -77.7 153.6 325 ARG -118.7 100.2 -179.5 -158.5 165.5 178.6 -98.1 326 TYR -80.8 176.8 177.8 -67.7 72.4 327 LEU -144.5 107.9 179.9 179.3 60.2 328 LEU -80.3 162.3 -178.8 -60.9 -175.6 329 LYS -65.6 -1.7 179.6 -73.7 -160.2 -101.7 -58.2 330 ASN -101.8 0.4 178.5 66.4 -0.9 331 GLY 95.2 -12.1 179.4 332 ARG -96.0 152.0 -178.4 56.4 -166.5 59.5 -85.2 333 ARG -105.9 148.5 179.9 -47.8 161.5 -88.4 -122.5 334 ILE -122.9 127.1 179.7 -60.9 -51.5 335 ILE -99.4 103.8 -179.8 -49.3 -151.9 336 LEU -91.2 138.8 -178.9 -155.3 -114.2 337 LEU -116.6 154.5 179.6 -49.8 158.6 338 ALA 45.8 25.5 179.5 339 GLU 51.5 39.7 179.7 -86.5 -137.7 164.7 340 GLY 75.6 15.8 179.9 341 ARG -115.3 163.9 179.8 -37.7 -147.7 154.7 63.9 342 LEU -21.7 97.5 -178.8 -90.0 9.7 343 VAL -61.7 -35.2 -178.9 65.5 344 ASN -75.9 -43.7 -179.1 71.7 -51.1 345 LEU -80.2 -31.9 -179.5 -105.2 175.9 346 GLY -83.4 -31.7 -179.6 347 CYS -109.6 11.5 -179.0 -49.5 348 ALA -154.8 -132.0 -179.8 349 MET -127.7 0.0 -179.7 -124.5 76.5 123.1 350 GLY 74.0 179.7 -179.5 351 HIS -42.3 154.3 179.5 -52.7 173.4 352 PRO -78.1 160.2 -177.9 -4.7 23.5 353 SER -51.1 -42.5 -178.7 23.2 354 PHE -60.8 -36.5 -179.2 -168.2 79.4 355 VAL -82.5 -28.9 -179.9 63.4 356 MET -77.8 -11.7 179.5 -76.6 -31.1 -76.1 357 SER -74.9 -36.1 179.9 171.7 358 ASN -61.6 -47.6 -179.8 -128.5 38.8 359 SER -66.5 -55.6 180.0 -60.3 360 PHE -59.8 -24.3 178.5 -60.0 -12.9 361 THR -73.4 -21.2 179.3 -70.9 362 ASN -90.7 -16.1 -179.4 -85.1 -101.3 363 GLN -90.2 -29.7 178.8 -156.1 65.6 126.3 364 VAL -79.7 -34.6 179.5 171.1 365 MET -71.0 -44.0 -179.9 -72.8 -168.3 173.1 366 ALA -52.4 -60.5 179.8 367 GLN -48.4 -66.9 179.2 -67.5 -90.1 -42.8 368 ILE -39.3 -52.5 179.7 -59.2 153.9 369 GLU -46.2 -60.8 -178.7 -85.1 -50.0 127.4 370 LEU -58.5 -34.5 179.8 -90.0 54.7 371 TRP -80.6 -63.6 -179.5 -158.3 -125.5 372 THR -56.5 -48.9 -178.3 -34.3 373 HIS -118.7 62.0 -179.8 -29.7 -73.4 374 PRO -58.4 -49.5 -178.5 20.4 -31.9 375 ASP -38.0 -34.7 -179.5 56.9 5.3 376 LYS -97.3 17.9 179.8 71.1 166.1 176.5 142.9 377 TYR -132.9 63.3 179.8 -76.8 103.3 378 PRO -53.5 176.4 -180.0 14.0 -29.1 379 VAL -64.2 110.7 180.0 -176.3 380 GLY 154.4 156.4 -180.0 381 VAL -77.8 127.3 -179.6 21.2 382 HIS -123.3 162.1 179.0 -25.9 107.2 383 PHE -99.0 159.9 179.2 -85.3 -44.7 384 LEU -94.0 140.8 -179.7 -118.8 93.7 385 PRO -42.6 149.1 179.9 -30.9 36.7 386 LYS -70.8 -29.4 179.9 -163.9 159.1 -85.1 -127.2 387 LYS -61.7 -37.6 178.8 -100.8 -94.0 -111.5 -9.3 388 LEU -69.7 -45.8 179.3 -73.2 -171.4 389 ASP -50.8 -62.7 180.0 -106.8 85.2 390 GLU -47.6 -32.4 -180.0 -51.4 174.0 -11.2 391 ALA -65.2 -40.6 179.6 392 VAL -66.6 -47.2 -180.0 173.5 393 ALA -62.3 -57.9 179.9 394 GLU -56.7 -21.3 -179.7 -171.8 -96.5 -175.9 395 ALA -63.8 -30.4 -178.8 396 HIS -101.9 -0.9 179.8 -57.4 48.8 397 LEU -63.7 -40.7 -179.4 -88.8 43.0 398 GLY -60.4 -53.2 180.0 399 LYS -45.1 -51.0 179.9 -136.8 -100.2 -164.8 -76.7 400 LEU -72.7 1.3 179.8 -44.7 -159.8 401 ASN 62.5 32.4 178.6 -148.0 84.6 402 VAL -72.1 153.3 179.2 160.9 403 LYS -125.7 90.0 -180.0 -70.8 179.9 102.1 152.9 404 LEU -67.6 135.8 -178.9 -151.1 72.1 405 THR -88.7 139.7 -178.7 -22.6 406 LYS -103.7 140.7 179.3 -167.4 -146.1 163.9 -144.2 407 LEU -66.0 147.3 177.4 -94.9 28.9 408 THR -98.4 164.0 -179.5 49.9 409 GLU -52.0 -26.7 -178.7 -165.2 60.4 85.9 410 LYS -78.1 -45.2 -179.6 -149.8 166.1 127.7 -17.7 411 GLN -68.5 -42.1 179.3 -70.8 174.2 117.4 412 ALA -61.3 -35.1 179.8 413 GLN -69.7 -50.8 179.6 -146.0 83.4 -112.8 414 TYR -63.9 -45.2 -179.5 169.5 78.6 415 LEU -72.9 -23.0 179.8 -72.2 170.7 416 GLY 69.4 40.3 179.6 417 MET -134.1 155.3 -180.0 115.5 -137.6 -40.0 418 PRO -65.2 127.0 -179.4 -14.3 30.2 419 ILE -46.5 -12.9 178.5 176.6 148.5 420 ASN -140.1 -44.0 -179.9 -140.0 75.3 421 GLY -42.9 162.4 -179.5 422 PRO -27.6 111.4 -178.9 -31.6 25.4 423 PHE -73.9 -22.4 -179.7 -55.2 -83.6 424 LYS -126.4 156.5 179.7 -97.2 3.0 -101.5 156.6 425 PRO -70.3 169.9 -179.6 26.7 -34.1 426 ASP -58.6 -41.2 -177.9 -99.7 -78.8 427 HIS -75.5 -0.8 179.4 60.3 -94.0 428 TYR -58.5 123.9 -179.6 -145.4 48.7 429 ARG -91.2 16.5 179.6 -72.0 -155.8 -153.6 40.0 430 TYR 27.1 39.7 0.0 -73.5 88.4 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 ASP 48.712 25.575 52.289 2 LYS 47.437 22.316 53.788 3 LEU 46.411 19.135 51.969 4 PRO 44.592 19.449 48.631 5 TYR 41.871 17.141 49.964 6 LYS 41.296 14.071 52.130 7 VAL 39.381 10.991 51.043 8 ALA 39.406 7.243 51.793 9 ASP 40.506 5.961 48.363 10 ILE 40.906 8.129 45.259 11 GLY 40.717 4.791 43.457 12 LEU 36.925 4.985 43.468 13 ALA 37.134 8.387 41.741 14 ALA 36.731 6.618 38.413 15 TRP 33.755 4.544 39.596 16 GLY 32.336 7.619 41.271 17 ARG 32.036 9.462 37.953 18 LYS 29.668 6.919 36.373 19 ALA 27.461 7.163 39.472 20 LEU 27.573 10.954 39.177 21 ASP 26.680 10.385 35.530 22 ILE 23.650 8.255 36.384 23 ALA 22.816 10.574 39.299 24 GLU 22.988 13.502 36.889 25 ASN 20.000 12.286 34.916 26 GLU 17.827 11.864 38.011 27 MET 18.474 15.469 39.021 28 PRO 16.679 17.605 36.369 29 GLY 16.752 20.458 38.838 30 LEU 20.510 20.572 39.186 31 MET 21.064 20.215 35.441 32 ARG 18.484 22.911 34.706 33 MET 20.034 25.353 37.173 34 ARG 23.177 24.483 35.218 35 GLU 22.018 25.042 31.652 36 MET 20.460 28.143 33.174 37 TYR 23.268 29.886 35.101 38 SER 26.466 28.108 34.015 39 ALA 27.315 30.514 31.184 40 SER 26.755 33.482 33.476 41 LYS 28.143 32.152 36.755 42 PRO 25.912 34.069 39.229 43 LEU 28.015 32.607 42.033 44 LYS 31.258 34.032 40.654 45 GLY 33.508 35.071 43.506 46 ALA 31.688 33.184 46.260 47 ARG 33.635 30.739 48.408 48 ILE 31.093 28.229 49.672 49 ALA 32.071 26.029 52.599 50 GLY 29.684 23.097 52.640 51 CYS 29.068 20.744 55.555 52 LEU 26.553 18.472 53.883 53 HIS 26.935 14.680 53.693 54 MET 29.369 13.718 50.972 55 THR 27.524 11.405 48.596 56 VAL 26.987 10.991 44.855 57 GLU 23.988 13.318 45.010 58 THR 25.907 16.015 46.834 59 ALA 28.659 15.517 44.263 60 VAL 26.355 16.821 41.529 61 LEU 25.248 19.765 43.687 62 ILE 28.871 20.862 44.157 63 GLU 29.944 20.470 40.559 64 THR 26.827 22.545 39.911 65 LEU 27.791 25.276 42.396 66 VAL 31.191 25.293 40.696 67 ALA 29.536 25.251 37.258 68 LEU 27.856 28.522 38.311 69 GLY 31.331 29.896 38.819 70 ALA 32.077 29.538 42.527 71 GLU 34.832 28.227 44.758 72 VAL 33.774 25.166 46.729 73 ARG 35.339 23.464 49.755 74 TRP 33.403 20.480 51.088 75 SER 33.114 18.490 54.302 76 SER 30.623 15.844 55.459 77 CYS 28.163 16.527 58.280 78 ASN 28.326 12.914 59.426 79 ILE 31.208 10.491 59.977 80 PHE 29.755 7.396 58.257 81 SER 27.391 9.309 55.951 82 THR 30.016 9.755 53.228 83 GLN 30.400 7.723 50.022 84 ASN 34.089 7.335 49.207 85 HIS 33.452 6.884 45.468 86 ALA 31.515 10.161 45.446 87 ALA 34.048 12.264 47.375 88 ALA 36.757 10.394 45.425 89 ALA 35.586 11.958 42.127 90 ILE 35.002 15.445 43.536 91 ALA 38.620 15.476 44.694 92 LYS 39.903 13.823 41.512 93 ALA 37.861 16.624 39.938 94 GLY 40.000 19.176 41.750 95 ILE 37.483 20.165 44.389 96 PRO 38.905 20.311 47.956 97 VAL 37.085 17.516 49.749 98 PHE 37.896 16.244 53.214 99 ALA 35.296 13.538 53.718 100 TRP 35.329 9.769 54.021 101 LYS 33.052 7.101 55.462 102 GLY 33.882 6.199 59.048 103 GLU 35.685 9.282 60.352 104 THR 36.154 10.107 64.021 105 ASP 34.846 13.002 66.098 106 GLU 38.418 14.276 65.716 107 GLU 38.965 14.156 61.959 108 TYR 35.390 15.380 61.588 109 LEU 