Protein Data Bank File : 1es5a Title : HYDROLASE 07-APR-00 1ES5 Number of Amino Acid Residues : 260 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 LYS PRO THR ILE ALA ALA VAL GLY GLY TYR 10 ALA MET ASN ASN GLY THR GLY THR THR LEU 20 TYR THR LYS ALA ALA ASP THR ARG ARG SER 30 THR GLY SER THR THR LYS ILE MET THR ALA 40 LYS VAL VAL LEU ALA GLN SER ASN LEU ASN 50 LEU ASP ALA LYS VAL THR ILE GLN LYS ALA 60 TYR SER ASP TYR VAL VAL ALA ASN ASN ALA 70 SER GLN ALA HIS LEU ILE VAL GLY ASP LYS 80 VAL THR VAL ARG GLN LEU LEU TYR GLY LEU 90 MET LEU PRO SER GLY CYS ASP ALA ALA TYR 100 ALA LEU ALA ASP LYS TYR GLY SER GLY SER 110 THR ARG ALA ALA ARG VAL LYS SER PHE ILE 120 GLY LYS MET ASN THR ALA ALA THR ASN LEU 130 GLY LEU HIS ASN THR HIS PHE ASP SER PHE 140 ASP GLY ILE GLY ASN GLY ALA ASN TYR SER 150 THR PRO ARG ASP LEU THR LYS ILE ALA SER 160 SER ALA MET LYS ASN SER THR PHE ARG THR 170 VAL VAL LYS THR LYS ALA TYR THR ALA LYS 180 THR VAL THR LYS THR GLY SER ILE ARG THR 190 MET ASP THR TRP LYS ASN THR ASN GLY LEU 200 LEU SER SER TYR SER GLY ALA ILE GLY VAL 210 LYS THR GLY ALA GLY PRO GLU ALA LYS TYR 220 CYS LEU VAL PHE ALA ALA THR ARG GLY GLY 230 LYS THR VAL ILE GLY THR VAL LEU ALA SER 240 THR SER ILE PRO ALA ARG GLU SER ASP ALA 250 THR LYS ILE MET ASN TYR GLY PHE ALA LEU Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 LYS 0.0 122.4 -179.9 -158.4 -164.8 173.0 153.9 2 PRO -74.7 158.1 177.6 29.9 -33.7 3 THR -100.7 147.8 -179.3 57.6 4 ILE -136.5 158.8 179.7 58.3 173.2 5 ALA -76.2 -34.8 -179.9 6 ALA -56.5 139.4 179.2 7 VAL -86.7 -4.0 178.6 -74.4 8 GLY -140.4 130.5 179.9 9 GLY -154.4 150.2 179.4 10 TYR -162.6 147.0 177.8 -178.5 80.2 11 ALA -155.1 147.8 179.5 12 MET -145.9 169.5 177.0 72.8 178.4 -179.0 13 ASN -83.9 115.9 -177.7 174.6 -52.8 14 ASN -58.1 -34.9 -179.2 -166.4 -120.6 15 GLY -76.3 -42.0 -177.9 16 THR -93.0 -23.9 -179.3 71.5 17 GLY 86.0 -1.4 -178.9 18 THR -71.4 130.6 -179.8 -60.3 19 THR -67.6 135.7 -179.4 -62.4 20 LEU -115.8 -24.4 -178.7 -59.8 175.3 21 TYR -158.4 141.9 178.6 176.4 91.4 22 THR -145.3 145.2 176.4 65.9 23 LYS -159.3 101.2 -178.2 -174.4 -177.3 176.7 175.5 24 ALA 48.9 45.5 -177.8 25 ALA -60.4 -23.9 -179.2 26 ASP -115.2 19.1 179.3 -61.6 -74.9 27 THR -89.8 122.6 -179.4 -67.8 28 ARG -67.8 130.8 179.8 -66.4 166.2 -174.2 -160.7 29 ARG -147.3 169.4 178.4 -52.9 -164.1 -169.3 -83.3 30 SER -70.2 150.4 -176.2 -62.0 31 THR -102.6 -24.1 -176.5 75.5 32 GLY 68.3 -150.9 -178.9 33 SER -72.9 -0.5 178.8 -77.9 34 THR -65.7 -16.7 178.2 56.5 35 THR -61.6 -26.3 -179.5 -84.6 36 LYS -60.9 -17.9 177.1 -65.9 -178.0 -170.8 176.9 37 ILE -64.7 -43.6 179.7 -69.6 162.6 38 MET -66.3 -35.1 179.0 -176.5 55.3 102.2 39 THR -61.6 -47.7 179.1 -63.5 40 ALA -61.9 -44.9 -179.8 41 LYS -57.8 -48.4 179.8 -178.2 178.1 135.9 73.5 42 VAL -62.3 -44.7 179.9 170.3 43 VAL -57.6 -51.8 -177.7 163.6 44 LEU -64.2 -16.3 179.8 -69.9 164.2 45 ALA -98.9 1.5 -179.8 46 GLN -67.8 140.5 -179.6 -70.6 -50.5 -75.1 47 SER -64.2 -41.9 -179.5 46.4 48 ASN -89.5 33.5 -179.9 66.7 -43.8 49 LEU -74.7 129.3 179.1 172.8 78.0 50 ASN -141.9 102.4 -178.8 175.3 5.3 51 LEU -57.5 -21.2 -179.1 -70.1 176.9 52 ASP -95.1 -2.4 179.2 -64.3 133.8 53 ALA -63.0 133.0 -179.8 54 LYS -92.3 144.1 -179.4 -94.9 147.1 -171.1 -158.5 55 VAL -128.3 128.7 179.1 158.1 56 THR -83.2 126.5 179.9 -67.0 57 ILE -68.4 112.2 -179.7 -58.4 -46.7 58 GLN -80.8 151.2 179.1 -54.9 -63.0 -47.4 59 LYS -57.3 -31.5 -179.5 173.9 61.7 167.5 172.1 60 ALA -61.9 -34.5 -179.9 61 TYR -64.4 -41.6 -179.8 -53.9 -17.4 62 SER -71.4 -45.5 -179.8 -175.3 63 ASP -59.9 -34.5 179.9 -74.4 -24.2 64 TYR -63.3 -50.8 -179.7 175.5 -100.3 65 VAL -61.3 -38.1 180.0 -70.7 66 VAL -66.0 -48.7 -179.0 173.0 67 ALA -64.3 -29.9 -178.7 68 ASN -106.4 6.6 -178.7 -68.2 -88.3 69 ASN 45.2 46.5 -179.0 -73.9 126.8 70 ALA -90.5 153.9 177.9 71 SER -64.1 146.9 -177.3 177.8 72 GLN -142.8 165.3 178.2 60.0 163.5 -46.9 73 ALA -98.8 3.8 178.8 74 HIS 59.7 36.3 178.8 -56.9 -82.5 75 LEU -64.2 133.9 -177.8 -58.5 167.7 76 ILE -89.8 122.9 -179.4 -60.4 156.3 77 VAL -53.0 129.3 -179.8 176.5 78 GLY 101.6 -25.7 -179.3 79 ASP -66.9 153.2 177.1 -87.9 -163.1 80 LYS -104.1 119.9 -177.1 -77.2 121.9 -119.8 96.4 81 VAL -124.7 136.2 -179.3 -176.8 82 THR -76.6 159.7 179.1 64.8 83 VAL -61.9 -36.2 178.4 170.8 84 ARG -62.4 -46.4 179.5 174.9 -171.5 -75.0 105.6 85 GLN -62.2 -37.9 179.1 -74.3 168.4 -20.3 86 LEU -65.9 -34.6 179.2 -73.0 176.6 87 LEU -68.4 -35.6 177.5 -74.3 166.5 88 TYR -72.8 -39.3 179.3 -83.0 97.4 89 GLY -65.3 -32.1 179.7 90 LEU -70.0 -50.4 -175.5 173.9 79.4 91 MET -84.5 -27.1 -178.7 -54.6 -55.5 -77.0 92 LEU -84.5 -69.2 179.8 -89.0 54.6 93 PRO -84.5 4.4 -177.0 34.2 -34.2 94 SER 63.9 66.9 -179.2 -162.0 95 GLY -84.3 103.6 178.5 96 CYS -71.3 -21.7 177.1 -86.2 97 ASP -72.4 -37.6 178.6 42.8 167.0 98 ALA -67.4 -36.0 179.2 99 ALA -62.4 -45.5 179.8 100 TYR -60.4 -45.0 179.4 -163.9 -13.6 101 ALA -59.1 -44.0 -179.3 102 LEU -65.5 -41.3 179.6 -71.0 167.8 103 ALA -66.1 -39.2 179.4 104 ASP -64.0 -41.7 -178.7 -167.9 6.6 105 LYS -69.4 -45.8 -175.9 168.3 76.1 162.3 162.3 106 TYR -97.6 -6.4 177.6 -71.3 104.4 107 GLY -78.6 158.1 179.2 108 SER -97.9 127.7 -180.0 -178.3 109 GLY 161.2 164.5 -179.0 110 SER -94.9 -6.9 177.4 -64.4 111 THR -130.7 159.2 178.6 60.7 112 ARG -60.4 -41.5 -179.8 -171.1 164.7 -54.5 116.9 113 ALA -60.1 -43.9 179.9 114 ALA -67.4 -41.9 -179.3 115 ARG -66.5 -35.6 179.3 -68.6 -166.9 -70.3 -80.7 116 VAL -64.9 -43.6 180.0 160.8 117 LYS -61.3 -47.7 179.7 -168.3 145.3 115.9 66.4 118 SER -60.1 -42.0 -179.8 155.9 119 PHE -63.6 -40.7 179.6 -172.3 87.7 120 ILE -64.8 -32.0 177.7 -65.3 163.5 121 GLY -64.6 -39.7 179.1 122 LYS -62.8 -35.8 179.6 -73.2 173.8 -169.1 -128.8 123 MET -65.1 -43.8 179.9 -65.9 170.9 76.3 124 ASN -69.6 -33.1 179.0 -77.3 -49.7 125 THR -67.8 -36.0 179.7 -69.8 126 ALA -68.1 -35.2 178.9 127 ALA -66.1 -44.6 179.5 128 THR -60.4 -42.3 -179.0 -70.0 129 ASN -66.2 -21.0 179.0 -71.0 -20.3 130 LEU -88.5 -3.0 -179.7 -78.5 174.0 131 GLY 78.9 19.5 179.8 132 LEU -77.4 149.6 -178.8 -54.0 -177.4 133 HIS -130.5 -9.6 -179.0 -64.3 -82.1 134 ASN -118.1 28.2 -178.8 -66.8 -39.5 135 THR -131.0 134.6 176.1 -63.1 136 HIS -147.7 137.7 -179.8 -177.0 72.0 137 PHE -112.1 139.3 178.2 -61.6 -71.0 138 ASP -132.1 12.8 -179.7 -171.7 60.6 139 SER -157.0 166.6 178.7 68.4 140 PHE -101.3 3.4 -177.6 46.7 -115.8 141 ASP -142.7 -2.0 -179.6 53.4 11.9 142 GLY 87.1 4.6 179.9 143 ILE -77.7 113.5 178.6 -62.8 -94.0 