Protein Data Bank File : 1qq9a Title : HYDROLASE 12-JUN-99 1QQ9 Number of Amino Acid Residues : 277 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 ALA PRO ASP ILE PRO LEU ALA ASN VAL LYS 10 ALA HIS LEU THR GLN LEU SER THR ILE ALA 20 ALA ASN ASN GLY GLY ASN ARG ALA HIS GLY 30 ARG PRO GLY TYR LYS ALA SER VAL ASP TYR 40 VAL LYS ALA LYS LEU ASP ALA ALA GLY TYR 50 THR THR THR LEU GLN GLN PHE THR SER GLY 60 GLY ALA THR GLY TYR ASN LEU ILE ALA ASN 70 TRP PRO GLY GLY ASP PRO ASN LYS VAL LEU 80 MET ALA GLY ALA HIS LEU ASP SER VAL SER 90 SER GLY ALA GLY ILE ASN ASP ASN GLY SER 100 GLY SER ALA ALA VAL LEU GLU THR ALA LEU 110 ALA VAL SER ARG ALA GLY TYR GLN PRO ASP 120 LYS HIS LEU ARG PHE ALA TRP TRP GLY ALA 130 GLU GLU LEU GLY LEU ILE GLY SER LYS PHE 140 TYR VAL ASN ASN LEU PRO SER ALA ASP ARG 150 SER LYS LEU ALA GLY TYR LEU ASN PHE ASP 160 MET ILE GLY SER PRO ASN PRO GLY TYR PHE 170 VAL TYR ASP ASP ASP PRO VAL ILE GLU LYS 180 THR PHE LYS ASN TYR PHE ALA GLY LEU ASN 190 VAL PRO THR GLU ILE GLU THR GLU GLY ASP 200 GLY ARG SER ASP HIS ALA PRO PHE LYS ASN 210 VAL GLY VAL PRO VAL GLY GLY LEU PHE THR 220 GLY ALA GLY TYR THR LYS SER ALA ALA GLN 230 ALA GLN LYS TRP GLY GLY THR ALA GLY GLN 240 ALA PHE ASP ARG CYS TYR HIS SER SER CYS 250 ASP SER LEU SER ASN ILE ASN ASP THR ALA 260 LEU ASP ARG ASN SER ASP ALA ALA ALA HIS 270 ALA ILE TRP THR LEU SER SER Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 ALA 0.0 151.7 179.0 2 PRO -79.3 159.6 171.8 26.1 -32.6 3 ASP -82.1 125.9 179.2 175.4 -8.8 4 ILE -81.5 129.2 -178.1 -65.9 -61.1 5 PRO -74.7 121.1 177.9 -21.2 38.1 6 LEU -53.9 -41.4 -178.7 173.0 64.8 7 ALA -58.7 -32.5 -178.5 8 ASN -74.0 -36.0 178.8 -72.7 8.8 9 VAL -67.3 -44.4 179.2 -177.5 10 LYS -61.6 -34.8 178.8 -67.5 -95.9 -77.4 -172.5 11 ALA -62.1 -38.4 176.8 12 HIS -65.1 -40.4 179.5 -58.2 -49.9 13 LEU -62.8 -40.7 178.2 -67.0 -179.2 14 THR -60.8 -43.4 177.0 -60.5 15 GLN -62.0 -43.6 179.6 -69.4 -60.6 -46.7 16 LEU -64.1 -35.9 177.4 -68.8 176.0 17 SER -61.6 -45.7 179.5 175.6 18 THR -65.2 -40.4 176.5 -58.8 19 ILE -59.7 -43.3 178.1 -75.1 164.9 20 ALA -62.7 -44.5 -178.7 21 ALA -63.4 -33.8 -178.2 22 ASN -80.9 -8.2 -175.3 -71.7 166.0 23 ASN -128.4 46.2 174.0 -68.1 100.7 24 GLY 88.6 -5.1 175.1 25 GLY 99.8 4.7 -177.4 26 ASN -149.3 172.2 176.9 64.1 69.4 27 ARG -128.9 50.1 -173.7 -53.2 -178.9 -57.8 95.8 28 ALA -90.2 154.5 175.5 29 HIS -49.9 133.4 177.8 172.9 77.0 30 GLY 80.6 0.8 -179.7 31 ARG -113.0 156.1 -177.6 -50.2 -135.4 -174.8 169.9 32 PRO -56.4 -30.5 179.8 -12.8 23.2 33 GLY -62.4 -27.1 179.9 34 TYR -74.5 -51.2 -179.7 179.4 71.9 35 LYS -61.7 -35.8 179.7 -178.7 53.7 161.7 55.6 36 ALA -63.7 -33.6 176.5 37 SER -66.3 -45.2 177.5 -63.2 38 VAL -57.9 -43.1 -177.8 167.3 39 ASP -64.2 -39.4 176.7 -70.3 -14.2 40 TYR -62.6 -46.9 -178.2 171.3 75.7 41 VAL -66.5 -41.8 -179.4 176.7 42 LYS -62.3 -41.7 179.9 -171.0 178.5 -173.8 -66.6 43 ALA -60.7 -37.9 -179.5 44 LYS -68.0 -41.3 -179.4 -65.8 -71.3 -173.1 165.7 45 LEU -69.6 -42.0 -179.3 -64.6 164.3 46 ASP -63.2 -40.5 -180.0 -77.8 -19.6 47 ALA -66.4 -24.9 -177.4 48 ALA -89.2 -4.1 178.2 49 GLY 104.3 2.8 176.6 50 TYR -73.9 153.5 169.5 -78.1 82.8 51 THR -90.6 119.2 -177.8 -66.5 52 THR -111.1 145.5 -179.9 54.9 53 THR -131.3 133.8 175.2 -56.7 54 LEU -102.7 122.6 179.6 -90.7 -180.0 55 GLN -106.4 120.1 -178.5 -179.3 174.1 61.2 56 GLN -99.0 144.0 176.9 -169.0 -178.9 -57.7 57 PHE -148.0 164.1 178.7 55.5 88.8 58 THR -119.0 130.5 176.6 -60.9 59 SER -145.6 135.3 179.6 -165.0 60 GLY 60.1 33.2 -179.5 61 GLY 75.0 4.0 -177.9 62 ALA -127.0 153.6 -179.4 63 THR -79.8 128.9 173.7 -58.6 64 GLY -118.6 171.7 -178.5 65 TYR -142.6 144.5 165.2 -51.0 86.0 66 ASN -109.0 147.9 176.1 -63.6 -38.9 67 LEU -116.2 121.7 -178.3 169.5 65.1 68 ILE -114.9 132.9 -179.9 -51.4 -60.9 69 ALA -125.4 127.1 179.4 70 ASN -112.6 132.3 177.1 -80.5 -84.5 71 TRP -88.6 115.8 -178.2 -177.8 -123.6 72 PRO -53.8 139.4 178.0 -27.5 41.0 73 GLY 106.0 -173.4 179.8 74 GLY 81.3 173.9 -178.6 75 ASP -73.3 118.5 179.9 -175.7 -6.7 76 PRO -66.2 -18.8 -179.7 27.2 -38.2 77 ASN -88.3 -1.7 178.9 -63.6 -55.4 78 LYS -138.2 98.7 -177.9 -69.9 179.4 168.1 120.9 79 VAL -107.4 129.3 176.1 177.9 80 LEU -106.5 127.4 -179.2 179.0 72.3 81 MET -116.6 148.4 174.9 -76.8 -161.9 71.3 82 ALA -138.1 143.4 -177.4 83 GLY -155.9 173.2 -175.8 84 ALA -160.6 141.1 176.8 85 HIS -79.1 142.9 -176.0 71.7 99.0 86 LEU -103.1 -8.7 178.0 -175.7 64.1 87 ASP -85.3 157.6 171.2 63.7 -44.3 88 SER -116.5 171.9 168.8 68.1 89 VAL -74.4 168.2 -177.7 -73.2 90 SER -83.8 0.9 179.5 63.2 91 SER -82.1 -10.8 -176.9 64.5 92 GLY -173.0 -168.6 -172.6 93 ALA -78.3 -16.9 178.9 94 GLY 61.6 50.8 -177.7 95 ILE -75.1 -50.3 173.6 -65.8 -50.8 96 ASN -75.0 -41.5 -178.9 -171.5 36.2 97 ASP -112.4 94.4 0.8 -177.5 18.3 98 ASN -136.7 44.8 169.8 -176.7 38.3 99 GLY -57.9 -36.1 -177.1 100 SER -58.4 -51.9 -179.8 64.3 101 GLY -68.5 -40.3 179.4 102 SER -60.0 -41.7 -179.5 -68.9 103 ALA -72.3 -35.5 178.4 104 ALA -66.7 -41.6 -179.6 105 VAL -68.1 -41.8 179.0 174.7 106 LEU -61.9 -46.4 -178.1 171.6 59.5 107 GLU -67.5 -31.7 176.3 -170.2 61.9 20.5 108 THR -64.8 -42.1 178.1 -64.3 109 ALA -63.2 -39.6 178.1 110 LEU -67.5 -34.4 -179.7 -62.4 178.1 111 ALA -66.0 -33.2 177.5 112 VAL -60.8 -44.8 -179.4 162.3 113 SER -67.9 -44.3 -179.9 177.0 114 ARG -62.3 -37.0 -179.3 -73.9 -160.3 -59.6 -94.2 115 ALA -77.6 -14.7 -176.1 116 GLY 65.4 38.1 -177.8 117 TYR -74.6 132.6 178.6 -179.4 43.9 118 GLN -120.3 92.3 -179.5 179.5 168.0 -74.9 119 PRO -72.6 157.0 177.1 29.5 -38.2 120 ASP -74.2 -45.3 177.1 -72.7 -33.2 121 LYS -86.2 150.6 178.1 -63.9 -168.7 178.2 69.0 122 HIS -75.1 134.4 -180.0 172.9 71.4 123 LEU -99.6 136.9 177.8 -66.8 172.8 124 ARG -137.4 133.6 179.2 -179.4 -179.5 -63.7 149.6 125 PHE -119.0 148.2 179.4 -62.6 -85.3 126 ALA -140.9 144.9 174.2 127 TRP -119.9 119.2 -174.3 -71.7 -96.4 128 TRP -94.6 137.4 172.0 -49.4 117.5 129 GLY -91.2 164.6 173.7 130 ALA 51.7 31.0 175.4 131 GLU -64.0 -32.7 -175.5 -173.5 -86.3 -15.4 132 GLU -75.0 -4.6 177.1 -61.8 -74.0 8.1 133 LEU -98.6 4.8 -179.2 -89.2 65.4 134 GLY 116.0 42.7 178.2 135 LEU 59.7 34.9 -173.3 -37.8 -175.6 136 ILE -64.4 -42.9 -177.9 -60.8 -57.3 137 GLY -69.8 -42.5 179.9 138 SER -72.9 -35.9 173.6 50.8 139 LYS -61.2 -40.8 179.7 -79.1 176.0 178.9 -171.1 140 PHE -59.9 -45.2 -179.7 -175.6 87.1 141 TYR -60.2 -49.6 -178.0 -179.3 82.3 142 VAL -67.2 -37.5 -178.0 175.9 143 ASN -68.4 -23.3 -179.5 -75.7 -15.1 144 ASN -101.0 3.1 176.2 -75.4 -75.0 145 LEU -88.2 126.8 178.8 -87.9 -171.7 146 PRO -62.0 156.3 -179.7 -23.9 33.2 147 SER -59.4 -33.8 -179.7 63.5 148 ALA -63.4 -38.5 178.6 149 ASP -74.8 -33.7 178.2 -72.2 -28.8 150 ARG -61.8 -39.0 -175.9 -156.8 142.4 76.8 -132.5 151 SER -70.4 -14.1 179.4 71.4 152 LYS -86.0 -8.5 -179.4 -70.8 170.3 -165.6 163.3 153 LEU -77.3 118.1 177.8 -62.4 