36.398 18.681 63.211 110 TRP 39.548 18.961 61.116 111 CYS 37.634 18.254 57.896 112 ILE 35.122 21.017 58.652 113 GLU 37.813 23.485 59.620 114 GLN 39.603 22.433 56.443 115 THR 37.071 24.384 54.372 116 LEU 37.256 27.776 56.096 117 HIS 40.126 29.215 54.080 118 PHE 40.430 29.547 50.302 119 LYS 43.262 30.829 48.106 120 ASP 42.124 34.411 47.705 121 GLY 40.704 34.214 51.211 122 PRO 38.341 32.526 53.688 123 LEU 34.762 31.417 52.965 124 ASN 32.368 34.245 52.128 125 MET 29.428 31.850 52.320 126 ILE 28.102 28.690 54.004 127 LEU 26.041 25.682 52.884 128 ASP 24.985 23.762 55.966 129 ASP 23.010 20.637 56.817 130 GLY 22.638 20.467 60.594 131 GLY 24.096 23.700 61.984 132 ASP 27.605 22.321 62.649 133 LEU 29.502 24.645 60.314 134 THR 27.551 27.829 61.143 135 ASN 27.834 26.961 64.844 136 LEU 31.593 26.405 64.557 137 ILE 32.271 29.865 63.075 138 HIS 29.790 31.648 65.339 139 THR 31.468 30.229 68.463 140 LYS 35.059 29.516 67.404 141 HIS 35.882 31.782 64.456 142 PRO 33.731 34.976 64.734 143 GLN 36.462 36.972 63.037 144 LEU 35.371 35.040 59.926 145 LEU 31.715 36.042 60.481 146 SER 31.650 39.560 59.014 147 GLY 32.624 37.961 55.746 148 ILE 30.246 35.049 55.255 149 ARG 27.570 36.632 53.090 150 GLY 25.066 34.021 54.145 151 ILE 23.929 30.606 55.300 152 SER 22.007 27.755 53.686 153 GLU 20.435 25.330 56.151 154 GLU 18.928 22.123 54.767 155 THR 17.672 20.185 57.746 156 THR 15.086 20.703 60.474 157 THR 17.779 20.399 63.124 158 GLY 19.945 23.194 61.745 159 VAL 17.036 25.450 60.779 160 HIS 15.457 24.863 64.223 161 ASN 18.742 25.856 65.856 162 LEU 18.872 28.653 63.282 163 TYR 15.634 30.116 64.647 164 LYS 17.050 29.481 68.115 165 MET 20.226 31.507 67.564 166 MET 17.893 34.202 66.323 167 ALA 15.661 34.134 69.429 168 ASN 18.822 34.865 71.426 169 GLY 20.389 37.081 68.775 170 ILE 23.378 34.759 68.404 171 LEU 22.940 34.342 64.636 172 LYS 25.092 37.097 63.125 173 VAL 24.790 36.310 59.415 174 PRO 21.610 36.218 57.271 175 ALA 20.413 32.653 56.702 176 ILE 18.019 30.846 54.388 177 ASN 15.811 28.080 55.702 178 VAL 15.902 25.367 52.983 179 ASN 14.241 22.546 54.915 180 ASP 10.897 24.276 55.250 181 SER 10.255 24.532 51.524 182 VAL 7.320 22.657 49.969 183 THR 9.796 21.198 47.517 184 LYS 12.118 20.197 50.372 185 SER 10.367 19.078 53.574 186 LYS 7.305 17.608 51.874 187 PHE 9.280 15.731 49.222 188 ASP 12.583 14.972 50.939 189 ASN 11.956 14.115 54.594 190 LEU 8.677 12.468 53.663 191 TYR 9.371 10.856 50.282 192 GLY 13.115 10.329 50.551 193 CYS 12.739 8.687 53.953 194 ARG 10.226 6.264 52.470 195 GLU 12.911 4.820 50.218 196 SER 16.140 5.389 52.157 197 LEU 14.896 3.948 55.455 198 ILE 14.034 0.352 54.537 199 ASP 17.387 0.367 52.733 200 GLY 19.482 1.292 55.745 201 ILE 17.349 -1.069 57.817 202 LYS 17.952 -3.960 55.397 203 ARG 21.342 -3.610 53.745 204 ALA 22.209 -3.673 57.438 205 THR 20.115 -6.437 58.985 206 ASP 18.392 -7.774 55.849 207 VAL 15.406 -8.601 58.029 208 MET 11.984 -9.199 56.491 209 ILE 9.622 -6.346 57.313 210 ALA 6.405 -8.283 56.703 211 GLY 4.791 -9.325 59.968 212 LYS 7.029 -7.472 62.406 213 VAL 5.635 -4.873 64.797 214 ALA 7.482 -1.646 64.009 215 VAL 7.853 1.374 66.270 216 VAL 8.370 4.824 64.775 217 ALA 9.070 7.529 67.342 218 GLY 7.870 10.818 65.889 219 TYR 5.341 11.807 63.235 220 GLY 6.821 14.556 61.111 221 ASP 7.574 14.454 57.404 222 VAL 10.300 11.883 58.221 223 GLY 8.091 10.006 60.654 224 LYS 5.280 10.251 58.106 225 GLY 7.390 8.750 55.333 226 CYS 9.127 6.247 57.631 227 ALA 5.853 4.718 58.790 228 GLN 4.445 4.583 55.264 229 ALA 7.454 2.438 54.387 230 LEU 7.218 -0.027 57.274 231 ARG 3.490 -0.313 56.648 232 GLY 3.623 -0.830 52.888 233 PHE 5.793 -3.895 53.470 234 GLY 3.552 -5.583 56.007 235 ALA 4.665 -4.315 59.398 236 ARG 2.479 -3.077 62.235 237 VAL 3.633 0.531 62.578 238 ILE 3.104 1.926 66.083 239 ILE 3.704 5.654 66.393 240 THR 4.608 7.684 69.479 241 GLU 4.283 11.469 69.594 242 ILE 4.000 14.642 71.645 243 ASP 2.265 16.859 69.071 244 PRO -1.517 16.379 69.433 245 ILE -2.147 17.462 65.847 246 ASN 0.467 14.958 64.764 247 ALA -1.022 12.334 67.052 248 LEU -4.363 12.722 65.317 249 GLN -2.714 12.743 61.874 250 ALA -1.376 9.273 62.701 251 ALA -4.475 7.765 64.321 252 MET -6.648 9.169 61.543 253 GLU -4.447 7.145 59.202 254 GLY -4.759 3.912 61.150 255 TYR -1.541 3.661 63.171 256 GLU -1.754 3.093 66.907 257 VAL -0.258 6.002 68.875 258 THR 1.179 5.216 72.302 259 THR 4.295 5.971 74.352 260 MET 7.611 4.147 74.142 261 ASP 7.006 3.176 77.769 262 GLU 4.273 1.001 76.287 263 ALA 5.485 0.398 72.738 264 CYS 8.983 -0.729 73.693 265 LYS 7.480 -4.053 74.765 266 GLU 5.832 -4.808 71.425 267 GLY 8.160 -3.608 68.674 268 ASN 10.545 -5.779 66.658 269 ILE 11.874 -2.739 64.756 270 PHE 12.316 0.703 66.322 271 VAL 13.047 3.956 64.517 272 THR 13.550 7.485 65.801 273 THR 12.630 10.211 63.334 274 THR 12.590 12.587 66.295 275 GLY 15.204 15.319 66.698 276 CYS 14.976 15.100 70.460 277 VAL 16.931 13.305 73.169 278 ASP 15.938 10.513 75.555 279 ILE 13.811 8.699 72.987 280 ILE 15.027 5.109 73.501 281 LEU 16.717 4.366 76.832 282 GLY 17.699 1.300 78.821 283 ARG 14.320 1.245 80.546 284 HIS 13.098 0.349 77.045 285 PHE 16.063 -1.779 76.037 286 GLU 15.546 -4.034 79.038 287 GLN 11.944 -4.554 77.876 288 MET 12.288 -4.969 74.087 289 LYS 11.847 -8.262 72.228 290 ASP 14.779 -10.500 71.251 291 ASP 16.867 -9.178 68.356 292 ALA 14.834 -5.957 68.406 293 ILE 16.232 -3.872 65.553 294 VAL 16.853 -0.510 67.192 295 CYS 17.992 2.494 65.149 296 ASN 17.183 6.160 64.565 297 ILE 16.905 8.310 61.432 298 GLY 16.789 11.818 62.897 299 HIS 19.827 13.953 62.060 300 PHE 22.063 13.909 65.147 301 ASP 22.510 10.662 67.096 302 VAL 21.047 11.768 70.426 303 GLU 17.715 9.933 70.419 304 ILE 18.970 6.488 71.409 305 ASP 21.098 5.584 74.407 306 VAL 23.879 3.459 72.938 307 LYS 26.163 4.302 75.872 308 TRP 23.732 2.389 78.086 309 LEU 23.594 -0.408 75.533 310 ASN 27.345 -0.558 76.146 311 GLU 27.720 0.207 79.856 312 ASN 24.916 -2.251 80.646 313 ALA 25.171 -5.223 78.267 314 VAL 26.486 -8.710 79.055 315 GLU 28.173 -8.762 75.646 316 LYS 28.420 -6.918 72.341 317 VAL 29.196 -8.606 69.052 318 ASN 29.735 -6.542 65.932 319 ILE 28.004 -8.316 63.060 320 LYS 29.607 -6.090 60.425 321 PRO 30.288 -2.352 59.982 322 GLN 27.489 -0.162 61.352 323 VAL 25.807 -3.275 62.776 324 ASP 26.220 -4.427 66.364 325 ARG 24.383 -7.285 68.068 326 TYR 24.284 -6.789 71.820 327 LEU 23.255 -9.181 74.593 328 LEU 21.323 -7.818 77.563 329 LYS 21.326 -9.339 81.049 330 ASN 17.832 -10.742 80.429 331 GLY 18.974 -13.040 77.654 332 ARG 17.500 -11.196 74.683 333 ARG 19.554 -9.518 71.979 334 ILE 19.294 -6.045 70.460 335 ILE 20.630 -5.238 66.967 336 LEU 21.883 -1.646 66.811 337 LEU 22.590 0.003 63.452 338 ALA 24.792 2.861 62.241 339 GLU 25.933 3.107 65.856 340 GLY 22.814 5.101 66.635 341 ARG 23.436 7.442 63.703 342 LEU 21.509 8.106 60.461 343 VAL 20.505 4.511 59.657 344 ASN 19.712 5.317 56.018 345 LEU 22.789 7.373 55.235 346 GLY 25.218 5.334 57.311 347 CYS 24.080 1.836 56.260 348 ALA 22.967 2.579 52.685 349 MET 23.023 5.467 50.207 350 GLY 20.394 7.802 51.608 351 HIS 17.565 9.243 49.528 352 PRO 17.660 8.607 45.738 353 SER 18.903 11.179 43.197 354 PHE 15.502 12.384 41.977 355 VAL 14.344 13.579 45.387 356 MET 17.682 15.111 46.336 357 SER 17.540 17.161 43.142 358 ASN 14.532 19.001 