144 GLY 58.5 157.5 177.6 145 ASN 102.8 132.2 178.1 -152.8 50.6 146 GLY -75.1 -14.1 179.4 147 ALA -91.5 14.8 177.1 148 ASN -120.2 108.6 -178.6 -160.2 89.8 149 TYR -159.4 163.7 177.3 56.5 -99.8 150 SER -158.9 -167.1 179.6 -165.6 151 THR -137.3 164.4 179.4 65.4 152 PRO -58.7 -38.8 179.8 -24.8 37.6 153 ARG -67.4 -51.3 -179.6 -170.1 -168.3 -53.3 -92.0 154 ASP -57.4 -46.1 -180.0 -80.9 -159.7 155 LEU -64.6 -33.9 179.2 -81.5 171.8 156 THR -67.5 -38.1 178.7 -63.7 157 LYS -69.0 -34.8 178.8 -65.8 -166.7 169.4 -5.8 158 ILE -68.6 -41.2 179.7 -68.1 163.5 159 ALA -64.6 -44.8 179.2 160 SER -58.8 -43.3 179.1 174.3 161 SER -62.7 -45.2 179.9 177.0 162 ALA -62.9 -37.3 -179.5 163 MET -65.9 -5.8 178.2 -71.5 -69.8 -82.4 164 LYS -75.0 -20.8 -179.3 -70.1 -177.4 169.2 -48.3 165 ASN -87.3 125.5 -178.6 -173.6 -75.3 166 SER -63.0 -34.6 179.5 51.6 167 THR -67.1 -43.1 179.2 -62.5 168 PHE -59.9 -47.1 -179.2 -176.2 90.0 169 ARG -59.6 -42.9 -179.5 -69.0 -161.3 -54.7 -85.3 170 THR -62.4 -40.7 -179.4 -68.6 171 VAL -67.7 -53.0 -176.4 170.1 172 VAL -68.0 -13.5 177.7 -57.4 173 LYS -99.8 1.4 179.7 65.4 164.7 157.0 -116.3 174 THR -80.2 124.8 -179.1 -58.1 175 LYS -79.0 -39.8 -178.6 -72.8 -163.0 -92.0 -70.6 176 ALA -141.7 147.2 179.5 177 TYR -152.7 131.5 179.8 -173.5 90.3 178 THR -117.2 109.9 -179.5 -56.8 179 ALA -79.2 133.9 177.5 180 LYS -109.7 101.2 -177.6 -67.4 -109.3 -146.0 -26.6 181 THR -96.8 172.9 -179.9 60.1 182 VAL -108.8 123.0 179.9 -179.9 183 THR -82.3 175.4 180.0 78.4 184 LYS -61.9 -23.6 179.9 -80.5 134.8 120.9 40.9 185 THR -89.6 -0.5 -179.3 71.4 186 GLY 87.4 -6.2 -179.8 187 SER -70.0 160.0 179.1 73.8 188 ILE -97.3 124.1 -179.9 -59.1 -49.7 189 ARG -102.9 131.5 177.9 -178.5 -153.8 -49.4 -76.4 190 THR -93.9 107.9 180.0 -69.7 191 MET -71.9 163.2 177.4 -70.3 -168.3 58.0 192 ASP -66.1 144.4 -178.6 -55.3 124.9 193 THR -62.7 137.2 178.6 -57.8 194 TRP -94.4 137.5 178.6 -70.6 -33.1 195 LYS -117.4 136.9 178.7 -59.2 -58.8 -159.2 74.9 196 ASN -67.3 129.4 -179.9 -156.5 -56.0 197 THR -71.8 -10.2 -179.8 51.1 198 ASN -80.4 95.9 -179.7 -177.9 3.2 199 GLY -59.0 -24.4 179.5 200 LEU -57.7 -30.6 -178.4 -66.9 -179.3 201 LEU -54.9 -29.6 179.8 -74.5 -166.1 202 SER -109.2 -26.6 -178.4 67.9 203 SER -90.3 -27.0 -178.2 78.3 204 TYR -110.5 110.4 -179.9 -163.9 91.3 205 SER -56.9 127.8 -179.8 -171.0 206 GLY 91.8 -5.9 -179.3 207 ALA -60.4 139.5 -179.0 208 ILE -132.4 -3.6 -179.0 56.6 170.7 209 GLY -178.5 -174.5 4.3 210 VAL -132.9 -52.3 -177.8 174.3 211 LYS -166.4 138.4 179.9 180.0 77.3 -176.2 76.9 212 THR -92.4 169.4 178.5 57.5 213 GLY -161.4 150.6 -179.9 214 ALA -171.7 112.4 -179.8 215 GLY -148.5 174.4 -179.5 216 PRO -59.6 -35.5 -179.8 24.7 -36.9 217 GLU -97.4 -37.0 -179.1 -49.9 -47.8 -36.2 218 ALA -83.0 -17.6 -177.4 219 LYS 57.6 -150.2 -176.3 -77.4 -13.8 -172.4 -52.0 220 TYR -91.6 114.4 -177.2 -58.8 -90.6 221 CYS -118.6 156.1 179.2 -48.8 222 LEU -159.7 126.4 175.8 176.0 58.1 223 VAL -102.2 120.8 -176.4 172.5 224 PHE -119.8 159.0 177.9 51.3 86.7 225 ALA -158.6 141.7 179.5 226 ALA -154.5 152.2 179.1 227 THR -124.0 129.8 179.5 -62.0 228 ARG -146.3 134.7 179.5 -79.9 -172.6 -172.2 177.8 229 GLY 49.5 45.0 179.0 230 GLY 68.4 18.3 178.7 231 LYS -128.0 135.3 179.8 178.1 172.6 -49.2 159.8 232 THR -114.7 121.4 178.5 -66.1 233 VAL -104.8 130.7 179.9 176.0 234 ILE -132.4 138.1 -179.0 -169.9 155.1 235 GLY -165.1 -175.5 -179.0 236 THR -145.3 143.6 174.2 -56.6 237 VAL -124.4 133.7 179.2 -74.5 238 LEU -121.2 139.9 178.7 -67.5 -175.5 239 ALA 60.7 49.6 174.7 240 SER -78.6 175.9 -176.1 -176.5 241 THR -92.9 -10.9 179.8 56.6 242 SER -170.4 173.1 179.4 72.8 243 ILE -66.1 -52.6 179.6 -69.3 -179.4 244 PRO -57.4 -38.1 -179.5 -21.8 32.5 245 ALA -66.5 -40.6 179.9 246 ARG -64.4 -35.8 179.3 94.0 -176.9 161.7 -164.1 247 GLU -69.9 -41.2 179.0 -135.9 177.1 -86.0 248 SER -70.5 -35.4 178.7 58.0 249 ASP -57.9 -50.5 -179.5 -84.5 175.8 250 ALA -64.5 -41.6 179.9 251 THR -58.5 -47.6 179.7 -67.3 252 LYS -62.1 -44.6 -179.4 -80.2 -178.2 -87.7 176.4 253 ILE -62.2 -45.1 -179.8 -69.6 169.2 254 MET -65.4 -43.6 179.8 -71.6 -168.1 -69.2 255 ASN -59.7 -42.6 178.9 -79.9 171.0 256 TYR -63.5 -47.7 -179.4 172.3 68.6 257 GLY -59.5 -38.8 -179.8 258 PHE -71.1 -28.9 -178.6 -78.4 -56.2 259 ALA -85.2 -14.1 -178.1 260 LEU -62.8 138.8 0.0 -81.5 -179.1 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 LYS 37.814 63.672 27.071 2 PRO 38.424 60.656 29.323 3 THR 38.166 57.062 28.148 4 ILE 35.937 54.727 30.147 5 ALA 35.318 50.976 30.360 6 ALA 31.550 51.424 30.139 7 VAL 30.152 50.971 26.624 8 GLY 27.479 53.560 27.352 9 GLY 27.941 56.927 29.035 10 TYR 26.377 60.368 29.446 11 ALA 26.620 63.415 31.691 12 MET 25.092 66.874 31.721 13 ASN 24.955 70.030 33.808 14 ASN 21.887 69.286 35.921 15 GLY 20.845 72.911 36.133 16 THR 21.280 73.904 32.490 17 GLY 20.685 70.585 30.732 18 THR 23.840 71.087 28.681 19 THR 25.638 67.914 27.617 20 LEU 29.125 67.432 29.047 21 TYR 29.993 63.898 27.941 22 THR 28.680 61.224 25.566 23 LYS 29.518 57.650 24.561 24 ALA 26.729 55.755 22.770 25 ALA 24.452 58.000 24.847 26 ASP 21.294 56.941 23.018 27 THR 22.033 53.229 22.621 28 ARG 19.475 51.017 24.368 29 ARG 20.915 48.613 26.940 30 SER 19.850 46.719 30.047 31 THR 19.600 48.808 33.226 32 GLY 20.051 46.474 36.160 33 SER 18.826 47.983 39.434 34 THR 19.125 51.553 38.145 35 THR 15.482 50.991 37.143 36 LYS 14.743 51.426 40.865 37 ILE 15.246 55.170 40.401 38 MET 11.990 55.227 38.407 39 THR 10.285 53.123 41.079 40 ALA 11.217 55.666 43.764 41 LYS 10.197 58.547 41.477 42 VAL 6.750 57.090 40.787 43 VAL 6.147 56.358 44.479 44 LEU 7.078 59.881 45.589 45 ALA 4.750 61.444 43.006 46 GLN 1.663 59.480 44.080 47 SER -1.268 61.638 45.191 48 ASN -2.052 59.370 48.138 49 LEU 1.591 59.348 49.265 50 ASN 2.194 58.978 53.015 51 LEU 5.803 58.297 54.045 52 ASP 4.548 57.014 57.408 53 ALA 2.096 54.542 55.869 54 LYS 2.901 51.015 57.073 55 VAL 3.230 47.995 54.785 56 THR 3.215 44.387 55.993 57 ILE 6.100 42.417 54.502 58 GLN 4.479 39.598 52.533 59 LYS 6.000 36.131 52.181 60 ALA 5.973 36.807 48.411 61 TYR 8.526 39.612 48.719 62 SER 10.991 37.223 50.349 63 ASP 10.247 34.291 48.030 64 TYR 10.813 36.706 45.147 65 VAL 14.350 37.782 46.074 66 VAL 15.237 34.120 46.639 67 ALA 13.766 32.892 43.350 68 ASN 15.494 35.626 41.361 69 ASN 18.665 35.713 43.427 70 ALA 18.023 39.448 43.638 71 SER 19.786 41.987 45.847 72 GLN 17.683 42.637 48.964 73 ALA 17.079 44.784 52.042 74 HIS 16.455 41.656 54.149 75 LEU 12.921 42.734 55.053 