175.7 154 ALA -85.0 -23.2 177.6 155 GLY -179.7 157.6 174.9 156 TYR -131.3 126.3 -179.1 171.0 69.5 157 LEU -109.8 129.3 -175.3 -54.2 -180.0 158 ASN -114.8 138.1 -179.6 -166.3 55.3 159 PHE -130.4 104.8 -175.4 -59.0 -82.7 160 ASP -138.4 107.0 -178.0 -175.6 -3.1 161 MET 71.8 87.8 -176.4 -62.1 -178.2 69.1 162 ILE -126.9 11.1 176.5 58.1 166.9 163 GLY -130.0 33.7 -174.5 164 SER -57.5 140.8 -176.9 -58.2 165 PRO -62.8 -27.8 179.5 27.8 -42.9 166 ASN -127.5 71.8 -173.3 179.1 23.7 167 PRO -72.0 152.8 165.6 42.0 -44.7 168 GLY -117.5 170.2 179.7 169 TYR -121.1 97.9 -175.4 -68.0 85.7 170 PHE -111.0 137.0 180.0 -58.6 -76.9 171 VAL -116.2 134.3 179.6 179.6 172 TYR -64.9 150.2 179.9 -66.2 14.3 173 ASP -112.2 60.2 -180.0 -179.5 33.7 174 ASP -109.2 -112.3 -179.4 -67.0 -58.9 175 ASP -55.1 131.5 -179.6 -179.1 81.8 176 PRO -65.9 -32.7 -179.7 31.1 -41.4 177 VAL -71.8 -45.0 179.5 172.8 178 ILE -64.2 -42.9 -178.0 -69.3 172.1 179 GLU -61.2 -45.2 178.2 176.1 179.6 7.2 180 LYS -61.5 -38.3 -179.7 -172.6 165.0 -170.0 -53.3 181 THR -58.5 -45.6 178.0 -61.2 182 PHE -68.8 -45.0 -179.1 -73.4 -58.6 183 LYS -58.9 -42.3 178.6 -80.1 172.2 154.7 -76.3 184 ASN -60.1 -36.3 -180.0 -75.9 172.4 185 TYR -65.1 -45.4 -178.6 -179.1 74.9 186 PHE -67.7 -31.9 177.7 -78.6 -75.7 187 ALA -59.7 -38.3 -179.5 188 GLY -68.6 -21.9 177.2 189 LEU -94.5 -8.4 -175.3 -57.5 -178.3 190 ASN 65.0 39.7 176.6 -160.1 27.5 191 VAL -111.9 121.5 -179.5 170.6 192 PRO -72.9 152.8 176.3 10.2 -9.0 193 THR -124.9 156.8 175.0 59.1 194 GLU -125.1 161.1 176.5 -74.8 -176.4 9.2 195 ILE -71.9 140.2 -179.3 -68.9 173.6 196 GLU -76.1 123.9 -179.9 -162.2 -58.7 -55.1 197 THR -128.5 -27.9 -178.2 63.4 198 GLU -61.1 -45.9 -178.9 171.7 167.6 23.8 199 GLY -87.9 -25.5 -179.5 200 ASP 51.4 -131.1 178.5 0.0 0.0 201 GLY -85.8 30.2 -176.0 202 ARG -103.5 46.4 171.6 -55.3 -167.2 -58.8 0.0 203 SER -150.3 -175.3 -170.2 -170.0 204 ASP -70.7 -9.4 174.0 -64.8 -62.7 205 HIS -74.0 -19.7 -174.5 60.1 -57.6 206 ALA -57.7 -47.4 179.9 207 PRO -61.0 -32.4 178.3 -21.8 34.1 208 PHE -72.8 -46.6 -179.5 -71.4 -86.6 209 LYS -57.7 -40.3 -175.8 -178.8 170.4 171.3 -179.1 210 ASN -65.7 -22.5 179.4 -74.1 -14.3 211 VAL -105.2 18.0 175.0 -59.4 212 GLY 84.9 10.7 177.1 213 VAL -84.4 133.4 179.1 176.6 214 PRO -64.3 134.7 179.6 -26.3 37.4 215 VAL -133.3 161.9 173.7 -54.5 216 GLY -165.0 -176.6 179.5 217 GLY 168.3 -177.3 -175.9 218 LEU -130.0 152.0 -177.5 -58.7 173.4 219 PHE -154.0 145.5 179.2 173.5 57.7 220 THR -114.3 6.1 175.3 50.0 221 GLY 101.7 151.7 -178.9 222 ALA -126.1 -116.5 -175.2 223 GLY -77.2 -13.6 179.6 224 TYR -63.9 156.3 -179.1 -80.1 7.1 225 THR -90.0 136.4 178.2 -52.8 226 LYS -74.4 133.3 -179.2 174.8 177.7 -85.3 -179.7 227 SER -85.5 172.3 179.3 76.1 228 ALA -66.5 -38.1 179.9 229 ALA -64.0 -37.8 179.9 230 GLN -71.8 -34.7 178.0 -71.9 169.1 -32.8 231 ALA -69.3 -28.8 178.2 232 GLN -67.5 -41.5 -179.3 -163.0 61.8 -136.6 233 LYS -83.8 -25.1 -178.0 58.7 170.8 74.1 153.2 234 TRP -120.6 -5.6 -176.8 -59.1 -50.7 235 GLY 87.3 -171.3 -179.1 236 GLY 92.0 -148.9 -175.5 237 THR -129.1 116.8 178.7 -47.2 238 ALA -71.8 146.9 178.1 239 GLY 86.2 -2.7 177.4 240 GLN -112.7 151.1 176.9 -66.9 -65.8 -56.9 241 ALA -58.7 155.6 173.3 242 PHE -63.6 -39.8 177.2 -67.8 -77.8 243 ASP -133.0 102.5 -178.6 -172.8 -17.1 244 ARG -73.7 -7.4 -178.7 -81.8 176.6 -81.0 -165.0 245 CYS -118.3 22.0 178.2 -71.6 246 TYR -54.7 125.8 179.3 179.3 54.2 247 HIS 