Protein Data Bank File : 1aln Title : HYDROLASE 02-JUN-97 1ALN Number of Amino Acid Residues : 294 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 MET HIS PRO ARG PHE GLN THR ALA PHE ALA 10 GLN LEU ALA ASP ASN LEU GLN SER ALA LEU 20 GLU PRO ILE LEU ALA ASP LYS TYR PHE PRO 30 ALA LEU LEU THR GLY GLU GLN VAL SER SER 40 LEU LYS SER ALA THR GLY LEU ASP GLU ASP 50 ALA LEU ALA PHE ALA LEU LEU PRO LEU ALA 60 ALA ALA CYS ALA ARG THR PRO LEU SER ASN 70 PHE ASN VAL GLY ALA ILE ALA ARG GLY VAL 80 SER GLY THR TRP TYR PHE GLY ALA ASN MET 90 GLU PHE ILE GLY ALA THR MET GLN GLN THR 100 VAL HIS ALA GLU GLN SER ALA ILE SER HIS 110 ALA TRP LEU SER GLY GLU LYS ALA LEU ALA 120 ALA ILE THR VAL ASN TYR THR PRO CYS GLY 130 HIS CYS ARG GLN PHE MET ASN GLU LEU ASN 140 SER GLY LEU ASP LEU ARG ILE HIS LEU PRO 150 GLY ARG GLU ALA HIS ALA LEU ARG ASP TYR 160 LEU PRO ASP ALA PHE GLY PRO LYS ASP LEU 170 GLU ILE LYS THR LEU LEU MET ASP GLU GLN 180 ASP HIS GLY TYR ALA LEU THR GLY ASP ALA 190 LEU SER GLN ALA ALA ILE ALA ALA ALA ASN 200 ARG SER HIS MET PRO TYR SER LYS SER PRO 210 SER GLY VAL ALA LEU GLU CYS LYS ASP GLY 220 ARG ILE PHE SER GLY SER TYR ALA GLU ASN 230 ALA ALA PHE ASN PRO THR LEU PRO PRO LEU 240 GLN GLY ALA LEU ILE LEU LEU ASN LEU LYS 250 GLY TYR ASP TYR PRO ASP ILE GLN ARG ALA 260 VAL LEU ALA GLU LYS ALA ASP ALA PRO LEU 270 ILE GLN TRP ASP ALA THR SER ALA THR LEU 280 LYS ALA LEU GLY CYS HIS SER ILE ASP ARG 290 VAL LEU LEU ALA Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 MET 0.0 136.7 175.6 179.5 -175.6 -77.4 2 HIS -63.9 128.4 -172.3 -167.3 -57.5 3 PRO -54.0 -26.8 179.6 19.3 -39.3 4 ARG -58.7 -30.0 179.3 62.7 -177.2 176.4 178.2 5 PHE -81.9 -14.1 -174.8 -62.9 -48.8 6 GLN -49.5 -55.4 -179.3 -57.1 -46.4 125.4 7 THR -69.8 -40.7 -179.4 -40.2 8 ALA -56.1 -51.4 179.9 9 PHE -59.7 -40.6 179.1 -171.1 86.4 10 ALA -61.7 -28.8 179.3 11 GLN -84.3 -1.0 -176.5 -60.6 176.0 103.6 12 LEU -83.9 157.9 178.4 -61.3 177.2 13 ALA -63.3 142.7 -176.4 14 ASP -51.3 -51.1 -179.7 -64.8 11.9 15 ASN -66.7 -28.1 176.7 53.3 -18.1 16 LEU -74.3 -43.1 174.7 -175.7 60.0 17 GLN -55.8 -46.7 176.8 -67.3 -167.8 10.8 18 SER -57.6 -47.6 -179.8 -61.4 19 ALA -67.4 -33.2 -176.6 20 LEU -82.7 -34.6 -177.0 -86.9 166.6 21 GLU -47.1 -40.2 166.1 -160.8 169.2 69.7 22 PRO -59.1 -43.1 -178.4 23.8 -40.0 23 ILE -67.7 -51.0 -179.8 -59.4 174.6 24 LEU -77.8 7.9 -176.0 -97.5 57.2 25 ALA -63.6 -49.4 -178.5 26 ASP -65.9 129.5 -179.8 -177.1 25.4 27 LYS -60.3 -30.7 179.5 -141.1 -160.8 108.0 -51.1 28 TYR -104.0 38.6 172.3 -69.5 -73.2 29 PHE -55.3 129.5 -168.5 152.5 60.6 30 PRO -77.7 21.0 -177.2 37.9 -46.2 31 ALA 44.2 50.6 -173.1 32 LEU -160.3 154.1 179.0 148.2 170.0 33 LEU -137.6 134.0 179.9 -68.2 167.6 34 THR -81.6 167.2 177.3 58.9 35 GLY -53.4 -41.2 -179.8 36 GLU -61.8 -42.4 177.2 -61.5 71.4 38.7 37 GLN -67.9 -36.3 -179.2 -74.4 171.3 -57.1 38 VAL -73.4 -33.1 174.7 -51.9 39 SER -57.7 -46.5 178.4 -69.6 40 SER -59.8 -41.5 -179.3 -55.1 41 LEU -65.2 -39.5 175.9 -67.3 170.3 42 LYS -63.2 -47.8 177.1 -68.9 -163.1 -63.8 162.4 43 SER -61.9 -34.6 179.3 -58.4 44 ALA -76.0 -17.8 -174.5 45 THR -123.6 -24.3 -174.8 60.1 46 GLY 84.5 -1.6 178.6 47 LEU -68.4 144.5 171.8 -95.6 26.4 48 ASP -88.7 175.0 -177.0 61.3 -11.3 49 GLU -53.2 -48.6 180.0 -84.4 -177.9 41.7 50 ASP -65.4 -38.8 -179.9 -61.6 -13.6 51 ALA -71.9 -31.9 177.4 52 LEU -67.0 -46.4 178.0 176.3 59.6 53 ALA -55.5 -48.1 174.6 54 PHE -61.1 -39.1 -178.5 -69.7 -51.1 55 ALA -68.4 -28.8 178.3 56 LEU -82.3 -18.6 179.2 -73.8 -176.6 57 LEU -48.7 -32.9 171.4 -74.0 169.2 58 PRO -59.5 -30.4 178.1 -34.6 46.6 59 LEU -76.6 -38.0 176.0 -61.9 179.1 60 ALA -62.9 -43.9 179.1 61 ALA -65.9 -26.1 177.4 62 ALA -66.1 -17.0 176.4 63 CYS -89.7 4.8 -177.7 -58.9 64 ALA -74.4 143.7 177.6 65 ARG -114.6 94.6 -173.6 -64.8 -63.3 -146.5 114.9 66 THR -123.5 62.5 178.2 59.1 67 PRO -59.1 -31.0 177.6 31.2 -45.6 68 LEU -84.0 -52.4 -171.5 -75.7 -45.1 69 SER -89.6 -29.8 -169.8 61.1 70 ASN 55.3 28.8 -179.5 -69.6 -61.2 71 PHE -113.2 94.9 -178.4 -174.8 76.5 72 ASN -84.9 125.9 179.9 -61.3 -81.5 73 VAL -125.3 132.2 176.3 -174.7 74 GLY -112.8 148.7 177.8 75 ALA -137.2 154.1 177.6 76 ILE -135.3 117.8 179.1 -67.4 169.7 77 ALA -96.5 127.2 -177.8 78 ARG -104.0 112.3 -178.2 -53.1 -170.1 -146.7 160.6 79 GLY -71.5 160.2 179.4 80 VAL -73.2 -14.0 177.9 97.9 81 SER -79.0 -22.3 -172.7 64.0 82 GLY 107.2 -9.5 179.7 83 THR -80.8 142.5 178.4 -50.2 84 TRP -107.8 125.7 -180.0 -75.2 17.1 85 TYR -108.1 126.2 175.3 -57.6 86.8 86 PHE -78.5 162.7 179.4 -68.1 9.6 87 GLY -158.2 147.7 180.0 88 ALA -150.1 157.6 -176.6 89 ASN -81.9 148.8 -178.3 53.8 -43.7 90 MET -130.2 134.0 176.8 -60.5 171.2 87.6 91 GLU -124.1 138.3 -174.2 -55.6 157.3 -8.2 92 PHE -114.9 107.4 173.7 -54.8 -71.4 93 ILE -58.5 136.3 -178.9 -60.0 -66.0 94 GLY 89.8 -10.0 177.7 95 ALA -101.9 -146.6 -179.9 96 THR -123.0 172.4 178.0 64.9 97 MET -66.0 -31.3 178.1 -76.0 -70.1 -169.7 98 GLN -65.0 -12.2 179.2 -73.9 66.2 48.7 99 GLN -91.9 -5.6 180.0 -62.2 -52.9 120.4 100 THR -58.0 144.0 172.6 -51.3 101 VAL -119.0 140.3 178.2 -21.9 102 HIS -91.1 156.7 179.7 -71.5 -108.3 103 ALA -54.5 -38.1 178.0 104 GLU -67.3 -40.0 179.8 -59.3 89.4 -61.5 105 GLN -66.5 -39.0 177.8 -72.4 174.0 -69.4 106 SER -60.0 -50.8 -179.7 -179.9 107 ALA -67.2 -40.7 -179.7 108 ILE -70.5 -40.2 177.8 -67.1 162.9 109 SER -67.1 -39.5 173.5 -59.4 110 HIS -53.4 -53.1 177.6 -166.5 -177.5 111 ALA -59.5 -53.6 -177.3 112 TRP -57.8 -51.1 -179.6 169.8 46.5 113 LEU -63.0 -32.9 175.7 -99.3 20.2 114 SER -73.1 -4.8 179.5 -63.0 115 GLY 99.8 8.1 177.2 116 GLU -65.4 133.3 -177.1 -172.5 65.6 55.2 117 LYS -84.3 -20.0 179.6 -84.9 -169.9 56.4 59.2 118 ALA -172.8 158.2 179.3 119 LEU -108.5 152.5 177.3 -62.3 -173.7 120 ALA -104.1 -38.3 179.4 121 ALA -157.6 168.3 172.2 122 ILE -139.5 141.1 -179.4 -177.2 151.5 123 THR -117.6 129.6 -176.1 -57.8 124 VAL -133.0 148.1 179.4 -160.6 125 ASN -90.7 10.1 174.2 60.0 -29.7 126 TYR -148.3 147.2 -179.0 -127.6 86.1 127 THR -56.4 137.0 -179.0 -166.2 128 PRO -60.0 143.7 176.3 -11.8 33.3 129 CYS -79.7 166.9 -177.7 74.4 130 GLY -67.5 -28.3 178.1 131 HIS -62.3 -41.1 179.9 155.6 -96.9 132 CYS -79.4 -35.9 171.1 -69.5 133 ARG -54.9 -39.0 177.4 -54.6 -179.9 -172.1 -168.8 134 GLN -71.8 -40.8 176.2 -171.7 63.7 56.7 135 PHE -55.1 -50.4 179.4 -167.0 71.0 136 MET -60.7 -28.5 179.6 -67.4 -177.3 -119.2 137 ASN -76.9 1.8 177.0 -162.6 32.4 138 GLU -85.0 -23.5 -174.6 -163.4 65.0 19.8 139 LEU -66.2 154.0 175.9 -82.9 28.4 140 ASN -62.5 -22.4 173.1 52.4 16.6 141 SER -67.3 -15.0 178.0 31.2 142 GLY 55.2 -143.2 -175.6 143 LEU -82.9 -4.6 176.1 -71.0 164.9 144 ASP -81.3 -10.1 -179.8 -71.0 -46.7 145 LEU -57.0 132.6 179.2 -178.6 77.0 146 ARG -84.6 131.4 -179.2 -82.7 159.8 55.3 -146.0 147 ILE -110.8 130.3 177.4 -46.8 -59.3 148 HIS -118.6 128.4 -179.0 -65.7 -101.0 149 LEU -128.0 145.7 177.7 -60.8 171.6 150 PRO -54.8 127.4 175.4 -32.3 46.4 151 GLY 70.8 28.5 177.5 152 ARG -140.2 162.3 177.6 -77.4 123.7 172.1 -178.6 153 GLU -75.0 142.6 177.9 -17.4 84.7 -85.9 154 ALA -63.3 152.0 178.3 155 HIS -144.9 157.3 175.8 -65.9 104.2 156 ALA -78.4 168.3 179.6 157 LEU -64.4 -33.6 -179.7 179.5 60.5 158 ARG -57.4 -25.4 179.4 65.4 -176.5 68.9 -109.3 159 ASP -77.6 -27.8 -179.9 -66.4 -29.2 160 TYR -91.8 -15.9 177.7 -77.3 -84.1 161 LEU -130.8 72.9 174.7 -161.5 67.5 162 PRO -55.7 