76 ILE 11.414 40.274 57.539 77 VAL 8.144 38.591 56.629 78 GLY 5.376 39.760 58.924 79 ASP 7.050 43.039 59.885 80 LYS 5.278 46.370 59.431 81 VAL 7.554 48.730 57.475 82 THR 6.901 52.354 56.498 83 VAL 7.047 53.664 52.938 84 ARG 9.964 55.874 54.004 85 GLN 11.837 52.839 55.318 86 LEU 11.017 50.998 52.054 87 LEU 12.473 53.870 50.021 88 TYR 15.753 53.605 51.954 89 GLY 15.707 49.817 51.607 90 LEU 15.139 50.275 47.892 91 MET 17.922 52.785 47.247 92 LEU 20.736 51.911 49.648 93 PRO 21.344 48.132 49.587 94 SER 19.272 47.925 46.382 95 GLY 16.386 46.065 47.961 96 CYS 14.388 44.305 45.257 97 ASP 12.090 43.051 48.033 98 ALA 11.451 46.699 48.948 99 ALA 10.761 47.423 45.260 100 TYR 8.176 44.644 45.202 101 ALA 6.606 46.043 48.381 102 LEU 6.363 49.538 46.892 103 ALA 4.833 48.307 43.624 104 ASP 2.314 46.174 45.531 105 LYS 1.404 49.197 47.632 106 TYR 1.055 51.831 44.928 107 GLY -0.164 49.903 41.902 108 SER -3.919 49.814 41.257 109 GLY -5.576 46.394 41.455 110 SER -7.244 43.749 43.608 111 THR -4.350 41.271 43.479 112 ARG -0.611 41.707 43.923 113 ALA -0.204 40.564 40.320 114 ALA -2.631 43.202 39.071 115 ARG -1.068 45.959 41.186 116 VAL 2.434 45.064 39.986 117 LYS 1.258 45.287 36.383 118 SER -0.409 48.623 37.072 119 PHE 2.698 50.028 38.781 120 ILE 4.947 49.135 35.850 121 GLY 2.431 50.947 33.653 122 LYS 2.885 54.034 35.829 123 MET 6.647 53.757 35.293 124 ASN 6.188 53.719 31.530 125 THR 3.695 56.577 31.742 126 ALA 6.278 58.587 33.671 127 ALA 8.874 57.914 30.954 128 THR 6.412 59.075 28.312 129 ASN 5.665 62.220 30.301 130 LEU 9.380 63.040 30.330 131 GLY 9.403 62.864 26.542 132 LEU 11.627 59.770 26.520 133 HIS 11.738 57.496 23.458 134 ASN 14.442 54.920 24.231 135 THR 13.144 53.609 27.553 136 HIS 10.738 50.802 28.453 137 PHE 10.035 49.054 31.733 138 ASP 8.859 45.486 32.169 139 SER 9.743 45.287 35.876 140 PHE 9.769 47.408 39.033 141 ASP 13.402 46.579 39.757 142 GLY 15.229 45.832 36.509 143 ILE 15.132 42.089 37.145 144 GLY 15.026 40.331 33.781 145 ASN 13.553 40.971 30.323 146 GLY 14.536 42.216 26.891 147 ALA 11.610 44.621 27.207 148 ASN 13.361 46.420 30.065 149 TYR 15.885 48.905 28.732 150 SER 17.019 52.518 28.688 151 THR 19.999 54.615 27.636 152 PRO 22.622 56.671 29.462 153 ARG 20.846 59.868 28.359 154 ASP 17.332 58.680 29.253 155 LEU 18.336 57.374 32.685 156 THR 20.142 60.654 33.391 157 LYS 16.961 62.542 32.520 158 ILE 14.920 60.267 34.798 159 ALA 17.425 60.818 37.611 160 SER 17.414 64.587 37.094 161 SER 13.604 64.553 37.304 162 ALA 13.656 62.427 40.472 163 MET 16.248 64.732 42.077 164 LYS 13.686 67.545 42.034 165 ASN 12.113 65.770 45.027 166 SER 13.720 66.593 48.394 167 THR 12.921 63.166 49.844 168 PHE 14.593 61.459 46.910 169 ARG 17.671 63.671 47.348 170 THR 17.830 62.950 51.058 171 VAL 17.664 59.203 50.455 172 VAL 20.234 58.807 47.683 173 LYS 22.919 60.786 49.477 174 THR 22.529 58.710 52.660 175 LYS 25.521 56.465 53.381 176 ALA 23.975 54.365 56.134 177 TYR 20.466 53.773 57.473 178 THR 19.141 51.473 60.216 179 ALA 15.426 50.679 60.050 180 LYS 13.489 50.150 63.269 181 THR 10.496 48.083 62.173 182 VAL 7.427 46.765 64.000 183 THR 7.137 43.024 64.681 184 LYS 3.994 40.899 65.041 185 THR 4.139 41.403 68.803 186 GLY 4.214 45.137 68.263 187 SER 