Protein Data Bank File : 1ad4b Title : TRANSFERASE 20-FEB-97 1AD4 Number of Amino Acid Residues : 248 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 THR LYS THR LYS ILE MET GLY ILE LEU ASN 10 VAL THR ASN VAL GLU SER ALA VAL THR ARG 20 VAL LYS ALA MET MET ASP GLU GLY ALA ASP 30 ILE ILE ASP VAL GLY GLY VAL MET ILE THR 40 VAL GLU GLU GLU LEU ASN ARG VAL LEU PRO 50 VAL VAL GLU ALA ILE VAL GLY PHE ASP VAL 60 LYS ILE SER VAL ASP THR PHE ARG SER GLU 70 VAL ALA GLU ALA CYS LEU LYS LEU GLY VAL 80 ASP ILE ILE ASN ASP GLN TRP ALA GLY LEU 90 TYR ASP HIS ARG MET PHE GLN VAL VAL ALA 100 LYS TYR ASP ALA GLU ILE VAL LEU MET HIS 110 ASN GLY ASN GLY ASN ARG ASP GLU PRO VAL 120 VAL GLU GLU MET LEU THR SER LEU LEU ALA 130 GLN ALA HIS GLN ALA LYS ILE ALA GLY ILE 140 PRO SER ASN LYS ILE TRP LEU ASP PRO GLY 150 ILE GLY PHE ALA LYS THR ARG ASN GLU GLU 160 ALA GLU VAL MET ALA ARG LEU ASP GLU LEU 170 VAL ALA THR GLU TYR PRO VAL LEU LEU ALA 180 THR SER ARG LYS ARG PHE THR LYS GLU MET 190 MET GLY TYR ASP THR THR PRO VAL GLU ARG 200 ASP GLU VAL THR ALA ALA THR THR ALA TYR 210 GLY ILE MET LYS GLY VAL ARG ALA VAL ARG 220 VAL HIS ASN VAL GLU LEU ASN ALA LYS LEU 230 ALA LYS GLY ILE ASP PHE LEU LYS GLU ASN 240 GLU ASN ALA ARG HIS ASN PHE SER Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 THR 0.0 -29.0 -179.3 48.9 2 LYS -88.5 144.7 179.0 160.7 -152.4 171.7 137.6 3 THR -76.7 128.3 179.8 -58.2 4 LYS -78.7 142.7 177.9 -50.2 -109.6 153.8 -147.5 5 ILE -111.1 106.3 178.5 -53.1 -62.5 6 MET -91.7 112.4 -179.0 173.1 -177.0 -88.9 7 GLY -82.5 147.6 -179.8 8 ILE -96.1 128.9 177.5 -63.6 175.1 9 LEU -128.4 99.8 179.2 -169.9 87.2 10 ASN -88.0 132.6 -177.2 -71.6 -47.0 11 VAL -110.3 40.5 177.8 -88.3 12 THR -95.8 38.8 33.5 -55.4 13 ASN -56.6 151.9 174.4 -119.5 -45.5 14 VAL -77.1 -43.1 177.8 -69.2 15 GLU -49.5 -53.8 -180.0 -77.3 -174.7 13.5 16 SER -64.0 -38.2 178.4 64.3 17 ALA -58.1 -48.0 -180.0 18 VAL -57.6 -51.8 178.1 168.1 19 THR -57.0 -43.2 179.6 -65.5 20 ARG -64.7 -34.8 179.5 179.8 58.2 -168.8 146.8 21 VAL -65.7 -49.7 178.8 165.8 22 LYS -59.1 -38.1 179.0 -59.7 -56.0 -58.4 -147.5 23 ALA -61.8 -40.5 -179.7 24 MET -69.0 -42.5 178.7 -72.4 158.4 87.5 25 MET -54.4 -44.7 180.0 -74.0 179.6 62.5 26 ASP -60.9 -37.8 179.4 -136.5 73.3 27 GLU -79.2 -5.6 178.4 -76.3 176.3 45.1 28 GLY 114.2 11.2 -179.5 29 ALA -69.6 126.2 178.2 30 ASP -85.6 -44.1 178.0 -66.7 -53.1 31 ILE -121.9 136.4 174.3 -45.3 133.6 32 ILE -100.8 116.3 178.7 -56.0 -51.6 33 ASP -94.3 112.4 178.8 -168.8 46.6 34 VAL -98.3 138.6 -178.1 -179.1 35 GLY -158.0 141.7 179.6 36 GLY -152.0 55.5 -179.0 37 VAL -156.7 147.1 53.5 65.7 38 MET -105.2 120.3 -179.9 -174.6 57.5 158.7 39 ILE -106.3 174.5 -177.6 56.6 169.4 40 THR -79.0 146.3 176.1 -81.0 41 VAL -49.3 -54.1 178.7 159.0 42 GLU -51.8 -42.7 178.9 178.9 169.6 -57.5 43 GLU -67.4 -40.1 179.7 -57.3 -165.6 -70.6 44 GLU -63.8 -42.1 179.4 -176.4 178.8 -8.5 45 LEU -67.5 -30.1 -179.7 -78.3 146.9 46 ASN -66.5 -25.7 179.5 -86.7 14.0 47 ARG -94.0 -45.2 -176.3 -66.6 165.9 -161.3 -163.1 48 VAL -79.5 -45.3 -178.8 157.9 49 LEU -50.7 -52.0 -179.8 -131.2 62.3 50 PRO -56.4 -31.3 179.3 -29.5 44.7 51 VAL -74.2 -52.1 -179.5 176.8 52 VAL -54.3 -39.1 178.7 166.0 53 GLU -63.8 -37.0 -178.8 -79.2 161.7 20.4 54 ALA -74.6 -39.6 -175.8 55 ILE -98.3 -10.0 -175.9 70.6 170.0 56 VAL -69.7 -18.4 178.1 72.7 57 GLY -76.1 -21.7 179.0 58 PHE -63.8 157.8 -178.2 -64.9 -32.6 59 ASP -85.9 69.6 179.0 -158.9 -0.7 60 VAL -161.4 155.1 -180.0 65.7 61 LYS -81.6 139.3 178.5 -67.7 168.8 179.2 -135.3 62 ILE -109.5 122.3 175.8 -55.9 -57.3 63 SER -103.5 150.6 176.4 174.3 64 VAL -128.5 117.4 179.3 159.6 65 ASP -77.3 91.2 179.4 -169.5 -10.7 66 THR -147.9 157.6 -179.5 -172.8 67 PHE -126.3 14.0 179.1 49.0 81.1 68 ARG -124.8 122.6 -178.1 -58.6 -177.0 -81.4 -170.9 69 SER -49.0 -34.9 179.1 57.4 70 GLU -61.3 -41.2 -179.7 -61.5 91.0 -27.4 71 VAL -74.6 -40.9 179.6 -169.3 72 ALA -63.7 -40.9 -179.5 73 GLU -67.6 -38.5 179.3 174.9 150.2 42.9 74 ALA -69.6 -36.1 178.9 75 CYS -66.8 -47.2 177.7 -77.1 76 LEU -63.1 -25.5 177.9 -64.1 172.6 77 LYS -72.3 -25.2 179.5 -67.9 157.1 121.8 105.8 78 LEU -81.2 -6.2 178.9 -69.0 171.6 79 GLY 99.5 30.5 -179.7 80 VAL -77.0 150.1 -177.8 160.8 81 ASP -96.1 -33.5 -175.3 -58.6 -71.0 82 ILE -135.8 149.4 173.2 -58.5 151.2 83 ILE -122.3 114.8 -178.0 -82.3 142.3 84 ASN -90.6 98.8 -176.9 177.7 11.4 85 ASP -101.7 109.1 178.5 -176.4 0.7 86 GLN -62.2 -18.1 179.6 -74.8 175.3 19.5 87 TRP -101.1 -7.5 -179.6 -85.2 113.8 88 ALA 59.8 42.4 -179.7 89 GLY 73.3 2.9 -179.8 90 LEU -72.2 -38.3 -179.7 -75.7 178.8 91 TYR -68.0 -38.9 178.6 -169.2 -79.1 92 ASP -141.7 99.3 179.7 -180.0 -5.6 93 HIS -49.4 -27.2 179.0 61.7 -79.1 94 ARG -70.6 2.7 179.0 -56.8 170.1 -62.3 158.4 95 MET -70.8 -40.6 