140.4 177.5 -21.9 40.2 163 ASP 48.1 56.3 -173.2 -162.5 5.9 164 ALA -71.2 146.3 171.1 165 PHE -95.5 147.2 179.0 180.0 82.6 166 GLY -176.1 -171.2 -173.8 167 PRO -46.9 -44.1 178.5 -31.0 42.1 168 LYS -49.9 -39.8 179.5 43.2 -70.2 -166.5 -51.0 169 ASP -61.9 -30.1 178.0 -65.8 -79.3 170 LEU -104.9 22.5 179.7 -61.3 -170.1 171 GLU 57.2 33.1 179.6 -74.3 163.5 2.3 172 ILE -95.8 132.3 -178.9 -62.5 -59.7 173 LYS -114.6 -8.1 174.7 65.8 -66.5 104.6 -125.9 174 THR -100.0 121.1 -171.4 10.6 175 LEU -105.3 155.9 179.2 -56.2 174.7 176 LEU -62.4 136.5 -175.7 -179.4 56.3 177 MET 86.2 1.9 169.3 -70.0 -155.0 -123.6 178 ASP -75.3 165.5 -176.8 -75.3 -6.8 179 GLU -73.7 119.9 177.4 -52.9 -67.8 -83.8 180 GLN -133.5 142.6 176.5 -61.5 -153.3 -119.8 181 ASP -154.0 113.3 -174.7 170.4 18.4 182 HIS -90.0 -7.3 169.5 -61.2 -58.4 183 GLY 79.5 25.4 175.1 184 TYR -79.1 142.6 -179.7 -69.1 -70.4 185 ALA -74.6 138.0 -178.6 186 LEU -88.1 135.5 179.8 -48.2 -147.6 187 THR -145.0 173.9 177.1 43.9 188 GLY 86.7 -164.9 179.7 189 ASP -78.3 -172.3 -179.1 69.8 -65.2 190 ALA -54.9 -44.3 -178.6 191 LEU -69.6 -42.2 178.9 -153.7 60.5 192 SER -62.8 -39.9 -179.4 -52.6 193 GLN -67.8 -38.0 175.8 -70.6 -164.2 -25.3 194 ALA -60.7 -46.3 175.8 195 ALA -59.9 -47.9 179.5 196 ILE -66.1 -35.4 -179.0 -59.0 178.8 197 ALA -67.9 -40.1 175.2 198 ALA -59.9 -42.0 177.0 199 ALA -64.1 -30.8 -179.5 200 ASN -68.5 -24.3 178.6 -92.7 -31.2 201 ARG -92.3 -3.0 -170.3 -58.1 -125.6 -65.0 140.8 202 SER -66.6 149.5 178.9 54.5 203 HIS -98.2 105.5 -178.1 179.6 59.9 204 MET -141.6 49.4 -173.5 39.6 68.7 153.7 205 PRO -69.5 -19.5 -175.5 36.0 -40.6 206 TYR -87.8 -43.5 179.3 -52.4 -71.6 207 SER -105.6 -13.3 -171.3 61.5 208 LYS 55.4 36.4 176.9 -87.7 118.6 171.1 56.8 209 SER -111.2 95.3 178.7 -48.8 210 PRO -72.6 141.8 170.9 33.8 -40.1 211 SER -154.3 162.9 179.5 57.9 212 GLY -156.2 145.6 177.4 213 VAL -122.0 146.0 177.4 163.5 214 ALA -134.0 136.4 -178.0 215 LEU -115.7 130.8 178.3 -54.4 179.8 216 GLU -104.8 122.9 177.8 -174.2 -178.7 89.1 217 CYS -82.1 168.7 179.0 -75.3 218 LYS -59.9 -36.1 176.2 -80.7 171.4 -176.7 171.3 219 ASP -84.8 15.2 177.5 67.6 1.9 220 GLY 82.5 -2.7 175.5 221 ARG -66.1 135.0 176.9 -175.3 106.1 98.1 109.6 222 ILE -107.0 136.5 174.2 -67.1 174.7 223 PHE -119.4 126.0 -177.6 -72.1 -67.9 224 SER -119.3 151.3 179.5 -26.5 225 GLY -133.1 135.4 175.5 226 SER -100.0 156.4 -178.9 -50.8 227 TYR -81.2 132.4 178.3 178.3 53.1 228 ALA -130.5 105.8 177.2 229 GLU -72.5 166.4 179.8 -74.0 -171.7 -23.3 230 ASN -135.5 144.7 -178.7 -172.7 -94.6 231 ALA -61.3 -31.8 176.6 232 ALA -84.6 15.1 179.9 233 PHE 57.3 -69.1 -176.2 -75.1 26.3 234 ASN -55.3 -34.4 175.2 -54.0 63.4 235 PRO -67.2 -2.8 174.0 -25.4 40.8 236 THR -44.4 138.4 176.5 -73.1 237 LEU -95.8 117.2 174.4 -165.5 71.2 238 PRO -61.3 155.9 177.4 -13.3 31.3 239 PRO -57.5 -42.0 -177.3 -8.5 23.4 240 LEU -57.3 -46.3 -175.6 -145.3 -148.7 241 GLN -57.8 -38.7 177.1 -91.5 65.7 19.7 242 GLY -56.9 -48.9 -179.6 243 ALA -62.4 -43.6 179.3 244 LEU -69.5 -27.6 177.7 -69.1 169.5 245 ILE -66.9 -52.5 179.8 -82.1 164.7 246 LEU -61.1 -44.9 179.5 -64.9 179.7 247 LEU -56.4 -47.1 -178.5 176.2 129.0 248 ASN -70.5 -41.8 -177.0 169.3 -115.0 249 LEU -69.2 -32.0 -179.0 -69.0 172.0 250 LYS -81.1 7.1 172.8 -60.2 -48.4 -179.3 173.4 251 GLY 102.5 -2.6 178.4 252 TYR -89.8 175.1 -177.8 -67.4 80.0 253 ASP -138.5 158.6 -176.1 -165.5 -12.5 254 TYR -53.1 -37.2 172.3 -47.4 -52.0 255 PRO -51.4 -25.5 179.3 -39.1 46.3 256 ASP -100.8 15.3 171.3 23.6 80.2 257 ILE -75.8 128.1 178.3 -62.2 166.7 258 GLN -98.6 -53.7 177.3 -178.8 161.0 -104.1 259 ARG -146.0 164.3 -179.0 61.9 -174.4 -125.3 80.8 260 ALA -138.9 154.6 176.8 261 VAL -133.8 140.9 174.8 166.0 262 LEU -117.9 129.9 177.0 159.4 72.5 263 ALA -112.0 134.2 176.8 264 GLU -164.8 166.2 177.5 66.4 -174.2 -23.9 265 LYS -79.1 148.3 -177.3 -58.8 -145.1 -63.5 142.9 266 ALA -78.7 -32.9 -178.9 267 ASP -90.3 10.9 -177.8 63.9 -68.2 268 ALA -70.5 143.5 176.4 269 PRO -61.8 -27.1 176.4 24.0 -38.9 270 LEU -116.8 145.7 -173.7 -61.5 175.8 271 ILE -127.6 123.7 -177.4 -67.5 -64.4 272 GLN -89.4 -13.2 -172.1 -50.8 -56.1 -33.8 273 TRP -52.3 -50.1 -176.3 175.8 -112.2 274 ASP -65.3 -42.8 -178.6 -47.7 -86.0 275 ALA -72.4 -34.6 175.3 276 THR -61.4 -54.9 -179.0 -54.6 277 SER -56.4 -50.8 -175.9 -45.4 278 ALA -59.1 -48.2 -178.2 279 THR -68.1 -38.8 -178.9 -49.6 280 LEU -66.2 -38.3 177.9 -87.3 171.7 281 LYS -65.5 -35.5 176.9 -74.5 173.6 166.9 69.3 282 ALA -64.5 -32.2 177.9 283 LEU -83.9 -9.5 175.8 -64.4 -178.4 284 GLY 105.2 -3.4 178.3 285 CYS -84.1 138.4 177.8 172.9 286 HIS -125.7 6.9 -176.8 -72.3 -65.3 287 SER -110.2 90.0 -174.4 -28.9 288 ILE -121.7 126.5 175.2 -52.5 148.7 289 ASP -119.3 160.5 179.3 -51.1 -27.1 290 ARG -121.5 139.9 179.8 -178.3 177.4 161.0 -176.9 291 VAL -116.8 137.3 -180.0 165.2 292 LEU -99.4 131.6 179.8 -87.8 39.5 293 LEU -86.4 142.5 174.5 -53.7 176.9 294 ALA -150.7 -45.6 0.0 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 MET 58.910 43.085 17.862 2 HIS 57.124 46.313 16.920 3 PRO 55.245 47.238 20.125 4 ARG 51.825 47.271 18.400 5 PHE 52.026 43.481 18.241 6 GLN 52.860 42.977 22.003 7 THR 49.366 42.323 23.486 8 ALA 48.084 40.518 20.390 9 PHE 51.059 38.137 20.438 10 ALA 50.669 37.540 24.178 11 GLN 47.157 36.249 23.577 12 LEU 48.341 33.656 20.980 13 ALA 48.598 29.898 21.357 14 ASP 52.013 28.665 22.513 15 ASN 53.053 26.656 19.457 16 LEU 51.895 29.558 17.230 17 GLN 53.851 32.116 19.329 18 SER 56.888 29.866 18.895 19 ALA 56.519 29.681 15.103 20 LEU 55.886 33.428 14.725 21 GLU 58.437 34.836 17.130 22 PRO 61.346 34.685 14.569 23 ILE 59.139 36.395 11.944 24 LEU 57.774 39.126 14.237 25 ALA 61.237 39.754 15.740 26 ASP 61.969 42.559 13.331 27 LYS 60.349 45.920 14.087 28 TYR 59.764 46.392 10.397 29 PHE 58.151 42.992 9.793 30 PRO 56.342 43.775 6.490 31 ALA 52.783 42.750 7.627 32 LEU 52.798 39.989 5.026 33 LEU 53.699 36.235 5.056 34 THR 55.126 34.260 2.125 35 GLY 53.879 30.796 1.105 36 GLU 56.932 29.286 2.788 37 GLN 56.058 31.072 6.004 38 VAL 52.397 29.926 6.040 39 SER 53.616 26.326 5.449 40 SER 55.849 26.556 8.472 41 LEU 53.049 27.929 10.598 42 LYS 50.763 25.091 9.500 43 SER 53.444 22.469 10.425 44 ALA 54.046 24.088 13.814 45 THR 50.377 24.211 14.755 46 GLY 48.391 21.720 12.720 47 LEU 46.094 24.593 11.640 48 ASP 44.799 24.589 8.099 49 GLU 44.856 27.776 6.011 50 ASP 41.463 29.136 6.998 51 ALA 41.978 28.483 10.705 52 LEU 45.484 29.974 10.600 53 ALA 44.107 33.122 8.890 54 PHE 41.541 33.454 11.698 55 ALA 44.193 32.877 14.369 56 LEU 46.336 35.593 12.831 57 LEU 43.570 38.257 12.587 58 PRO 44.642 39.769 15.997 59 LEU 48.037 40.726 14.550 60 ALA 46.321 42.336 11.492 61 ALA 43.896 44.185 13.756 62 ALA 46.926 45.360 15.772 63 CYS 47.890 47.565 12.773 64 ALA 44.638 49.564 12.922 65 ARG 44.718 53.283 13.384 66 THR 41.394 54.104 14.929 67 PRO 41.324 57.484 16.765 68 LEU 37.567 58.074 16.139 69 SER 36.041 54.610 16.580 70 ASN 38.531 52.573 18.628 71 PHE 37.077 49.760 16.603 72 ASN 40.114 47.897 15.303 73 VAL 39.424 45.550 12.370 74 GLY 42.011 43.286 10.741 75 ALA 41.801 41.594 7.318 76 ILE 44.156 39.139 5.518 77 ALA 44.089 38.951 1.718 78 ARG 45.388 35.685 0.380 79 GLY 47.093 36.109 -2.892 80 VAL 46.995 33.642 -5.687 81 SER 50.787 33.522 -5.221 82 GLY 50.402 32.122 -1.723 83 THR 51.469 35.372 0.004 84 TRP 49.156 36.603 2.713 85 TYR 