54.7 26.6 -177.3 -74.7 -174.5 248 SER -114.2 169.0 177.9 -53.6 249 SER -67.2 -18.3 -179.9 61.5 250 CYS -87.4 9.7 174.2 59.4 251 ASP -83.7 76.5 -172.5 -176.1 11.0 252 SER -120.8 -169.9 179.5 64.3 253 LEU -59.5 -25.1 177.8 -75.1 177.4 254 SER -81.8 -0.5 -177.1 57.7 255 ASN -99.8 40.0 -178.8 -162.5 46.1 256 ILE -130.5 133.5 171.9 -70.7 -68.0 257 ASN -96.0 117.0 -175.8 179.3 -74.8 258 ASP -64.4 -38.2 179.8 -80.7 1.6 259 THR -62.3 -46.8 -179.0 -61.7 260 ALA -65.6 -41.1 -179.5 261 LEU -62.4 -42.4 -178.6 180.0 64.7 262 ASP -66.9 -49.2 -179.6 -173.8 25.7 263 ARG -57.7 -44.1 -177.1 -73.8 171.3 174.5 166.3 264 ASN -73.0 -30.9 176.5 -76.0 -53.2 265 SER -67.7 -43.7 -179.3 -65.0 266 ASP -66.8 -35.8 178.8 -69.3 -18.5 267 ALA -67.0 -38.6 179.4 268 ALA -59.1 -46.7 -179.3 269 ALA -65.3 -41.5 179.4 270 HIS -60.0 -43.1 -179.1 176.2 80.5 271 ALA -67.9 -41.9 -179.7 272 ILE -62.5 -44.0 179.5 -70.5 172.8 273 TRP -69.0 -43.8 -176.6 -104.7 -104.6 274 THR -64.2 -43.4 -176.2 -64.6 275 LEU -83.1 -9.8 179.3 -65.3 167.5 276 SER -99.2 1.6 179.9 54.9 277 SER -104.5 0.0 0.0 -71.7 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 ALA 32.261 8.481 31.116 2 PRO 29.214 7.919 28.891 3 ASP 26.537 10.570 28.236 4 ILE 23.438 9.386 30.179 5 PRO 20.420 9.414 27.834 6 LEU 17.719 11.745 29.176 7 ALA 15.001 9.603 27.568 8 ASN 16.085 6.591 29.654 9 VAL 15.978 8.602 32.886 10 LYS 12.510 9.993 32.012 11 ALA 11.303 6.406 31.310 12 HIS 12.132 5.446 34.944 13 LEU 10.217 8.533 36.169 14 THR 7.181 7.453 34.072 15 GLN 7.285 3.993 35.719 16 LEU 7.528 5.530 39.210 17 SER 4.534 7.849 38.354 18 THR 2.426 4.789 37.268 19 ILE 3.448 2.926 40.414 20 ALA 2.218 5.845 42.578 21 ALA -1.048 6.066 40.628 22 ASN -1.671 2.272 41.006 23 ASN -0.975 2.443 44.762 24 GLY -2.975 5.219 46.294 25 GLY -1.127 8.132 44.823 26 ASN 2.173 8.004 46.713 27 ARG 5.388 6.025 47.273 28 ALA 5.654 6.577 51.038 29 HIS 7.220 4.490 53.763 30 GLY 4.939 1.733 54.966 31 ARG 2.574 2.047 51.964 32 PRO 2.454 -0.306 48.916 33 GLY 3.829 2.283 46.535 34 TYR 7.207 2.171 48.270 35 LYS 7.803 -1.604 48.008 36 ALA 6.524 -1.521 44.396 37 SER 9.215 1.162 43.668 38 VAL 11.917 -1.050 45.216 39 ASP 10.757 -4.014 43.104 40 TYR 11.041 -2.013 39.881 41 VAL 14.567 -0.794 40.610 42 LYS 15.736 -4.219 41.809 43 ALA 14.466 -5.986 38.685 44 LYS 16.413 -3.645 36.377 45 LEU 19.617 -4.121 38.388 46 ASP 19.347 -7.916 38.670 47 ALA 18.922 -8.162 34.855 48 ALA 22.068 -6.042 34.358 49 GLY 24.289 -8.293 36.494 50 TYR 24.406 -6.600 39.851 51 THR 24.396 -8.453 43.164 52 THR 21.389 -6.946 45.024 53 THR 20.587 -7.033 48.730 54 LEU 17.324 -5.951 50.370 55 GLN 17.904 -4.601 53.880 56 GLN 14.754 -4.575 56.030 57 PHE 14.124 -2.319 59.053 58 THR 11.102 -1.222 61.137 59 SER 10.160 2.404 61.781 60 GLY 6.930 3.908 63.022 61 GLY 5.540 0.409 63.279 62 ALA 5.946 -0.412 59.584 63 THR 8.567 -2.334 57.563 64 GLY 10.857 -0.257 55.323 65 TYR 13.617 -1.352 52.986 66 ASN 16.955 -0.156 51.604 67 LEU 18.115 -1.659 48.258 68 ILE 21.891 -2.061 47.949 69 ALA 23.525 -3.058 44.628 70 ASN 27.145 -4.149 44.226 71 TRP 28.895 -4.287 40.826 72 PRO 31.146 -7.360 41.030 73 GLY 34.852 -6.658 41.062 74 GLY 37.168 -3.768 41.846 75 ASP 39.273 -3.266 44.955 76 PRO 37.242 -4.506 47.966 77 ASN 39.196 -2.152 50.204 78 LYS 38.226 1.014 48.334 79 VAL 34.481 1.295 47.747 80 LEU 32.815 4.240 46.027 81 MET 29.078 4.550 46.807 82 ALA 26.316 6.616 45.279 83 