44.542 359 SER 16.408 19.988 47.709 360 PHE 19.751 20.912 46.173 361 THR 17.793 22.957 43.619 362 ASN 16.560 24.846 46.654 363 GLN 20.174 24.953 47.805 364 VAL 21.541 26.364 44.565 365 MET 18.724 28.919 44.553 366 ALA 19.282 29.798 48.196 367 GLN 22.971 30.622 47.661 368 ILE 22.533 32.712 44.503 369 GLU 19.844 34.648 46.397 370 LEU 22.177 35.416 49.303 371 TRP 25.094 36.237 46.997 372 THR 23.338 38.025 44.161 373 HIS 20.744 39.890 46.272 374 PRO 22.145 40.414 49.768 375 ASP 20.357 43.749 50.391 376 LYS 16.994 41.971 50.675 377 TYR 18.246 39.295 53.110 378 PRO 18.992 41.013 56.480 379 VAL 20.352 39.135 59.486 380 GLY 17.818 36.407 60.156 381 VAL 16.506 33.132 58.728 382 HIS 14.343 33.568 55.622 383 PHE 12.196 31.498 53.271 384 LEU 12.584 31.349 49.477 385 PRO 9.814 32.838 47.312 386 LYS 6.953 30.439 46.534 387 LYS 7.479 31.372 42.901 388 LEU 10.911 29.867 43.223 389 ASP 9.497 26.783 44.972 390 GLU 7.027 26.031 42.178 391 ALA 10.034 26.435 39.899 392 VAL 11.818 23.644 41.770 393 ALA 8.775 21.359 41.734 394 GLU 7.833 22.051 38.120 395 ALA 11.499 21.470 37.339 396 HIS 10.993 17.734 37.892 397 LEU 7.506 17.439 36.379 398 GLY 8.984 16.872 32.941 399 LYS 11.269 13.936 33.720 400 LEU 8.212 12.096 35.040 401 ASN 6.330 13.206 31.912 402 VAL 3.705 15.061 33.906 403 LYS 1.399 17.296 31.899 404 LEU 0.487 20.326 33.999 405 THR -2.759 21.962 32.981 406 LYS -2.752 25.708 32.305 407 LEU -5.276 28.329 33.420 408 THR -7.301 30.149 30.759 409 GLU -7.827 33.895 30.841 410 LYS -11.233 33.089 32.376 411 GLN -10.161 30.813 35.219 412 ALA -7.279 33.075 36.234 413 GLN -9.865 35.852 36.225 414 TYR -12.446 33.933 38.242 415 LEU -9.920 32.521 40.735 416 GLY -8.323 35.938 40.916 417 MET -4.803 34.549 40.722 418 PRO -1.945 34.994 38.254 419 ILE -2.360 32.568 35.336 420 ASN 1.184 31.629 36.284 421 GLY 2.073 33.646 39.350 422 PRO 2.077 31.948 42.803 423 PHE -0.834 29.496 42.723 424 LYS -1.183 29.270 46.487 425 PRO -1.206 31.693 49.437 426 ASP 1.748 31.837 51.798 427 HIS 0.004 29.716 54.442 428 TYR -0.753 26.731 52.191 429 ARG 0.433 23.638 54.033 430 TYR 0.480 21.709 50.743 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C C C S S S S S H H 10 H 3 3 3 3/H H H H H H 20 H H H H H H H/H H H H 30 H H H H H H H H C C 40 C C C C S S S S S S 50 S S S S S/H H H H H H 60 H H H H H H H H H/S S 70 S S S S S S S T T T 80 T C H H H H H H H H 90 H H H H S S S S/S S S 100 S S C H H H H H H H 110 H H H H 3 3 C T T T 120 T C C C S S S S S S 130 H H H H H H H H H H 140 T T T T/T T T T C C S 150 S S S S S/H H H H H H 160 H H H H H H H H H S 170 S S S/S S S S S/T T T T 180 T T T T/T T T T C H H 190 H H H H H H H/H H H H 200 H H H H H S S S S S 210 S S S/S S S S S S C H 220 H H H H H H H H H H 230 H H H H/S S S S S S S 240 S S H H H H H H H H 250 H H H H/S S S S S S/H H 260 H H H H S S S S/S S S 270 S S S C S S S S C C 280 H H H H H H H H C C 290 C S S S S S S S C C 300 C C C C H H H H H H 310 H H H S S S S S S S/T 320 T T T/S S S S S S/T T T 330 T/S S S S S S/T T T T C 340 C H H H H H H H/S S S 350 S H H H H H H H H H 360 H H H H H H H H H H 370 H H H H/T T T T C S S 380 S S S S H H H H H H 390 H H H H H H H/T T T T 400 S S S S S S S S/H H H 410 H H H H H H C T T T 420 T C S S S S S S S/S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S B S g G 10 G h H H H H H H H H 20 H H H H H h h H H H 30 H H H H H H H h T T 40 t T T T T e E E E E 50 E e h H H H H H 60 H H H H H H H h T t 70 E E E E E e S S S S 80 h H H H H H H H 90 H H h T t e E E 100 S S h H H H H H H 110 H H H h T t B S S 120 S B S E E E E e S 130 h H H H H H H H H H 140 h G G