48.832 40.400 3.046 86 PHE 47.596 41.961 6.313 87 GLY 45.319 44.978 6.261 88 ALA 43.757 47.125 8.960 89 ASN 41.447 50.150 9.035 90 MET 42.707 53.728 9.315 91 GLU 40.863 56.896 10.413 92 PHE 42.347 60.349 10.092 93 ILE 41.666 63.105 12.652 94 GLY 41.364 66.487 10.961 95 ALA 40.161 64.950 7.680 96 THR 36.642 63.755 6.666 97 MET 34.808 60.372 6.844 98 GLN 35.487 59.995 3.085 99 GLN 39.257 59.645 3.769 100 THR 38.787 56.498 5.958 101 VAL 40.278 53.227 4.719 102 HIS 38.617 49.960 5.678 103 ALA 40.524 46.835 6.672 104 GLU 39.460 45.116 3.466 105 GLN 40.607 48.036 1.288 106 SER 43.933 48.037 3.204 107 ALA 44.534 44.306 2.630 108 ILE 43.522 44.387 -1.071 109 SER 45.599 47.512 -1.771 110 HIS 48.565 45.942 0.071 111 ALA 48.293 42.921 -2.289 112 TRP 47.706 44.956 -5.520 113 LEU 50.477 47.445 -4.737 114 SER 52.873 44.628 -3.860 115 GLY 52.380 43.233 -7.404 116 GLU 49.865 40.449 -6.594 117 LYS 47.941 39.441 -9.701 118 ALA 44.718 38.168 -8.097 119 LEU 43.243 37.158 -4.751 120 ALA 41.826 33.788 -3.760 121 ALA 40.151 34.746 -0.505 122 ILE 40.018 37.428 2.200 123 THR 39.495 36.774 5.920 124 VAL 38.116 39.709 8.027 125 ASN 37.221 39.727 11.713 126 TYR 33.953 41.636 11.222 127 THR 31.401 41.327 8.447 128 PRO 32.133 43.591 5.450 129 CYS 30.314 46.878 5.119 130 GLY 28.443 47.434 1.827 131 HIS 31.128 49.944 0.724 132 CYS 33.776 47.146 0.863 133 ARG 31.518 44.550 -0.774 134 GLN 31.292 47.041 -3.643 135 PHE 35.093 47.653 -3.519 136 MET 35.694 43.922 -3.764 137 ASN 33.389 43.617 -6.820 138 GLU 35.858 45.804 -8.774 139 LEU 38.479 43.074 -8.667 140 ASN 39.306 40.693 -11.437 141 SER 38.139 37.966 -8.970 142 GLY 34.578 39.298 -9.379 143 LEU 31.775 37.773 -7.333 144 ASP 33.609 34.566 -6.838 145 LEU 36.039 35.951 -4.199 146 ARG 35.747 33.890 -0.979 147 ILE 35.090 35.888 2.197 148 HIS 35.890 34.180 5.541 149 LEU 34.430 35.634 8.763 150 PRO 34.780 34.303 12.331 151 GLY 32.170 31.748 13.137 152 ARG 30.509 31.554 9.720 153 GLU 30.632 29.339 6.699 154 ALA 32.794 30.829 3.915 155 HIS 30.842 32.465 1.080 156 ALA 31.578 33.964 -2.280 157 LEU 31.154 37.684 -2.693 158 ARG 27.941 37.026 -4.666 159 ASP 26.326 35.823 -1.463 160 TYR 27.112 39.039 0.374 161 LEU 26.188 41.303 -2.522 162 PRO 23.011 39.809 -4.110 163 ASP 22.072 41.360 -7.482 164 ALA 25.298 43.304 -7.614 165 PHE 26.232 46.481 -9.463 166 GLY 29.820 46.519 -10.821 167 PRO 32.088 47.212 -13.867 168 LYS 29.982 45.192 -16.339 169 ASP 27.074 47.567 -15.811 170 LEU 29.144 50.444 -17.171 171 GLU 30.597 48.235 -19.938 172 ILE 34.055 48.107 -18.357 173 LYS 36.155 45.091 -19.114 174 THR 39.493 45.959 -17.433 175 LEU 39.279 45.051 -13.781 176 LEU 41.272 46.062 -10.703 177 MET 44.431 43.916 -10.344 178 ASP 44.589 43.343 -14.117 179 GLU 47.840 44.378 -15.822 180 GLN 47.727 48.095 -16.497 181 ASP 50.513 50.426 -17.610 182 HIS 49.510 53.854 -18.912 183 GLY 52.923 54.708 -20.304 184 TYR 53.827 58.090 -18.816 185 ALA 57.511 58.835 -18.926 186 LEU 59.066 58.997 -15.503 187 THR 60.921 62.239 -14.796 188 GLY 62.099 64.338 -11.877 189 ASP 63.810 63.078 -8.769 190 ALA 63.313 59.725 -7.012 191 LEU 60.043 60.787 -5.433 192 SER 58.551 62.272 -8.609 193 GLN 59.386 59.134 -10.515 194 ALA 57.829 56.940 -7.807 195 ALA 54.666 59.048 -8.024 196 ILE 54.514 58.836 -11.854 197 ALA 55.186 55.077 -11.785 198 ALA 52.355 54.705 -9.279 199 ALA 50.144 56.751 -11.630 200 ASN 51.101 54.391 -14.454 201 ARG 49.502 51.454 -12.654 202 SER 46.240 53.230 -11.689 203 HIS 42.865 51.730 -12.346 204 MET 40.878 54.622 -13.765 205 PRO 38.489 53.436 -16.538 206 TYR 35.614 55.689 -15.504 207 SER 37.194 59.157 -15.426 208 LYS 40.498 58.466 -17.208 209 SER 42.295 60.598 -14.600 210 PRO 45.518 58.712 -13.600 211 SER 47.204 59.674 -10.377 212 GLY 49.752 58.356 -7.870 213 VAL 51.164 59.731 -4.604 214 ALA 54.614 58.869 -3.244 215 LEU 55.751 59.607 0.311 216 GLU 59.435 59.900 1.238 217 CYS 60.224 58.992 4.840 218 LYS 62.953 60.478 7.035 219 ASP 65.192 57.438 6.435 220 GLY 64.656 57.761 2.675 221 ARG 62.152 54.862 2.354 222 ILE 59.542 55.720 -0.354 223 PHE 55.918 54.457 -0.167 224 SER 53.727 54.930 -3.324 225 GLY 49.989 54.555 -3.889 226 SER 48.124 54.179 -7.162 227 TYR 44.620 55.430 -7.760 228 ALA 41.910 52.772 -7.933 229 GLU 38.460 53.732 -9.176 230 ASN 35.308 51.823 -8.440 231 ALA 32.171 51.487 -10.655 232 ALA 29.977 52.879 -7.867 233 PHE 32.420 55.842 -7.852 234 ASN 32.557 56.647 -4.092 235 PRO 34.363 53.376 -2.935 236 THR 37.351 54.543 -5.090 237 LEU 40.653 54.423 -3.227 238 PRO 42.435 57.819 -3.560 239 PRO 46.244 57.686 -4.370 240 LEU 47.258 59.052 -0.916 241 GLN 45.511 56.253 0.969 242 GLY 47.534 53.579 -0.888 243 ALA 50.780 55.213 0.265 244 LEU 49.521 55.583 3.808 245 ILE 48.305 51.970 3.905 246 LEU 51.829 50.793 2.988 247 LEU 53.545 53.228 5.385 248 ASN 51.501 52.057 8.337 249 LEU 51.594 48.319 7.565 250 LYS 55.358 48.359 7.036 251 GLY 55.946 49.676 10.557 252 TYR 56.243 53.477 10.091 253 ASP 54.173 56.350 11.549 254 TYR 52.992 59.703 10.210 255 PRO 55.784 61.689 12.007 256 ASP 58.401 60.262 9.699 257 ILE 56.831 61.259 6.409 258 GLN 59.304 63.863 5.184 259 ARG 57.869 65.036 1.843 260 ALA 55.201 63.822 -0.608 261 VAL 54.545 64.153 -4.312 262 LEU 51.248 63.725 -6.152 263 ALA 51.425 63.146 -9.921 264 GLU 48.269 63.754 -12.094 265 LYS 47.094 65.409 -15.372 266 ALA 46.138 69.090 -15.068 267 ASP 43.228 68.778 -17.449 268 ALA 41.811 65.590 -15.837 269 PRO 38.050 65.681 -15.003 270 LEU 38.751 64.648 -11.381 271 ILE 41.438 66.306 -9.275 272 GLN 43.159 64.731 -6.296 273 TRP 45.292 67.708 -5.333 274 ASP 43.047 69.322 -2.775 275 ALA 42.169 66.159 -0.781 276 THR 45.804 64.964 -0.859 277 SER 47.151 68.326 0.490 278 ALA 44.469 68.696 3.082 279 THR 44.765 65.204 4.532 280 LEU 48.595 65.301 4.538 281 LYS 48.572 68.678 6.332 282 ALA 46.152 67.183 8.870 283 LEU 48.706 64.451 9.373 284 GLY 51.443 67.042 9.765 285 CYS 53.266 66.811 6.423 286 HIS 53.623 70.219 4.794 287 SER 55.943 69.509 1.899 288 ILE 53.615 68.387 -0.859 289 ASP 54.522 68.902 -4.519 290 ARG 52.441 68.093 -7.543 291 VAL 53.933 66.706 -10.779 292 LEU 51.901 66.950 -14.033 293 LEU 51.517 63.969 -16.358 294 ALA 51.764 64.380 -20.127 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C C C C H H H H H H 10 H H H H H H H H H H 20 H/T T T T C C C C C C 30 S S S S/H H H H H H H 40 H H H H H H C H H H 50 H H H H H H H/H H H H 60 H H H 3 C T T T T S 70 S S S S S S S S S/T T 80 T T/S S S S S S S S S 90 S S/T T T T T T T T/S S 100 S S/H H H H H H H H H 110 H H H H H/S S S S/S S S 120 S/S S S S S/S S S S H H 130 H H H H H H H H C C 140 T T T T/S S S S S S S 150 S S S S C H H H H H 160 H H S S S S/H H H H 3 170 3/S S S S/S S S S S S S 180 S S S/S S S S S S S/H H 190 H H H H H H H H H H 200 H H C T T T T S S S 210 S S S S S S S/T T T T/S 220 S S S S S S S S S S/T 230 T T T C S S S S/H H H 240 H H H H H H H H H H 250 H C T T T T/S S S S/S S 260 S S S S S C C C S S 270 S S/H H H H H H H H H 280 H H H H/S S S S/S S S S 290 S S S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 g G G h H H H H H 10 h t h H H H H H H H 20 h g G G G g T T t 30 e E E h H H H H H H 40 H H H H H h h H H 50 H H H H H H H H H H 60 H h T t B t T T T t 70 e E E E E E E e 80 T t e E E E E E e B 90 t T T t g G G G g 100 B h H H H H H H H H 110 H H H h T t e E E 120 E E E E e S h H 130 H