GLY 22.715 6.821 46.493 84 ALA 19.331 8.470 46.520 85 HIS 16.277 8.090 48.696 86 LEU 13.455 6.227 47.021 87 ASP 10.548 7.131 49.333 88 SER 8.159 10.066 48.877 89 VAL 5.989 11.946 51.353 90 SER 2.389 10.694 51.429 91 SER 0.908 13.700 49.736 92 GLY 1.990 12.692 46.218 93 ALA 4.218 10.737 43.836 94 GLY 7.490 12.482 44.722 95 ILE 8.738 12.703 41.108 96 ASN 11.278 15.506 41.709 97 ASP 11.667 14.552 45.470 98 ASN 13.156 12.052 44.863 99 GLY 12.296 10.114 41.783 100 SER 14.824 12.427 39.984 101 GLY 17.844 11.302 42.042 102 SER 16.644 7.672 42.152 103 ALA 16.295 7.501 38.368 104 ALA 19.666 9.192 37.702 105 VAL 21.477 6.730 40.023 106 LEU 19.613 3.789 38.470 107 GLU 20.476 4.843 34.868 108 THR 24.121 5.420 35.899 109 ALA 24.241 1.871 37.307 110 LEU 22.737 0.509 34.085 111 ALA 25.295 2.531 32.050 112 VAL 28.171 0.848 33.945 113 SER 26.850 -2.566 32.785 114 ARG 26.138 -1.449 29.170 115 ALA 29.683 -0.010 28.916 116 GLY 31.313 -3.148 30.316 117 TYR 33.132 -0.858 32.778 118 GLN 35.688 -2.464 35.133 119 PRO 36.518 0.173 37.748 120 ASP 39.615 0.194 39.932 121 LYS 37.464 0.923 43.028 122 HIS 34.483 -1.360 43.820 123 LEU 31.151 0.358 42.987 124 ARG 28.100 0.142 45.257 125 PHE 24.737 1.915 44.688 126 ALA 21.961 2.366 47.201 127 TRP 18.295 3.454 47.271 128 TRP 17.230 4.453 50.817 129 GLY 13.927 3.981 52.455 130 ALA 12.266 6.228 54.975 131 GLU 14.348 9.319 54.368 132 GLU 11.256 11.460 54.868 133 LEU 10.907 10.146 58.427 134 GLY 14.344 11.493 59.388 135 LEU 17.035 9.652 57.336 136 ILE 15.953 6.364 58.889 137 GLY 17.147 4.074 56.133 138 SER 20.608 5.587 55.615 139 LYS 21.134 5.824 59.410 140 PHE 20.160 2.120 59.604 141 TYR 22.765 1.259 56.955 142 VAL 25.650 3.199 58.597 143 ASN 24.705 2.034 62.125 144 ASN 24.898 -1.603 60.937 145 LEU 28.169 -1.456 59.053 146 PRO 31.022 -2.924 61.083 147 SER 33.948 -0.494 61.539 148 ALA 36.163 -2.599 59.178 149 ASP 33.602 -2.092 56.397 150 ARG 33.124 1.636 57.149 151 SER 36.848 2.169 56.707 152 LYS 36.701 0.724 53.194 153 LEU 34.378 3.525 52.022 154 ALA 36.212 5.963 49.826 155 GLY 33.277 8.295 49.316 156 TYR 29.490 8.584 49.245 157 LEU 27.767 10.716 46.537 158 ASN 24.150 11.794 47.216 159 PHE 21.482 12.803 44.688 160 ASP 18.314 14.261 46.241 161 MET 16.132 16.616 44.103 162 ILE 18.023 17.142 40.823 163 GLY 15.208 18.034 38.394 164 SER 13.524 21.110 39.999 165 PRO 11.279 22.987 37.593 166 ASN 12.886 26.470 38.181 167 PRO 16.345 25.154 38.878 168 GLY 19.534 26.263 40.424 169 TYR 22.755 24.206 40.208 170 PHE 24.045 23.593 43.714 171 VAL 27.059 21.485 44.669 172 TYR 27.628 20.268 48.230 173 ASP 30.702 21.795 49.999 174 ASP 31.896 18.817 52.004 175 ASP 34.813 16.760 50.776 176 PRO 36.996 19.004 48.538 177 VAL 37.939 16.415 45.964 178 ILE 34.343 15.266 45.307 179 GLU 33.231 18.929 45.155 180 LYS 35.924 19.825 42.626 181 THR 35.015 16.831 40.450 182 PHE 31.435 18.129 40.098 183 LYS 32.444 21.804 39.656 184 ASN 34.900 20.894 36.884 185 TYR 32.136 19.076 34.941 186 PHE 29.798 22.109 35.059 187 ALA 32.744 24.388 34.114 188 GLY 33.069 22.419 30.884 189 LEU 29.431 23.109 30.030 190 ASN 29.858 26.794 31.026 191 VAL 27.104 26.446 33.646 192 PRO 27.864 28.265 36.895 193 THR 27.394 26.528 40.230 194 GLU 26.777 27.727 43.778 195 ILE 27.434 26.081 47.185 196 GLU 24.499 24.139 48.628 197 THR 22.986 25.902 51.648 198 GLU 19.208 25.201 51.610 199 GLY 19.289 21.577 52.642 200 ASP 22.392 21.478 