179.5 -175.4 60.2 97.2 96 PHE -58.1 -41.4 179.8 -64.4 -45.5 97 GLN -70.3 -39.2 -179.6 -62.0 140.9 25.8 98 VAL -63.2 -41.7 -179.0 170.3 99 VAL -70.6 -45.0 -179.8 174.4 100 ALA -57.1 -39.3 -178.1 101 LYS -64.2 -22.6 -178.1 -173.2 168.4 149.4 177.3 102 TYR -118.3 15.5 -179.4 -67.4 -88.7 103 ASP 40.1 64.7 -176.8 -113.8 56.4 104 ALA -121.1 177.0 178.5 105 GLU -104.5 161.6 179.9 -63.6 170.1 74.8 106 ILE -144.0 142.9 176.8 -179.9 159.6 107 VAL -105.9 137.3 178.9 -171.1 108 LEU -112.0 100.7 178.9 -54.6 -175.8 109 MET -86.9 132.8 177.5 -176.9 -179.5 98.5 110 HIS -67.6 133.0 -178.5 179.2 -123.6 111 ASN -156.1 174.1 178.9 -153.6 162.4 112 GLY 57.4 -175.8 179.9 113 ASN 57.5 33.9 179.9 -163.2 26.5 114 GLY -46.4 -31.3 -177.8 115 ASN -104.9 31.8 179.0 -70.6 -71.5 116 ARG -38.7 147.6 179.4 55.9 -171.7 67.4 86.7 117 ASP -73.7 -72.0 179.5 -145.2 -66.8 118 GLU -60.8 158.2 179.1 36.8 -170.7 -0.6 119 PRO -59.1 151.1 -176.4 -29.9 44.6 120 VAL -52.6 -39.7 -179.2 67.4 121 VAL -69.1 -48.7 178.6 170.1 122 GLU -59.2 -42.4 -179.8 -19.8 -46.6 -62.3 123 GLU -63.3 -46.8 179.9 -165.6 -90.2 -35.6 124 MET -60.5 -45.2 179.4 168.2 -169.4 50.3 125 LEU -61.5 -49.3 179.5 -74.2 -178.8 126 THR -56.7 -49.6 -179.5 -61.7 127 SER -67.3 -50.2 -179.6 -172.2 128 LEU -61.2 -42.5 -179.8 -75.8 179.5 129 LEU -67.4 -34.3 178.1 -62.3 176.8 130 ALA -64.9 -38.1 179.8 131 GLN -70.6 -34.1 178.7 -73.0 -43.1 -75.6 132 ALA -62.6 -45.5 179.3 133 HIS -58.7 -42.6 177.7 177.0 -92.8 134 GLN -62.5 -41.5 -179.6 -66.5 -65.6 -78.4 135 ALA -58.5 -49.5 180.0 136 LYS -63.5 -44.7 179.6 -65.7 174.8 -173.4 172.0 137 ILE -69.4 3.0 176.7 74.5 -175.5 138 ALA -100.5 -13.8 178.7 139 GLY 108.0 10.3 178.8 140 ILE -85.5 128.7 179.9 -65.1 167.2 141 PRO -61.3 145.0 176.2 -24.7 40.1 142 SER -46.6 -43.3 -176.6 -137.4 143 ASN -84.0 9.0 179.5 54.0 -55.8 144 LYS -114.9 4.7 -179.4 -74.6 -175.2 169.9 165.3 145 ILE -104.9 122.4 177.7 -63.9 155.6 146 TRP -108.1 151.2 177.6 -63.8 70.3 147 LEU -113.8 144.6 -179.4 -62.3 -164.8 148 ASP -134.0 126.0 -178.9 179.8 -15.0 149 PRO -64.9 -14.7 178.8 32.5 -42.3 150 GLY 66.4 56.3 176.7 151 ILE -65.5 130.6 -179.3 -70.3 -41.5 152 GLY 99.9 -0.2 179.9 153 PHE -127.1 133.7 178.0 -61.0 84.5 154 ALA 42.2 33.2 179.2 155 LYS -136.6 139.5 -179.7 -69.8 -175.1 -75.1 -56.6 156 THR -78.4 168.9 178.9 64.8 157 ARG -52.3 -40.7 -179.3 -70.8 -172.6 171.7 84.2 158 ASN -70.3 -36.4 -179.7 -131.1 -91.0 159 GLU -67.9 -41.1 179.3 -71.9 180.0 -49.9 160 GLU -69.0 -33.6 179.4 -55.0 -166.4 -38.3 161 ALA -66.6 -34.8 178.7 162 GLU -67.7 -47.5 179.4 -174.0 71.2 5.7 163 VAL -59.5 -41.2 -178.7 164.8 164 MET -74.9 -12.4 178.7 -68.9 -70.5 -57.6 165 ALA -96.5 -1.5 -177.5 166 ARG -138.1 37.4 179.7 -57.5 -151.7 -90.2 153.9 167 LEU -60.9 -28.3 -179.4 -68.4 -176.7 168 ASP -56.5 -34.4 178.5 52.6 -71.4 169 GLU -71.4 -26.5 176.9 -57.6 176.6 36.1 170 LEU -80.0 -44.1 178.3 -172.2 56.6 171 VAL -57.7 -43.3 179.9 176.4 172 ALA -55.7 -12.9 179.1 173 THR -77.7 -4.1 178.9 62.4 174 GLU 70.1 -0.5 176.0 -74.7 -179.9 43.3 175 TYR -82.3 149.4 179.1 -73.8 -86.0 176 PRO -67.9 131.0 -178.5 27.3 -37.7 177 VAL -101.2 125.8 175.9 173.3 178 LEU -96.9 120.7 176.3 170.0 79.9 179 LEU -93.8 132.3 -178.3 -174.3 55.5 180 ALA -139.9 87.3 -177.8 181 THR -119.2 -10.8 -176.0 64.3 182 SER -37.6 109.3 176.6 -174.8 183 ARG 64.8 18.5 -178.1 -61.9 -170.3 179.8 163.3 184 LYS -82.8 175.0 -179.7 -76.4 171.2 173.3 -168.9 185 ARG -53.3 -40.7 -179.5 177.6 -174.6 76.3 -165.0 186 PHE -58.7 -38.5 180.0 -174.2 86.3 187 THR -78.4 -27.1 179.6 65.7 188 LYS -65.4 -42.1 -178.4 -163.0 176.8 81.3 177.7 189 GLU -76.7 -16.7 176.1 -67.1 179.9 15.5 190 MET -69.0 -39.6 178.1 -76.1 178.3 87.1 191 MET -65.9 -34.1 177.8 -69.9 -90.0 80.1 192 GLY 90.2 1.7 177.6 193 TYR -142.8 -175.6 -176.8 64.2 -78.2 194 ASP -88.4 78.4 -178.2 -166.3 44.5 195 THR -79.2 162.1 176.3 77.5 196 THR -83.4 161.1 -179.8 79.8 197 PRO -46.2 -58.8 -179.7 -36.6 46.1 198 VAL -53.9 -36.0 179.5 159.5 199 GLU -61.9 -11.9 -178.6 -52.8 -166.6 -86.5 200 ARG -91.7 1.0 -179.5 -55.0 169.8 -149.1 174.4 201 ASP -61.2 -42.4 178.9 -72.8 -7.6 202 GLU -64.4 -35.1 -179.5 -63.2 87.7 -11.8 203 VAL -79.0 -28.6 176.3 -87.0 204 THR -64.3 -46.9 177.4 -63.4 205 ALA -57.4 -31.5 178.3 206 ALA -65.6 -42.5 178.9 207 THR -63.9 -36.8 177.4 56.4 208 THR -59.2 -54.7 -178.5 -68.4 209 ALA -58.2 -53.0 -179.5 210 TYR -57.5 -43.6 179.7 177.2 77.1 211 GLY -65.8 -48.0 179.1 212 ILE -55.6 -35.0 179.0 -67.8 165.8 213 MET -76.0 -20.3 176.2 -61.3 -155.9 67.0 214 LYS -87.8 -6.2 178.9 -111.6 56.3 -160.1 -164.2 215 GLY 105.8 4.3 178.2 216 VAL -56.8 141.8 -179.5 142.9 217 ARG -101.3 -12.6 179.3 -68.5 -129.4 -97.3 -58.9 218 ALA -147.9 158.9 176.9 219 VAL -135.7 135.4 -179.9 -57.5 220 ARG -100.0 118.1 -174.9 -179.2 -179.6 -179.4 -88.7 221 VAL -142.3 157.0 178.1 -53.2 222 HIS -82.7 -49.7 179.9 -63.0 94.8 223 ASN -89.4 98.2 -178.3 -169.2 -28.0 224 VAL -65.6 -60.9 -178.9 174.4 225 GLU -47.2 -51.4 -178.5 -169.4 165.6 -50.9 226 LEU -59.3 -50.0 179.8 -178.7 54.0 227 ASN -70.9 -39.0 178.7 -67.8 98.1 228 ALA -55.0 -51.1 179.3 229 LYS -73.2 -32.3 178.5 -69.5 153.3 129.4 158.2 230 LEU -71.3 -40.5 -178.9 -147.6 -38.8 231 ALA -64.6 -41.3 178.3 232 LYS -53.1 -51.9 179.6 -175.1 -177.6 -155.8 -178.1 233 GLY -57.8 -45.2 179.7 234 ILE -65.7 -46.0 177.3 -61.8 -73.2 235 ASP -52.3 -49.4 178.6 -74.6 -12.5 236 PHE -54.7 -48.2 -178.4 -179.8 -79.0 237 LEU -63.1 -39.1 179.9 -69.4 149.5 238 LYS -67.6 -46.4 179.5 -64.3 170.6 70.1 -157.6 239 GLU -59.4 -48.8 177.9 -161.3 51.4 15.1 240 ASN -58.3 -40.7 179.7 176.0 60.5 241 GLU -64.3 -41.3 -179.8 -178.6 174.1 -17.4 242 ASN -65.4 -47.5 -179.8 -73.6 -14.5 243 ALA -54.7 -54.6 -179.3 244 ARG -65.2 -21.9 177.8 -50.8 -77.7 85.1 60.7 245 HIS -102.0 1.3 -179.4 -73.3 81.6 246 ASN 56.2 37.8 -179.4 -137.1 44.1 247 PHE -100.1 147.4 178.4 -165.0 72.8 248 SER -136.8 -78.6 0.0 -125.7 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 THR 11.697 11.859 16.571 2 LYS 11.195 9.313 19.452 3 THR 11.382 5.460 19.189 4 LYS 7.956 3.851 19.591 5 ILE 7.458 1.125 22.161 6 MET 4.901 -1.492 21.035 7 GLY 3.800 -3.593 24.022 8 ILE 2.839 -7.240 23.604 9 LEU -0.550 -8.440 24.806 10 ASN -1.222 -12.092 24.011 11 VAL -4.848 -13.069 24.370 12 THR -4.507 -16.864 24.428 13 ASN -9.925 -12.401 31.072 14 VAL -10.938 -9.126 29.422 15 GLU -10.729 -7.703 32.983 16 SER -7.126 -8.808 33.485 17 ALA -6.293 -7.644 29.922 18 VAL -7.685 -4.211 30.725 19 THR -5.660 -3.952 33.950 20 ARG -2.565 -5.129 32.043 21 VAL -3.144 -2.532 29.345 22 LYS -3.232 0.337 31.826 23 ALA -0.111 -1.145 33.417 24 MET 1.576 -1.134 29.989 25 MET 0.432 2.386 29.099 26 ASP 1.967 3.312 32.429 27 GLU 5.297 1.633 31.730 28 GLY 5.603 3.621 28.519 29 ALA 3.779 1.703 25.764 30 ASP 2.943 3.789 22.682 31 ILE 1.136 0.936 20.941 32 ILE -0.575 -2.051 22.552 33 ASP -0.250 -5.050 20.194 34 VAL -3.106 -7.528 20.843 35 GLY -2.841 -11.013 19.365 36 GLY -4.357 -14.451 19.697 37 VAL -3.370 -16.609 16.713 38 MET -4.304 -23.159 13.300 39 ILE -7.690 -21.959 14.600 40 THR -10.894 -20.734 13.032 41 VAL -11.480 -17.100 11.998 42 GLU -14.514 -17.354 14.345 43 GLU -12.329 -18.776 17.179 44 