H H H H H h T B T 140 g G G G e E E E t T 150 T t E E H H H H 160 h T T t g G G G G 170 g t t B T t 180 S h H 190 H H H H H H H H H H 200 h t B t T T T t e 210 E E E E E E E e T t 220 e E E E E E e B t 230 T T t T T t B h H H 240 H H H H H H H H H h 250 T t g G G e E E E E 260 E E E E e T T t S S 270 h H H H H H H H H 280 H H H h t e E E E 290 E E e Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 MET 138.2 86.7 55.1 2 HIS 125.0 83.2 49.4 3 PRO 44.0 35.3 73.0 4 ARG 169.4 81.1 56.1 5 PHE 166.1 99.6 37.7 6 GLN 59.7 40.2 71.3 7 THR 8.1 7.5 78.8 8 ALA 66.2 91.1 58.1 9 PHE 147.9 88.7 41.6 10 ALA 21.7 29.9 76.5 11 GLN 38.6 26.0 76.9 12 LEU 137.8 93.2 47.4 13 ALA 18.0 24.7 77.0 14 ASP 0.0 0.0 86.8 15 ASN 54.3 44.9 68.3 16 LEU 143.9 97.4 33.6 17 GLN 105.4 70.9 62.9 18 SER 20.4 24.4 79.4 19 ALA 57.1 78.6 54.7 20 LEU 147.0 99.4 23.4 21 GLU 46.6 33.7 65.9 22 PRO 44.1 35.4 76.6 23 ILE 116.7 81.3 49.6 24 LEU 147.7 99.9 25.4 25 ALA 23.2 32.0 80.7 26 ASP 30.0 27.2 76.4 27 LYS 97.7 56.3 66.9 28 TYR 101.3 56.0 72.8 29 PHE 162.8 97.6 40.7 30 PRO 72.4 58.2 61.6 31 ALA 72.6 100.0 36.2 32 LEU 116.0 78.5 50.9 33 LEU 147.6 99.8 27.3 34 THR 56.8 53.2 67.7 35 GLY 19.1 54.8 65.4 36 GLU 10.1 7.3 80.9 37 GLN 98.3 66.1 53.6 38 VAL 110.2 92.7 43.9 39 SER 28.6 34.3 70.8 40 SER 22.8 27.2 75.9 41 LEU 147.5 99.8 31.5 42 LYS 111.7 64.4 69.8 43 SER 8.6 10.3 85.3 44 ALA 40.6 55.9 70.1 45 THR 104.2 97.4 51.7 46 GLY 0.0 0.0 87.9 47 LEU 95.3 64.5 57.7 48 ASP 21.9 19.8 76.1 49 GLU 74.2 53.5 63.8 50 ASP 66.6 60.2 74.5 51 ALA 37.5 51.6 65.5 52 LEU 147.8 100.0 31.2 53 ALA 72.6 100.0 49.5 54 PHE 116.1 69.6 57.6 55 ALA 43.9 60.4 58.6 56 LEU 147.8 100.0 24.9 57 LEU 142.6 96.5 43.2 58 PRO 73.3 58.8 67.9 59 LEU 147.7 100.0 26.9 60 ALA 72.6 100.0 48.4 61 ALA 59.9 82.5 65.8 62 ALA 56.0 77.1 61.3 63 CYS 98.0 98.8 51.7 64 ALA 72.6 100.0 63.1 65 ARG 147.8 70.8 65.3 66 THR 103.1 96.4 66.1 67 PRO 75.5 60.6 66.3 68 LEU 69.8 47.2 64.3 69 SER 46.3 55.4 70.8 70 ASN 24.5 20.3 89.6 71 PHE 70.5 42.2 66.4 72 ASN 64.2 53.1 73.7 73 VAL 103.5 87.2 53.1 74 GLY 34.8 100.0 50.2 75 ALA 72.6 100.0 37.4 76 ILE 143.5 100.0 34.1 77 ALA 72.6 100.0 37.9 78 ARG 198.3 94.9 56.1 79 GLY 34.8 100.0 62.3 80 VAL 48.0 40.4 70.0 81 SER 36.7 43.9 82.1 82 GLY 9.0 25.7 79.6 83 THR 85.0 79.5 56.7 84 TRP 201.1 98.1 34.6 85 TYR 170.6 94.3 50.5 86 PHE 166.0 99.5 31.0 87 GLY 34.8 100.0 52.6 88 ALA 72.5 99.8 57.0 89 ASN 107.1 88.6 52.4 90 MET 158.3 99.3 46.9 91 GLU 122.3 88.2 52.5 92 PHE 165.0 98.9 39.7 93 ILE 51.0 35.5 65.4 94 GLY 1.1 3.2 72.1 95 ALA 64.8 89.2 52.8 96 THR 28.4 26.6 77.5 97 MET 19.5 12.2 86.8 98 GLN 19.5 13.1 85.3 99 GLN 129.6 87.2 57.9 100 THR 79.7 74.6 62.9 101 VAL 118.8 100.0 41.8 102 HIS 96.1 64.0 52.9 103 ALA 72.6 100.0 51.2 104 GLU 130.9 94.4 29.8 105 GLN 145.0 97.6 41.9 106 SER 82.6 98.8 44.9 107 ALA 72.6 100.0 53.4 108 ILE 142.5 99.3 25.9 109 SER 82.3 98.4 37.0 110 HIS 150.2 100.0 44.6 111 ALA 72.6 100.0 36.6 112 TRP 197.0 96.1 50.5 113 LEU 140.2 94.9 52.7 114 SER 57.4 68.6 68.0 115 GLY 11.2 32.2 86.7 116 GLU 131.0 94.5 54.5 117 LYS 61.2 35.3 79.1 118 ALA 49.0 67.5 56.4 119 LEU 147.8 100.0 32.0 120 ALA 35.0 48.2 68.5 121 ALA 72.6 100.0 57.2 122 ILE 143.5 100.0 32.2 123 THR 106.9 100.0 46.1 124 VAL 118.4 99.7 43.1 125 ASN 86.2 71.3 50.0 126 TYR 61.8 34.2 67.3 127 THR 61.9 57.9 60.6 128 PRO 123.5 99.2 46.7 129 CYS 52.0 52.5 70.7 130 GLY 7.7 22.2 68.2 131 HIS 94.6 63.0 61.5 132 CYS 99.1 99.9 49.4 133 ARG 156.2 74.8 49.3 134 GLN 127.3 85.6 50.5 135 PHE 165.4 99.2 46.4 136 MET 159.4 100.0 25.6 137 ASN 120.0 99.3 47.7 138 GLU 138.0 99.6 55.8 139 LEU 147.8 100.0 42.2 140 ASN 99.6 82.4 59.8 141 SER 