G g T T t 150 E E E h H H H H H 160 H H H H H H H h T t 170 S e E E E e S S 180 h H H H H h T T T T 190 h H H H H H H H H H 200 h T t S S t T 210 T e E E E E E e h 220 H H H H H H H H H H 230 H h T T t E E E E E 240 e S h H H H H H H H 250 H h T T t E E E h H 260 H H H h T T t S E E 270 E E e S S S S B 280 h H H H H h T t t T 290 T E E E S S S 300 S S B h H H H H H 310 H h E E E E E E E E 320 T e E E E E E E e T 330 t e E E E E e G G 340 g h H H H H h S 350 S h H H H H H H H H 360 H H H H H H H H H H 370 H H h G G G g S e 380 E E h H H H H H 390 H H H H H H H h T T 400 T t h H H 410 H H H H H h t S S 420 S S S t T T t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 ASP 3.6 3.2 83.0 2 LYS 101.1 58.3 81.9 3 LEU 69.0 46.7 65.1 4 PRO 41.0 32.9 65.7 5 TYR 114.5 63.3 49.4 6 LYS 94.3 54.4 47.9 7 VAL 115.9 97.6 48.6 8 ALA 44.1 60.7 64.2 9 ASP 40.2 36.3 64.0 10 ILE 72.9 50.8 60.5 11 GLY 5.1 14.5 73.5 12 LEU 96.4 65.2 57.8 13 ALA 68.6 94.5 49.3 14 ALA 16.0 22.0 85.7 15 TRP 69.9 34.1 66.4 16 GLY 34.8 100.0 47.0 17 ARG 136.2 65.2 69.4 18 LYS 36.5 21.0 78.0 19 ALA 55.0 75.8 56.0 20 LEU 146.1 98.8 48.4 21 ASP 47.5 42.9 64.1 22 ILE 15.8 11.0 78.7 23 ALA 67.5 93.0 52.7 24 GLU 89.8 64.8 63.2 25 ASN 19.7 16.3 88.9 26 GLU 76.7 55.3 59.2 27 MET 159.4 100.0 37.9 28 PRO 100.7 80.9 56.6 29 GLY 34.5 99.2 61.0 30 LEU 147.8 100.0 42.2 31 MET 111.8 70.2 64.8 32 ARG 98.9 47.3 68.2 33 MET 154.2 96.8 33.3 34 ARG 174.3 83.4 48.3 35 GLU 46.0 33.2 76.6 36 MET 96.9 60.8 65.2 37 TYR 117.3 64.8 47.9 38 SER 45.9 54.9 63.4 39 ALA 0.0 0.0 87.1 40 SER 19.7 23.5 72.6 41 LYS 86.8 50.1 71.7 42 PRO 100.4 80.6 52.3 43 LEU 147.8 100.0 34.7 44 LYS 28.1 16.2 83.5 45 GLY 0.8 2.3 75.8 46 ALA 72.6 100.0 42.9 47 ARG 162.8 77.9 58.5 48 ILE 143.5 100.0 36.4 49 ALA 72.6 100.0 52.8 50 GLY 34.8 100.0 51.5 51 CYS 98.9 99.7 51.7 52 LEU 142.5 96.4 46.8 53 HIS 132.8 88.4 45.4 54 MET 159.4 100.0 31.8 55 THR 99.5 93.1 60.4 56 VAL 110.1 92.7 46.0 57 GLU 120.7 87.1 49.5 58 THR 105.3 98.5 41.0 59 ALA 72.6 100.0 39.1 60 VAL 117.1 98.5 43.1 61 LEU 147.8 100.0 25.6 62 ILE 143.5 100.0 21.8 63 GLU 105.9 76.4 54.2 64 THR 106.9 100.0 42.2 65 LEU 147.8 100.0 26.2 66 VAL 70.4 59.3 62.0 67 ALA 45.1 62.2 62.8 68 LEU 147.8 100.0 34.8 69 GLY 27.7 79.5 58.1 70 ALA 71.0 97.8 49.5 71 GLU 67.2 48.5 65.6 72 VAL 118.8 100.0 35.3 73 ARG 172.7 82.7 54.6 74 TRP 205.0 100.0 29.8 75 SER 83.0 99.2 50.3 76 SER 83.6 100.0 66.9 77 CYS 98.2 98.9 53.4 78 ASN 103.0 85.2 49.9 79 ILE 124.8 87.0 54.6 80 PHE 148.1 88.8 50.4 81 SER 83.6 100.0 55.1 82 THR 106.9 100.0 58.4 83 GLN 138.6 93.3 51.8 84 ASN 88.5 73.2 56.0 85 HIS 138.1 92.0 33.0 86 ALA 72.6 100.0 51.2 87 ALA 72.6 100.0 40.4 88 ALA 72.6 100.0 50.9 89 ALA 72.6 100.0 56.5 90 ILE 143.5 100.0 32.9 91 ALA 72.5 99.9 47.4 92 LYS 89.9 51.9 63.8 93 ALA 56.2 77.4 70.2 94 GLY 0.6 1.7 81.6 95 ILE 128.7 89.7 41.0 96 PRO 92.8 74.5 66.1 97 VAL 118.8 100.0 34.4 98 PHE 166.5 99.8 50.6 99 ALA 72.6 100.0 47.4 100 TRP 176.4 86.0 51.7 101 LYS 117.4 67.7 76.2 102 GLY 16.5 47.5 61.2 103 GLU 138.4 99.8 46.2 104 THR 53.6 50.1 72.2 105 ASP 15.0 13.6 78.2 106 GLU 16.2 11.7 79.0 107 GLU 82.2 59.3 58.1 108 TYR 151.7 83.8 59.1 109 LEU 64.9 43.9 71.1 110 TRP 121.6 59.3 58.1 111 CYS 98.8 99.6 46.4 112 ILE 140.3 97.8 42.9 113 GLU 103.0 74.3 46.7 114 GLN 141.3 95.1 40.7 115 THR 106.2 99.4 52.8 116 LEU 140.9 95.3 38.6 117 HIS 70.6 47.0 63.1 118 PHE 158.9 95.3 56.1 119 LYS 8.7 5.0 90.7 120 ASP 20.3 18.4 82.8 121 GLY 21.8 62.6 66.1 122 PRO 75.2 60.4 59.9 123 LEU 147.8 100.0 37.3 124 ASN 102.1 84.5 53.5 125 MET 159.4 100.0 42.3 126 ILE 143.5 100.0 32.6 127 LEU 147.8 