7.799 45.264 69.490 188 ILE 10.336 47.418 67.661 189 ARG 13.012 45.507 65.787 190 THR 16.354 47.099 64.970 191 MET 17.287 45.755 61.548 192 ASP 20.902 45.287 60.490 193 THR 22.257 48.579 59.159 194 TRP 21.895 49.273 55.440 195 LYS 24.844 50.728 53.530 196 ASN 24.495 52.618 50.239 197 THR 26.088 50.565 47.437 198 ASN 27.229 53.800 45.758 199 GLY 30.927 54.067 46.643 200 LEU 31.121 57.594 45.219 201 LEU 29.303 58.819 48.333 202 SER 32.522 58.281 50.248 203 SER 35.164 58.381 47.490 204 TYR 34.061 61.420 45.474 205 SER 34.027 64.800 47.188 206 GLY 30.710 66.510 46.562 207 ALA 28.881 63.319 45.527 208 ILE 25.118 63.390 46.156 209 GLY 23.733 60.387 44.248 210 VAL 22.301 58.386 42.752 211 LYS 22.005 54.605 42.211 212 THR 24.011 51.507 41.289 213 GLY 23.163 48.518 39.102 214 ALA 24.806 45.190 38.197 215 GLY 23.437 42.154 36.359 216 PRO 24.220 39.426 33.759 217 GLU 22.860 41.521 30.917 218 ALA 23.360 45.058 32.273 219 LYS 26.838 44.422 33.669 220 TYR 28.084 47.199 35.971 221 CYS 26.008 50.371 35.982 222 LEU 25.916 53.619 37.919 223 VAL 23.816 56.780 37.809 224 PHE 25.925 59.491 39.457 225 ALA 25.609 63.097 40.632 226 ALA 27.926 65.515 42.440 227 THR 28.018 69.228 43.193 228 ARG 31.191 71.326 43.180 229 GLY 31.613 75.088 42.990 230 GLY 27.916 75.747 42.495 231 LYS 27.726 73.285 39.608 232 THR 25.951 69.917 39.638 233 VAL 27.029 67.192 37.219 234 ILE 24.640 64.274 36.740 235 GLY 25.137 61.292 34.461 236 THR 25.036 57.547 33.852 237 VAL 27.396 54.770 32.823 238 LEU 25.994 51.491 31.531 239 ALA 27.822 48.211 31.136 240 SER 31.125 49.059 32.780 241 THR 33.311 46.002 33.482 242 SER 33.360 45.885 37.278 243 ILE 32.399 47.778 40.381 244 PRO 35.783 49.525 40.748 245 ALA 35.710 50.327 37.017 246 ARG 32.201 51.782 37.142 247 GLU 33.281 54.045 39.996 248 SER 36.422 55.278 38.210 249 ASP 34.419 55.693 34.986 250 ALA 32.004 58.004 36.819 251 THR 34.821 59.762 38.659 252 LYS 36.585 60.595 35.398 253 ILE 33.410 61.850 33.705 254 MET 32.501 64.127 36.603 255 ASN 36.057 65.462 36.919 256 TYR 36.013 66.152 33.182 257 GLY 32.591 67.767 33.403 258 PHE 33.608 70.102 36.220 259 ALA 36.718 71.206 34.319 260 LEU 34.932 71.970 31.038 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S S C S S S S/S 10 S S S/T T T T S S S S 20 S/S S S S C S S S S S 30 T T T T H H H H H H 40 H H H H H H C S S S 50 S S S S S S S H H H 60 H H H H H H H H H/S S 70 S S S S S S S S/S S S 80 S S/H H H H H H H H H 90 H H H C H H H H H H 100 H H H H H H H/S S S S 110 H H H H H H H H H H 120 H H H H H H H H H H 130 H/S S S S/S S S S S S/T T 140 T T S S S S S S S S 150 S/H H H H H H H H H H 160 H H H H H H H H H H 170 H H H H S S S S S S 180 S S S/T T T T/S S S S S 190 C S S S S S S C T T 200 T T S S S S/S S S SPS S 210 S S S S S/T T T T S S 220 S S S S S S S/T T T T/S 230 S S S S S S S S S C 240 C H H H H H H H H H 250 H H H H H H H H H H Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S E E E 10 E E E e T T t e E E 20 E E E t T T t B 30 g G G G h H H H H H 40 H H H H h t T T t t 50 T T e E E E e h H H 60 H H H H H H H h T t 70 t T T e E 80 E E H H H H H H H H 90 H h S h H H H H H 100 H H H H H H h S S 110 h H H H H H H H H H 120 H H H H H H H H H h 130 T t S S