64.8 77.5 64.1 142 GLY 13.9 40.0 84.9 143 LEU 118.4 80.1 59.9 144 ASP 27.8 25.2 86.8 145 LEU 144.8 98.0 45.3 146 ARG 119.7 57.3 67.5 147 ILE 143.3 99.8 32.8 148 HIS 142.7 95.0 52.0 149 LEU 146.6 99.2 47.6 150 PRO 78.6 63.1 60.4 151 GLY 0.0 0.0 83.1 152 ARG 105.8 50.6 74.4 153 GLU 17.8 12.9 80.3 154 ALA 48.5 66.8 74.0 155 HIS 99.7 66.4 70.2 156 ALA 53.9 74.3 67.2 157 LEU 147.5 99.8 39.3 158 ARG 98.4 47.1 71.9 159 ASP 48.2 43.6 63.0 160 TYR 150.6 83.2 54.5 161 LEU 117.8 79.7 54.2 162 PRO 36.5 29.4 84.5 163 ASP 0.0 0.0 90.4 164 ALA 70.2 96.6 61.0 165 PHE 82.9 49.7 69.0 166 GLY 34.8 100.0 53.8 167 PRO 122.4 98.3 52.0 168 LYS 79.9 46.1 75.7 169 ASP 58.4 52.9 65.6 170 LEU 84.1 56.9 58.0 171 GLU 0.0 0.0 89.1 172 ILE 123.6 86.1 59.8 173 LYS 40.9 23.6 77.7 174 THR 58.9 55.1 65.3 175 LEU 102.5 69.4 68.6 176 LEU 146.1 98.8 32.6 177 MET 158.6 99.5 46.4 178 ASP 73.9 66.9 68.2 179 GLU 30.3 21.9 80.5 180 GLN 120.3 81.0 65.6 181 ASP 24.5 22.2 78.0 182 HIS 117.7 78.4 64.7 183 GLY 4.8 13.9 85.3 184 TYR 146.7 81.0 53.7 185 ALA 6.4 8.8 79.7 186 LEU 94.8 64.2 64.3 187 THR 24.5 22.9 75.0 188 GLY 3.2 9.3 76.2 189 ASP 45.5 41.2 83.0 190 ALA 18.0 24.8 72.7 191 LEU 147.8 100.0 50.8 192 SER 74.3 88.9 52.8 193 GLN 79.2 53.3 68.0 194 ALA 54.1 74.5 57.1 195 ALA 72.6 100.0 50.0 196 ILE 139.5 97.2 47.5 197 ALA 35.8 49.3 66.0 198 ALA 65.8 90.6 62.1 199 ALA 72.6 100.0 53.0 200 ASN 106.2 87.8 54.3 201 ARG 123.8 59.3 71.8 202 SER 83.6 100.0 52.3 203 HIS 149.1 99.3 51.1 204 MET 140.9 88.4 49.7 205 PRO 114.5 92.0 57.0 206 TYR 167.8 92.7 43.2 207 SER 69.1 82.7 58.0 208 LYS 45.0 25.9 79.9 209 SER 80.5 96.3 49.7 210 PRO 123.8 99.4 41.7 211 SER 82.3 98.4 41.1 212 GLY 34.8 100.0 51.6 213 VAL 118.8 100.0 37.6 214 ALA 72.6 100.0 44.1 215 LEU 147.8 100.0 27.9 216 GLU 108.0 77.9 57.0 217 CYS 99.0 99.8 47.6 218 LYS 65.5 37.8 78.5 219 ASP 37.6 34.0 72.5 220 GLY 9.2 26.6 77.8 221 ARG 114.4 54.7 63.9 222 ILE 108.9 75.9 57.6 223 PHE 159.4 95.5 42.1 224 SER 57.4 68.6 54.9 225 GLY 34.6 99.5 55.2 226 SER 81.0 96.9 41.2 227 TYR 176.7 97.6 52.1 228 ALA 72.3 99.5 41.0 229 GLU 132.7 95.7 48.4 230 ASN 120.8 99.9 51.0 231 ALA 72.6 100.0 47.5 232 ALA 45.7 63.0 56.6 233 PHE 49.6 29.7 74.8 234 ASN 2.0 1.6 79.5 235 PRO 115.1 92.5 53.8 236 THR 86.5 81.0 59.9 237 LEU 146.2 98.9 43.6 238 PRO 95.5 76.7 60.2 239 PRO 124.2 99.7 48.8 240 LEU 146.2 98.9 36.3 241 GLN 147.8 99.5 35.5 242 GLY 34.8 99.9 47.6 243 ALA 72.6 100.0 50.4 244 LEU 147.8 100.0 25.9 245 ILE 143.2 99.8 38.8 246 LEU 126.3 85.4 48.7 247 LEU 147.8 100.0 33.2 248 ASN 115.2 95.3 60.9 249 LEU 146.7 99.2 51.5 250 LYS 150.6 86.9 52.0 251 GLY 34.7 99.8 68.5 252 TYR 163.2 90.2 55.5 253 ASP 52.9 47.9 65.1 254 TYR 154.4 85.3 42.1 255 PRO 35.8 28.7 81.0 256 ASP 71.5 64.7 54.7 257 ILE 142.4 99.2 33.3 258 GLN 76.0 51.1 70.5 259 ARG 150.9 72.2 64.1 260 ALA 72.4 99.8 34.7 261 VAL 118.2 99.5 51.9 262 LEU 147.8 100.0 39.4 263 ALA 72.6 100.0 44.3 264 GLU 136.2 98.3 47.9 265 LYS 122.6 70.7 67.4 266 ALA 32.7 45.0 70.5 267 ASP 21.4 19.4 81.4 268 ALA 71.7 98.7 55.3 269 PRO 46.6 37.4 78.7 270 LEU 60.9 41.2 79.1 271 ILE 98.9 69.0 81.7 272 GLN 125.3 84.3 51.5 273 TRP 140.0 68.3 63.1 274 ASP 17.5 15.9 76.8 275 ALA 30.6 42.1 80.3 276 THR 103.4 96.8 34.1 277 SER 72.4 86.6 52.2 278 ALA 18.0 24.7 74.6 279 THR 104.0 97.3 41.4 280 LEU 147.8 100.0 25.3 281 LYS 82.4 47.5 71.5 282 ALA 54.0 74.4 69.7 283 LEU 135.3 91.6 38.7 284 GLY 8.5 24.4 81.9 285 CYS 92.2 93.0 50.3 286 HIS 51.1 34.0 70.5 287 SER 30.8 36.9 71.7 288 ILE 141.2 98.4 50.4 289 ASP 45.7 41.4 73.2 290 ARG 154.4 73.9 48.2 291 VAL 87.7 73.8 53.7 292 LEU 65.9 44.6 74.3 293 LEU 144.8 98.0 36.1 294 ALA 0.0 0.0 82.8