100.0 34.9 128 ASP 110.0 99.6 53.7 129 ASP 101.1 91.5 50.7 130 GLY 34.5 99.0 54.8 131 GLY 30.0 86.2 71.2 132 ASP 76.7 69.4 52.6 133 LEU 147.1 99.5 36.5 134 THR 104.0 97.3 33.7 135 ASN 61.9 51.2 63.8 136 LEU 130.9 88.6 45.3 137 ILE 143.5 100.0 29.0 138 HIS 149.2 99.3 34.8 139 THR 52.6 49.2 64.4 140 LYS 52.9 30.5 77.9 141 HIS 116.0 77.2 48.1 142 PRO 65.2 52.3 74.2 143 GLN 36.5 24.5 75.0 144 LEU 126.7 85.7 48.0 145 LEU 137.2 92.8 45.3 146 SER 1.9 2.3 86.9 147 GLY 4.1 11.7 81.7 148 ILE 143.5 100.0 41.8 149 ARG 115.4 55.2 62.2 150 GLY 34.8 100.0 41.9 151 ILE 143.5 100.0 35.8 152 SER 83.6 100.0 52.0 153 GLU 137.8 99.4 46.0 154 GLU 134.3 96.9 44.7 155 THR 85.1 79.6 65.7 156 THR 29.2 27.3 81.1 157 THR 80.2 75.0 52.1 158 GLY 34.8 99.9 57.2 159 VAL 116.3 97.9 47.1 160 HIS 63.8 42.4 70.6 161 ASN 76.3 63.1 63.0 162 LEU 143.7 97.2 36.4 163 TYR 100.2 55.3 59.9 164 LYS 58.6 33.8 81.1 165 MET 144.0 90.4 52.6 166 MET 100.1 62.8 63.8 167 ALA 13.3 18.3 83.5 168 ASN 49.2 40.7 65.9 169 GLY 5.0 14.4 78.5 170 ILE 66.4 46.3 65.3 171 LEU 147.8 100.0 36.6 172 LYS 56.7 32.7 69.9 173 VAL 116.1 97.8 42.0 174 PRO 99.3 79.8 59.8 175 ALA 72.6 100.0 40.4 176 ILE 143.5 100.0 40.7 177 ASN 120.9 100.0 41.5 178 VAL 117.2 98.6 50.2 179 ASN 119.1 98.5 60.1 180 ASP 66.1 59.8 61.5 181 SER 76.9 92.0 73.1 182 VAL 92.5 77.8 41.8 183 THR 105.5 98.7 47.8 184 LYS 167.3 96.5 61.9 185 SER 71.3 85.3 66.8 186 LYS 122.3 70.5 64.3 187 PHE 96.3 57.7 60.3 188 ASP 106.2 96.1 56.2 189 ASN 108.7 89.9 59.3 190 LEU 123.3 83.4 59.2 191 TYR 98.8 54.6 67.2 192 GLY 34.2 98.3 52.4 193 CYS 95.1 95.9 50.9 194 ARG 131.1 62.8 63.6 195 GLU 40.6 29.3 77.7 196 SER 82.0 98.1 56.3 197 LEU 147.8 100.0 32.3 198 ILE 129.2 90.0 34.3 199 ASP 60.6 54.8 70.4 200 GLY 34.8 100.0 60.8 201 ILE 143.5 100.0 28.6 202 LYS 112.1 64.6 63.6 203 ARG 99.8 47.8 74.0 204 ALA 70.7 97.3 46.4 205 THR 97.2 90.9 37.9 206 ASP 22.8 20.6 78.9 207 VAL 86.9 73.2 53.2 208 MET 40.0 25.1 80.6 209 ILE 142.5 99.3 33.0 210 ALA 41.2 56.8 63.2 211 GLY 0.0 0.0 83.8 212 LYS 119.7 69.0 60.3 213 VAL 104.7 88.1 59.4 214 ALA 72.6 100.0 39.9 215 VAL 118.5 99.7 40.6 216 VAL 118.8 100.0 43.6 217 ALA 70.2 96.7 58.1 218 GLY 24.1 69.4 70.5 219 TYR 171.1 94.5 44.2 220 GLY 3.8 10.8 83.7 221 ASP 76.3 69.0 59.1 222 VAL 87.1 73.3 49.1 223 GLY 34.8 100.0 55.4 224 LYS 129.4 74.6 63.6 225 GLY 34.8 100.0 60.9 226 CYS 99.2 100.0 33.7 227 ALA 72.6 100.0 42.5 228 GLN 88.1 59.3 71.0 229 ALA 64.7 89.2 55.3 230 LEU 147.8 100.0 25.2 231 ARG 119.5 57.2 66.7 232 GLY 0.0 0.0 80.4 233 PHE 73.3 44.0 65.8 234 GLY 5.5 15.8 75.9 235 ALA 72.6 100.0 55.5 236 ARG 89.2 42.7 71.3 237 VAL 118.5 99.7 38.1 238 ILE 142.2 99.1 53.9 239 ILE 143.5 100.0 34.2 240 THR 94.6 88.5 46.4 241 GLU 120.0 86.6 48.3 242 ILE 0.0 0.0 86.2 243 ASP 56.3 51.0 64.4 244 PRO 30.2 24.3 77.5 245 ILE 17.0 11.8 80.5 246 ASN 91.2 75.5 68.4 247 ALA 45.0 62.0 58.9 248 LEU 34.6 23.4 73.8 249 GLN 80.4 54.1 63.2 250 ALA 72.6 100.0 40.3 251 ALA 34.1 47.0 71.6 252 MET 34.6 21.7 77.3 253 GLU 58.5 42.2 82.8 254 GLY 4.0 11.6 83.8 255 TYR 172.4 95.3 50.7 256 GLU 56.7 40.9 74.3 257 VAL 103.9 87.5 53.5 258 THR 67.8 63.5 57.1 259 THR 31.8 29.7 64.0 260 MET 149.2 93.6 39.5 261 ASP 45.3 41.0 74.0 262 GLU 49.8 35.9 76.1 263 ALA 70.1 96.5 44.4 264 CYS 97.4 98.2 38.4 265 LYS 93.3 53.8 81.1 266 GLU 80.5 58.1 68.8 267 GLY 34.8 100.0 49.4 268 ASN 90.8 75.1 50.0 269 ILE 143.2 99.8 29.8 270 PHE 166.4 99.8 38.1 271 VAL 118.8 100.0 34.5 272 THR 106.9 100.0 38.2 273 THR 106.2 99.3 42.9 274 THR 78.6 73.5 52.8 275 GLY 10.2 29.3 80.8 276 CYS 34.9 35.2 62.1 277 VAL 43.7 36.8 64.1 278 ASP 25.8 23.4 67.8 279 