54.854 201 GLY 22.566 18.153 56.711 202 ARG 19.052 17.215 55.733 203 SER 19.631 14.311 53.373 204 ASP 21.199 10.809 53.314 205 HIS 24.807 11.973 53.109 206 ALA 24.553 13.153 56.795 207 PRO 25.005 9.742 58.470 208 PHE 28.077 9.066 56.351 209 LYS 29.591 12.516 56.920 210 ASN 29.128 12.133 60.704 211 VAL 31.333 9.014 60.752 212 GLY 34.135 10.480 58.628 213 VAL 33.290 9.187 55.152 214 PRO 33.999 11.798 52.407 215 VAL 30.694 12.964 50.896 216 GLY 29.328 15.197 48.196 217 GLY 26.342 15.645 45.908 218 LEU 24.111 17.781 43.713 219 PHE 20.829 19.631 44.374 220 THR 18.607 21.917 42.252 221 GLY 16.631 23.680 45.020 222 ALA 13.379 23.237 46.917 223 GLY 11.113 25.756 48.672 224 TYR 13.551 28.730 48.806 225 THR 12.956 31.555 46.315 226 LYS 15.259 32.046 43.286 227 SER 16.875 35.496 43.331 228 ALA 17.283 37.910 40.492 229 ALA 21.012 37.213 40.389 230 GLN 20.277 33.474 40.189 231 ALA 17.739 33.884 37.374 232 GLN 20.364 35.902 35.521 233 LYS 22.843 33.053 35.657 234 TRP 20.465 30.114 35.179 235 GLY 17.255 31.308 33.606 236 GLY 13.852 30.575 35.068 237 THR 11.700 32.900 37.143 238 ALA 13.072 35.191 39.862 239 GLY 10.851 35.452 42.928 240 GLN 9.437 31.922 42.546 241 ALA 10.484 28.798 44.447 242 PHE 12.992 26.426 42.819 243 ASP 10.295 23.752 43.289 244 ARG 6.746 25.167 43.635 245 CYS 5.432 21.605 44.224 246 TYR 7.821 20.575 46.999 247 HIS 6.142 17.827 49.165 248 SER 2.880 18.541 47.321 249 SER 0.415 16.564 45.252 250 CYS 1.713 18.418 42.186 251 ASP 5.204 16.834 42.422 252 SER 4.310 14.764 39.342 253 LEU 5.774 14.111 35.897 254 SER 5.152 17.718 34.937 255 ASN 7.286 18.945 37.878 256 ILE 10.619 18.246 36.124 257 ASN 12.994 20.518 34.206 258 ASP 14.526 18.274 31.519 259 THR 17.670 20.355 31.093 260 ALA 18.540 20.243 34.783 261 LEU 17.711 16.505 35.019 262 ASP 19.938 15.732 31.982 263 ARG 22.847 17.887 33.191 264 ASN 22.799 16.420 36.710 265 SER 22.472 12.799 35.430 266 ASP 25.462 13.332 33.167 267 ALA 27.432 14.948 36.037 268 ALA 26.583 11.939 38.268 269 ALA 28.067 9.534 35.682 270 HIS 31.118 11.758 35.173 271 ALA 31.835 11.798 38.949 272 ILE 31.290 8.039 39.337 273 TRP 33.703 7.212 36.481 274 THR 36.273 9.819 37.548 275 LEU 36.378 8.884 41.203 276 SER 36.429 5.111 40.616 277 SER 39.538 5.304 38.422 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S S/H H H H H H 10 H H H H H H H H H H 20 H H H H C S S S S C 30 H H H H 3 3/H H H H H 40 H H H H H H H H H/S S 50 S S S S S S S S/T T T 60 T/S S S S S S S S S S 70 S S S C T T T T/S S S 80 S S S/S S S S S/S S S S 90 C C C T T T T/P H H H 100 H H H H H H H H H H 110 H H H H H H/S S S S S/S 120 S S S S S S S S S S/T 130 T T T C H H H H H H 140 H H H H H H H H H H 150 H H 3 C S S S S S S 160 S S S S S S S S S S 170 S S S S H H H H H H 180 H H H H H H H H H H/S 190 S S S S S S S C T T 200 T T C C H H H H H H 210 H H/S S S S S S/S S S S 220 S C S S S S S/H H H H 230 H H H H/S S S S C S S 240 S S C C T T T T C C 250 C T T T T C H H H H 260 H H H H H H H H H H 270 H H H H H H H Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 h H H H H H 10 H H H H H H H H H H 20 H H h T T t B T T 30 h H H H H H H H H H 40 H H H H H H H h T t 50 E E E E E E E E E T 60 T E E E E E E E E E 70 e S S E E E E E E 80 E E E E E e B t T 90 T t t T T T h H H 100 H H H H H H H H H H 110 H H H H H h t e 120 E E E E E E E E S g 130 G G G g h H H H H H 140 H H H h t h H H H H 150 h e E E E E