B S S S 140 S S t T T t B B 150 h H H H H H H H H H 160 H H h T h H H H H H 170 H H h t e E E e E 180 E E e T T t e E E E 190 e E E e S t h H 200 H H H h T e E E E E 210 E E E E E T T T E E 220 E E E E E E E E T T 230 E E E E E E E E E E 240 S h H H H H H H H H 250 H H H H H H H H H h Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 LYS 81.3 46.9 75.9 2 PRO 99.7 80.1 42.5 3 THR 0.0 0.0 88.4 4 ILE 142.3 99.2 48.9 5 ALA 41.1 56.6 72.9 6 ALA 72.6 100.0 56.4 7 VAL 52.3 44.0 74.4 8 GLY 34.8 100.0 59.9 9 GLY 34.8 100.0 42.9 10 TYR 179.8 99.3 48.4 11 ALA 72.6 100.0 35.0 12 MET 149.1 93.6 53.2 13 ASN 97.0 80.2 51.4 14 ASN 93.4 77.3 51.6 15 GLY 0.0 0.0 82.9 16 THR 37.9 35.4 81.7 17 GLY 13.3 38.2 73.4 18 THR 26.4 24.7 78.6 19 THR 68.7 64.2 63.8 20 LEU 129.5 87.6 43.3 21 TYR 173.5 95.9 33.0 22 THR 62.7 58.6 58.6 23 LYS 101.7 58.6 70.9 24 ALA 39.8 54.8 82.3 25 ALA 69.9 96.3 54.3 26 ASP 58.1 52.6 74.6 27 THR 52.1 48.7 74.2 28 ARG 106.4 50.9 72.2 29 ARG 138.7 66.4 57.0 30 SER 55.1 65.9 62.0 31 THR 106.8 99.9 56.2 32 GLY 26.6 76.4 67.0 33 SER 68.4 81.8 67.5 34 THR 106.9 100.0 42.9 35 THR 106.5 99.6 56.8 36 LYS 173.4 100.0 49.2 37 ILE 143.3 99.9 31.3 38 MET 158.4 99.4 28.7 39 THR 106.9 100.0 35.4 40 ALA 71.5 98.5 34.7 41 LYS 136.6 78.8 48.0 42 VAL 111.7 94.0 41.7 43 VAL 118.8 100.0 27.6 44 LEU 142.7 96.5 39.9 45 ALA 16.8 23.2 85.4 46 GLN 122.6 82.5 59.2 47 SER 0.0 0.0 89.4 48 ASN 24.7 20.5 78.3 49 LEU 120.0 81.2 55.8 50 ASN 42.5 35.1 72.7 51 LEU 115.4 78.1 54.9 52 ASP 31.4 28.5 83.1 53 ALA 55.7 76.7 71.2 54 LYS 78.0 45.0 64.7 55 VAL 106.4 89.5 51.0 56 THR 55.5 51.9 69.7 57 ILE 143.0 99.7 39.0 58 GLN 88.9 59.8 67.3 59 LYS 48.7 28.1 78.1 60 ALA 48.4 66.6 64.3 61 TYR 176.2 97.4 40.4 62 SER 53.4 63.9 60.0 63 ASP 44.5 40.3 67.8 64 TYR 138.9 76.7 53.4 65 VAL 115.8 97.5 53.2 66 VAL 20.8 17.5 82.1 67 ALA 16.7 22.9 82.4 68 ASN 73.5 60.8 55.3 69 ASN 5.9 4.9 90.5 70 ALA 69.9 96.3 47.9 71 SER 33.6 40.1 80.2 72 GLN 95.7 64.4 64.8 73 ALA 72.6 100.0 38.7 74 HIS 43.2 28.8 82.8 75 LEU 147.5 99.8 31.4 76 ILE 76.5 53.3 75.4 77 VAL 73.1 61.5 63.1 78 GLY 29.9 86.0 60.8 79 ASP 109.0 98.6 56.6 80 LYS 119.4 68.9 60.7 81 VAL 118.4 99.7 39.0 82 THR 86.2 80.7 59.9 83 VAL 118.8 100.0 35.6 84 ARG 121.0 57.9 62.8 85 GLN 127.1 85.5 52.7 86 LEU 147.8 100.0 33.6 87 LEU 145.8 98.6 27.9 88 TYR 161.3 89.1 36.4 89 GLY 34.8 100.0 39.2 90 LEU 147.8 100.0 39.5 91 MET 158.1 99.2 34.8 92 LEU 147.8 100.0 50.0 93 PRO 106.6 85.6 55.9 94 SER 76.6 91.6 64.0 95 GLY 34.8 100.0 64.6 96 CYS 98.4 99.2 49.5 97 ASP 107.9 97.6 41.7 98 ALA 72.6 100.0 42.7 99 ALA 72.6 100.0 41.5 100 TYR 150.2 83.0 36.2 101 ALA 72.6 100.0 39.5 102 LEU 147.8 100.0 31.4 103 ALA 72.6 100.0 40.7 104 ASP 102.5 92.7 59.2 105 LYS 107.6 62.1 59.1 106 TYR 177.5 98.0 45.0 107 GLY 34.8 100.0 55.8 108 SER 10.4 12.5 79.2 109 GLY 18.3 52.6 67.9 110 SER 0.0 0.0 83.0 111 THR 29.6 27.7 75.1 112 ARG 138.7 66.4 62.4 113 ALA 2.9 4.0 79.4 114 ALA 33.8 46.6 74.4 115 ARG 152.9 73.2 74.4 116 VAL 92.6 77.9 45.4 117 LYS 16.2 9.3 83.8 118 SER 55.0 65.8 62.7 119 PHE 166.8 100.0 38.4 120 ILE 116.9 81.4 55.3 121 GLY 4.8 13.9 78.8 122 LYS 112.8 65.0 70.0 123 MET 159.4 100.0 38.0 124 ASN 89.5 74.0 60.0 125 THR 31.3 29.3 80.9 