ILE 116.1 80.9 51.7 280 ILE 143.4 99.9 32.4 281 LEU 118.5 80.1 65.7 282 GLY 34.3 98.6 46.5 283 ARG 78.9 37.8 74.4 284 HIS 146.4 97.5 44.7 285 PHE 166.8 100.0 28.8 286 GLU 53.9 38.9 68.0 287 GLN 65.0 43.7 72.2 288 MET 159.4 100.0 35.4 289 LYS 89.2 51.5 77.6 290 ASP 66.6 60.3 75.3 291 ASP 70.6 63.9 69.3 292 ALA 72.4 99.7 48.6 293 ILE 137.1 95.5 38.5 294 VAL 118.8 100.0 26.3 295 CYS 99.1 99.9 32.3 296 ASN 120.9 100.0 52.5 297 ILE 140.3 97.8 37.5 298 GLY 27.6 79.3 74.3 299 HIS 137.3 91.4 53.3 300 PHE 105.5 63.2 69.3 301 ASP 73.8 66.8 69.2 302 VAL 64.9 54.6 69.5 303 GLU 138.1 99.6 55.6 304 ILE 142.9 99.6 44.5 305 ASP 72.2 65.3 50.0 306 VAL 97.3 81.9 53.0 307 LYS 63.1 36.4 80.0 308 TRP 163.3 79.7 57.2 309 LEU 147.8 100.0 24.5 310 ASN 75.5 62.4 63.8 311 GLU 10.9 7.9 84.3 312 ASN 70.2 58.0 70.0 313 ALA 69.8 96.1 63.4 314 VAL 51.0 42.9 61.5 315 GLU 51.9 37.4 63.6 316 LYS 102.2 58.9 69.8 317 VAL 45.5 38.3 76.0 318 ASN 56.9 47.1 74.1 319 ILE 77.4 54.0 54.1 320 LYS 78.9 45.5 71.1 321 PRO 25.8 20.7 79.4 322 GLN 123.0 82.8 41.9 323 VAL 116.1 97.7 41.1 324 ASP 99.9 90.4 53.1 325 ARG 144.4 69.1 58.1 326 TYR 179.3 99.1 44.3 327 LEU 103.8 70.2 60.4 328 LEU 146.4 99.0 47.0 329 LYS 56.5 32.6 79.3 330 ASN 78.0 64.5 69.4 331 GLY 4.3 12.3 79.2 332 ARG 128.9 61.7 71.4 333 ARG 116.2 55.6 75.3 334 ILE 143.5 100.0 37.3 335 ILE 121.8 84.9 45.9 336 LEU 147.3 99.7 36.8 337 LEU 147.8 100.0 33.9 338 ALA 72.6 100.0 41.0 339 GLU 71.4 51.5 68.3 340 GLY 34.2 98.2 49.0 341 ARG 162.1 77.6 65.4 342 LEU 139.3 94.2 63.2 343 VAL 118.8 100.0 36.2 344 ASN 113.5 93.9 42.7 345 LEU 127.3 86.1 55.0 346 GLY 34.3 98.5 54.9 347 CYS 90.1 90.8 50.6 348 ALA 69.0 95.0 65.6 349 MET 81.4 51.1 76.3 350 GLY 32.8 94.4 58.8 351 HIS 130.9 87.1 51.7 352 PRO 71.8 57.7 67.2 353 SER 69.8 83.5 48.2 354 PHE 121.6 72.9 48.7 355 VAL 101.7 85.6 48.0 356 MET 134.1 84.1 56.6 357 SER 83.6 100.0 52.7 358 ASN 111.7 92.4 46.9 359 SER 83.6 100.0 51.9 360 PHE 164.3 98.5 37.9 361 THR 105.7 98.8 38.3 362 ASN 119.4 98.8 44.9 363 GLN 148.6 100.0 37.6 364 VAL 118.8 100.0 29.4 365 MET 140.0 87.8 36.1 366 ALA 72.6 100.0 45.5 367 GLN 148.6 100.0 37.6 368 ILE 129.0 89.9 38.4 369 GLU 121.5 87.7 47.5 370 LEU 147.1 99.5 43.4 371 TRP 180.0 87.8 58.7 372 THR 59.5 55.6 61.0 373 HIS 81.1 54.0 63.9 374 PRO 74.4 59.8 72.3 375 ASP 5.2 4.7 74.6 376 LYS 76.0 43.8 70.0 377 TYR 171.8 94.9 44.5 378 PRO 30.8 24.7 82.9 379 VAL 57.2 48.1 64.4 380 GLY 28.0 80.4 49.0 381 VAL 114.5 96.4 38.9 382 HIS 111.0 73.9 55.4 383 PHE 68.4 41.0 82.2 384 LEU 144.4 97.7 45.3 385 PRO 70.6 56.7 68.3 386 LYS 145.4 83.8 62.1 387 LYS 66.6 38.4 68.0 388 LEU 101.3 68.6 48.2 389 ASP 103.2 93.4 56.1 390 GLU 105.2 75.9 56.4 391 ALA 36.0 49.6 65.6 392 VAL 118.6 99.8 48.2 393 ALA 43.7 60.1 60.3 394 GLU 46.5 33.5 66.3 395 ALA 59.2 81.5 65.8 396 HIS 141.9 94.5 55.7 397 LEU 107.1 72.5 48.8 398 GLY 0.0 0.0 81.6 399 LYS 112.1 64.7 65.6 400 LEU 62.8 42.5 64.4 401 ASN 12.4 10.2 84.3 402 VAL 58.7 49.4 61.1 403 LYS 11.0 6.4 91.4 404 LEU 54.2 36.7 67.0 405 THR 0.0 0.0 90.3 406 LYS 47.5 27.4 80.0 407 LEU 116.6 78.9 49.7 408 THR 31.6 29.5 76.6 409 GLU 22.0 15.9 80.4 410 LYS 13.7 7.9 83.8 411 GLN 64.4 43.3 66.8 412 ALA 66.7 91.9 56.4 413 GLN 35.6 24.0 80.8 414 TYR 19.5 10.8 82.6 415 LEU 74.7 50.5 56.7 416 GLY 4.6 13.1 83.5 417 MET 126.9 79.6 54.3 418 PRO 49.7 39.9 71.7 419 ILE 90.9 63.4 60.4 420 ASN 19.1 15.8 72.9 421 GLY 28.6 82.2 44.6 422 PRO 81.3 65.3 62.1 423 PHE 98.3 58.9 65.8 424 LYS 103.9 59.9 54.7 425 PRO 73.5 59.1 66.3 426 ASP 0.0 0.0 84.1 427 HIS 15.2 10.1 77.7 428 TYR 85.5 47.3 60.3 429 ARG 12.9 6.2 90.9 430 TYR 128.0 70.7 49.0