E E E e 160 S S e E 170 E e S h H H H H H 180 H H H H H H H H h T 190 t E E e S t T 200 T t t T h H H H H H 210 h T t e E E E E E 220 S S B h H H H 230 H H H H h S t T T t 240 B S t T T T T t T T 250 t t T T t h H H H 260 H H H H H H H H H H 270 H H H H H h t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 ALA 65.5 90.3 60.1 2 PRO 82.3 66.1 52.4 3 ASP 15.9 14.4 85.8 4 ILE 143.3 99.9 45.9 5 PRO 70.1 56.3 77.7 6 LEU 104.0 70.4 58.7 7 ALA 3.8 5.3 76.4 8 ASN 67.9 56.2 66.6 9 VAL 118.8 100.0 39.7 10 LYS 107.2 61.8 62.5 11 ALA 19.3 26.6 78.8 12 HIS 140.6 93.6 47.2 13 LEU 147.4 99.7 33.1 14 THR 45.1 42.2 69.3 15 GLN 66.7 44.9 66.6 16 LEU 144.8 97.9 41.7 17 SER 58.9 70.5 54.2 18 THR 43.3 40.5 78.0 19 ILE 119.6 83.3 53.8 20 ALA 70.7 97.4 54.0 21 ALA 18.8 25.9 79.5 22 ASN 32.2 26.6 76.7 23 ASN 85.1 70.4 60.1 24 GLY 0.0 0.0 86.1 25 GLY 9.2 26.5 73.4 26 ASN 111.4 92.2 60.5 27 ARG 208.9 100.0 52.1 28 ALA 64.8 89.3 63.0 29 HIS 142.9 95.1 42.8 30 GLY 25.8 74.1 63.2 31 ARG 92.9 44.5 78.5 32 PRO 38.6 31.0 76.2 33 GLY 34.8 100.0 56.8 34 TYR 177.2 97.9 53.8 35 LYS 99.9 57.6 62.8 36 ALA 46.1 63.5 68.2 37 SER 83.6 100.0 43.3 38 VAL 118.7 99.9 34.3 39 ASP 51.2 46.3 69.2 40 TYR 147.2 81.3 45.9 41 VAL 116.0 97.6 29.7 42 LYS 115.6 66.7 60.2 43 ALA 15.1 20.8 80.3 44 LYS 86.5 49.9 61.1 45 LEU 147.8 100.0 25.8 46 ASP 66.2 60.0 76.9 47 ALA 8.9 12.2 86.4 48 ALA 55.8 76.9 58.8 49 GLY 3.3 9.5 78.5 50 TYR 181.0 100.0 33.5 51 THR 29.1 27.2 76.0 52 THR 104.9 98.2 52.0 53 THR 37.1 34.8 72.9 54 LEU 106.0 71.7 46.6 55 GLN 107.4 72.3 54.1 56 GLN 50.8 34.2 72.2 57 PHE 155.8 93.4 48.6 58 THR 37.9 35.4 75.7 59 SER 64.4 77.0 49.4 60 GLY 0.0 0.0 81.0 61 GLY 0.7 2.0 74.2 62 ALA 41.5 57.1 72.1 63 THR 66.1 61.8 71.3 64 GLY 34.7 99.8 45.9 65 TYR 139.7 77.2 41.9 66 ASN 120.9 100.0 45.8 67 LEU 147.7 99.9 31.8 68 ILE 133.5 93.0 47.4 69 ALA 72.6 100.0 38.4 70 ASN 91.4 75.6 60.3 71 TRP 169.2 82.5 52.8 72 PRO 55.9 44.9 75.6 73 GLY 0.5 1.6 86.5 74 GLY 28.3 81.3 71.5 75 ASP 65.5 59.3 63.1 76 PRO 34.9 28.0 82.3 77 ASN 36.8 30.4 66.6 78 LYS 59.2 34.2 71.0 79 VAL 115.4 97.2 51.8 80 LEU 142.9 96.7 39.7 81 MET 159.3 99.9 35.7 82 ALA 71.1 98.0 35.4 83 GLY 34.8 100.0 56.6 84 ALA 72.6 100.0 64.9 85 HIS 149.0 99.2 68.8 86 LEU 147.8 100.0 44.6 87 ASP 110.2 99.8 53.3 88 SER 83.6 100.0 66.0 89 VAL 85.1 71.7 63.6 90 SER 48.1 57.6 72.4 91 SER 38.3 45.9 75.9 92 GLY 29.6 85.0 77.8 93 ALA 59.9 82.5 56.2 94 GLY 32.6 93.6 66.4 95 ILE 143.4 99.9 45.7 96 ASN 120.9 100.0 57.7 97 ASP 105.5 95.4 58.7 98 ASN 120.9 100.0 66.5 99 GLY 34.8 100.0 55.1 100 SER 83.6 100.0 50.1 101 GLY 34.8 100.0 56.4 102 SER 82.7 98.9 49.8 103 ALA 71.3 98.2 46.5 104 ALA 72.6 100.0 48.4 105 VAL 118.7 99.9 43.0 106 LEU 146.2 98.9 35.1 107 GLU 136.5 98.5 51.9 108 THR 106.9 100.0 38.8 109 ALA 72.6 100.0 37.9 110 LEU 125.8 85.1 52.3 111 ALA 70.7 97.4 52.9 112 VAL 118.8 100.0 36.8 113 SER 67.7 81.0 55.5 114 ARG 100.5 48.1 73.9 115 ALA 39.3 54.1 67.5 116 GLY 1.5 4.3 82.3 117 TYR 149.7 82.7 56.0 118 GLN 4.9 3.3 84.7 119 PRO 120.0 96.4 53.9 120 ASP 16.2 14.7 77.0 121 LYS 124.6 71.8 52.6 122 HIS 128.4 85.5 61.5 123 LEU 145.7 98.6 33.8 124 ARG 167.3 80.1 50.2 125 PHE 165.4 99.2 35.4 126 ALA 72.6 100.0 37.3 127 TRP 205.0 100.0 35.3 128 TRP 205.0 100.0 41.6 129 GLY 34.8 99.9 59.8 130 ALA 72.6 100.0 42.6 131 GLU 126.6 91.4 66.5 132 GLU 117.6 84.9 65.4 133 LEU 88.1 59.6 63.3 134 GLY 3.1 8.8 72.5 