126 ALA 57.4 79.0 54.7 127 ALA 68.4 94.2 46.8 128 THR 19.9 18.6 85.2 129 ASN 33.4 27.7 72.2 130 LEU 109.5 74.1 59.6 131 GLY 3.0 8.6 85.6 132 LEU 142.4 96.4 46.4 133 HIS 11.9 7.9 89.1 134 ASN 85.7 70.9 69.6 135 THR 106.9 100.0 39.6 136 HIS 83.1 55.3 68.4 137 PHE 166.4 99.8 40.1 138 ASP 59.3 53.6 65.5 139 SER 72.8 87.1 67.5 140 PHE 156.6 93.9 34.9 141 ASP 110.4 99.9 37.2 142 GLY 34.8 100.0 73.1 143 ILE 100.9 70.3 65.7 144 GLY 0.0 0.0 80.2 145 ASN 72.6 60.0 70.4 146 GLY 0.0 0.0 84.8 147 ALA 35.3 48.7 65.4 148 ASN 117.4 97.1 64.4 149 TYR 130.4 72.0 63.9 150 SER 83.6 100.0 40.6 151 THR 106.9 100.0 53.6 152 PRO 124.5 100.0 51.0 153 ARG 142.4 68.2 65.1 154 ASP 103.3 93.4 58.2 155 LEU 146.3 99.0 41.6 156 THR 106.9 100.0 47.9 157 LYS 105.5 60.8 57.8 158 ILE 143.1 99.7 31.4 159 ALA 72.6 100.0 36.8 160 SER 66.7 79.8 60.3 161 SER 70.4 84.2 57.4 162 ALA 69.9 96.3 46.5 163 MET 149.3 93.7 37.7 164 LYS 26.0 15.0 89.6 165 ASN 69.6 57.6 69.7 166 SER 20.3 24.3 85.7 167 THR 73.3 68.6 49.9 168 PHE 164.7 98.8 30.0 169 ARG 119.4 57.1 65.5 170 THR 42.5 39.8 76.2 171 VAL 115.1 96.9 39.9 172 VAL 118.7 99.9 43.2 173 LYS 82.3 47.5 69.9 174 THR 77.3 72.3 62.2 175 LYS 56.8 32.8 71.0 176 ALA 40.5 55.8 54.9 177 TYR 131.9 72.9 44.2 178 THR 75.4 70.6 66.9 179 ALA 72.0 99.1 35.5 180 LYS 67.0 38.7 74.0 181 THR 106.0 99.2 48.0 182 VAL 94.1 79.2 59.2 183 THR 92.3 86.3 72.6 184 LYS 37.6 21.7 80.4 185 THR 16.1 15.0 83.1 186 GLY 8.6 24.8 76.4 187 SER 26.2 31.4 78.5 188 ILE 67.2 46.8 67.4 189 ARG 128.7 61.6 62.5 190 THR 46.1 43.1 65.0 191 MET 150.6 94.5 54.5 192 ASP 0.0 0.0 88.9 193 THR 64.1 60.0 65.3 194 TRP 195.6 95.4 38.9 195 LYS 44.7 25.8 76.7 196 ASN 117.6 97.3 56.3 197 THR 57.6 53.8 79.7 198 ASN 120.3 99.5 53.2 199 GLY 11.5 33.1 85.9 200 LEU 147.8 100.0 47.5 201 LEU 142.6 96.5 60.4 202 SER 22.5 27.0 76.0 203 SER 40.1 48.0 79.2 204 TYR 175.3 96.9 51.6 205 SER 4.1 4.9 86.9 206 GLY 13.1 37.7 80.2 207 ALA 72.5 99.9 51.7 208 ILE 103.1 71.9 53.0 209 GLY 34.8 100.0 51.1 210 VAL 118.8 100.0 29.8 211 LYS 171.9 99.1 47.7 212 THR 101.0 94.5 60.3 213 GLY 31.8 91.3 59.6 214 ALA 48.6 66.9 62.3 215 GLY 18.6 53.5 58.5 216 PRO 19.3 15.5 74.5 217 GLU 24.6 17.7 80.7 218 ALA 69.4 95.5 59.7 219 LYS 71.7 41.4 76.4 220 TYR 111.0 61.3 58.2 221 CYS 99.2 100.0 53.9 222 LEU 146.6 99.2 41.3 223 VAL 118.8 100.0 35.4 224 PHE 166.8 100.0 37.6 225 ALA 72.6 100.0 34.2 226 ALA 72.6 100.0 39.9 227 THR 61.7 57.7 60.4 228 ARG 124.6 59.6 62.8 229 GLY 0.0 0.0 84.2 230 GLY 0.0 0.0 76.4 231 LYS 103.7 59.8 76.9 232 THR 78.4 73.3 55.7 233 VAL 118.8 100.0 37.0 234 ILE 142.8 99.5 36.0 235 GLY 34.8 100.0 46.7 236 THR 106.9 100.0 42.2 237 VAL 118.8 100.0 37.3 238 LEU 147.7 99.9 40.9 239 ALA 59.1 81.5 52.1 240 SER 83.6 100.0 51.9 241 THR 29.7 27.8 69.9 242 SER 47.0 56.2 55.5 243 ILE 57.0 39.7 67.5 244 PRO 28.4 22.8 74.2 245 ALA 52.5 72.3 79.0 246 ARG 196.7 94.2 42.2 247 GLU 99.6 71.9 59.3 248 SER 34.6 41.4 70.9 249 ASP 108.8 98.5 47.4 250 ALA 72.6 100.0 35.6 251 THR 64.9 60.8 58.0 252 LYS 94.0 54.2 68.7 253 ILE 143.4 100.0 29.3 254 MET 159.4 100.0 35.1 255 ASN 63.9 52.9 69.0 256 TYR 126.3 69.8 52.8 257 GLY 34.7 99.8 47.1 258 PHE 148.7 89.1 54.4 259 ALA 11.4 15.6 85.3 260 LEU 88.1 59.6 69.3