135 LEU 126.3 85.4 58.5 136 ILE 94.7 66.0 58.8 137 GLY 34.8 100.0 57.4 138 SER 83.6 100.0 43.2 139 LYS 79.6 45.9 69.2 140 PHE 105.7 63.4 67.3 141 TYR 169.9 93.8 40.7 142 VAL 112.8 94.9 39.8 143 ASN 28.3 23.4 77.7 144 ASN 58.7 48.5 67.7 145 LEU 128.6 87.0 49.9 146 PRO 43.5 34.9 79.4 147 SER 21.6 25.8 85.2 148 ALA 9.3 12.9 82.1 149 ASP 64.1 58.0 60.1 150 ARG 129.6 62.0 59.2 151 SER 16.1 19.3 81.7 152 LYS 107.0 61.7 78.4 153 LEU 146.7 99.3 45.4 154 ALA 48.0 66.1 56.8 155 GLY 34.4 98.8 47.3 156 TYR 180.8 99.9 39.8 157 LEU 147.8 100.0 30.1 158 ASN 120.7 99.8 54.6 159 PHE 166.8 100.0 36.0 160 ASP 97.5 88.2 68.8 161 MET 151.1 94.8 56.5 162 ILE 143.5 100.0 47.9 163 GLY 34.8 100.0 53.9 164 SER 83.6 100.0 60.2 165 PRO 103.3 83.0 70.7 166 ASN 117.3 97.0 56.2 167 PRO 114.1 91.6 59.2 168 GLY 34.8 100.0 30.9 169 TYR 174.0 96.1 41.0 170 PHE 150.2 90.1 51.5 171 VAL 117.5 98.9 45.2 172 TYR 167.6 92.6 57.1 173 ASP 52.6 47.6 71.8 174 ASP 89.8 81.3 60.3 175 ASP 81.9 74.1 48.3 176 PRO 30.5 24.5 81.8 177 VAL 24.1 20.3 73.1 178 ILE 137.3 95.7 43.0 179 GLU 119.5 86.2 52.6 180 LYS 47.6 27.5 83.2 181 THR 92.9 86.9 47.7 182 PHE 166.1 99.6 33.8 183 LYS 97.9 56.4 69.3 184 ASN 56.2 46.5 72.2 185 TYR 138.0 76.2 54.5 186 PHE 165.0 98.9 37.3 187 ALA 19.8 27.2 83.8 188 GLY 0.0 0.0 84.3 189 LEU 90.1 61.0 62.9 190 ASN 0.0 0.0 87.9 191 VAL 110.5 93.0 48.5 192 PRO 66.9 53.8 66.8 193 THR 101.5 94.9 44.8 194 GLU 93.8 67.7 65.2 195 ILE 64.1 44.7 75.6 196 GLU 128.7 92.9 42.3 197 THR 20.0 18.7 80.4 198 GLU 119.5 86.2 49.6 199 GLY 15.1 43.4 71.7 200 ASP 77.3 69.9 86.5 201 GLY 9.3 26.7 70.2 202 ARG 92.1 44.1 82.9 203 SER 75.3 90.0 66.3 204 ASP 110.3 99.8 46.3 205 HIS 142.3 94.8 45.5 206 ALA 59.1 81.4 55.6 207 PRO 114.9 92.3 47.4 208 PHE 166.5 99.8 25.7 209 LYS 74.4 42.9 76.5 210 ASN 25.6 21.2 75.6 211 VAL 73.6 62.0 60.4 212 GLY 0.0 0.0 85.8 213 VAL 113.8 95.8 44.0 214 PRO 75.8 60.9 69.2 215 VAL 118.2 99.5 41.8 216 GLY 33.8 97.0 43.6 217 GLY 34.8 100.0 43.1 218 LEU 146.4 99.1 34.7 219 PHE 150.3 90.1 48.6 220 THR 106.8 99.9 55.7 221 GLY 34.8 100.0 41.1 222 ALA 65.6 90.3 40.3 223 GLY 13.2 38.0 63.4 224 TYR 55.2 30.5 79.3 225 THR 46.0 43.0 76.4 226 LYS 173.1 99.9 54.4 227 SER 33.1 39.6 70.5 228 ALA 45.2 62.3 66.7 229 ALA 6.6 9.0 78.7 230 GLN 120.4 81.0 52.4 231 ALA 59.4 81.9 63.2 232 GLN 11.0 7.4 88.9 233 LYS 102.1 58.9 61.7 234 TRP 198.0 96.6 45.6 235 GLY 2.9 8.2 84.0 236 GLY 14.8 42.5 78.5 237 THR 41.8 39.1 74.8 238 ALA 42.0 57.8 62.6 239 GLY 6.0 17.3 71.1 240 GLN 79.1 53.3 73.4 241 ALA 57.9 79.7 66.0 242 PHE 161.4 96.8 52.7 243 ASP 110.5 100.0 52.5 244 ARG 95.0 45.5 72.3 245 CYS 81.6 82.3 61.7 246 TYR 105.8 58.4 65.2 247 HIS 96.6 64.3 66.4 248 SER 45.9 54.9 74.6 249 SER 14.3 17.1 80.6 250 CYS 38.8 39.1 67.9 251 ASP 108.2 98.0 63.7 252 SER 44.9 53.7 72.3 253 LEU 87.8 59.4 64.8 254 SER 4.5 5.4 90.5 255 ASN 113.0 93.5 58.7 256 ILE 142.9 99.6 50.9 257 ASN 76.8 63.5 63.6 258 ASP 59.5 53.8 60.4 259 THR 38.7 36.2 82.4 260 ALA 72.6 100.0 53.7 261 LEU 147.8 100.0 38.3 262 ASP 69.7 63.0 66.4 263 ARG 132.8 63.6 51.9 264 ASN 118.4 98.0 34.6 265 SER 83.3 99.6 42.4 266 ASP 92.5 83.7 68.7 267 ALA 72.6 100.0 39.0 268 ALA 72.5 99.9 45.1 269 ALA 72.6 100.0 46.9 270 HIS 95.4 63.5 57.6 271 ALA 72.4 99.7 37.4 272 ILE 142.5 99.3 25.8 273 TRP 175.6 85.7 43.0 274 THR 49.2 46.0 68.2 275 LEU 123.2 83.4 44.6 276 SER 83.6 100.0 46.3 277 SER 34.8 41.7 72.0