GLU -9.740 -16.039 16.667 45 LEU -12.458 -13.407 16.805 46 ASN -13.868 -15.033 19.952 47 ARG -10.578 -14.351 21.764 48 VAL -9.423 -11.109 20.318 49 LEU -12.677 -9.152 19.883 50 PRO -13.851 -8.903 23.532 51 VAL -10.461 -7.446 24.456 52 VAL -10.311 -4.957 21.597 53 GLU -13.813 -3.659 22.526 54 ALA -12.704 -3.087 26.092 55 ILE -9.366 -1.343 25.427 56 VAL -9.802 0.632 22.212 57 GLY -11.321 3.621 24.028 58 PHE -8.080 4.158 25.945 59 ASP -5.581 6.805 24.926 60 VAL -3.008 4.576 23.252 61 LYS -2.754 3.121 19.731 62 ILE -4.022 -0.437 19.345 63 SER -2.267 -2.746 16.953 64 VAL -3.793 -6.082 16.184 65 ASP -1.561 -9.048 15.284 66 THR -3.665 -10.854 12.667 67 PHE -3.275 -12.087 9.095 68 ARG -6.900 -12.536 8.024 69 SER -8.915 -9.606 6.727 70 GLU -12.043 -10.824 8.561 71 VAL -10.313 -10.463 11.957 72 ALA -8.640 -7.231 10.894 73 GLU -11.977 -5.739 9.663 74 ALA -14.043 -6.401 12.784 75 CYS -11.199 -4.956 14.830 76 LEU -10.922 -1.861 12.589 77 LYS -14.686 -1.143 12.856 78 LEU -14.119 -0.847 16.623 79 GLY -11.487 1.834 15.998 80 VAL -8.181 -0.089 15.916 81 ASP -5.113 1.741 14.481 82 ILE -2.715 -0.868 13.134 83 ILE -2.794 -4.353 11.716 84 ASN 0.373 -6.227 12.451 85 ASP 0.335 -8.779 9.688 86 GLN 2.853 -11.595 10.120 87 TRP 2.255 -12.613 6.533 88 ALA 2.569 -9.096 5.054 89 GLY -0.713 -9.584 3.200 90 LEU 0.513 -12.841 1.649 91 TYR -1.963 -14.984 3.516 92 ASP -5.035 -12.916 2.538 93 HIS -4.670 -10.305 -0.298 94 ARG -7.847 -8.615 1.037 95 MET -5.917 -7.273 4.037 96 PHE -4.722 -4.422 1.925 97 GLN -8.319 -3.431 1.094 98 VAL -9.556 -3.675 4.657 99 VAL -6.744 -1.453 5.840 100 ALA -7.046 1.112 3.041 101 LYS -10.709 1.237 3.912 102 TYR -10.150 2.293 7.517 103 ASP -7.193 4.600 7.028 104 ALA -5.008 2.548 9.303 105 GLU -1.389 1.493 9.431 106 ILE -0.076 -1.969 8.624 107 VAL 3.142 -3.822 9.462 108 LEU 4.586 -6.129 6.833 109 MET 6.549 -8.860 8.561 110 HIS 8.991 -10.897 6.494 111 ASN 7.861 -14.541 6.567 112 GLY 7.839 -17.659 4.382 113 ASN 10.060 -18.777 1.515 114 GLY 12.313 -20.614 3.972 115 ASN 14.208 -22.483 1.257 116 ARG 14.928 -19.344 -0.764 117 ASP 17.246 -19.141 -3.775 118 GLU 18.805 -15.737 -3.085 119 PRO 20.567 -14.648 0.147 120 VAL 18.122 -13.722 2.926 121 VAL 18.611 -9.949 2.834 122 GLU 18.081 -9.559 -0.932 123 GLU 15.043 -11.910 -0.607 124 MET 13.553 -10.138 2.420 125 LEU 13.943 -6.758 0.693 126 THR 12.448 -8.044 -2.576 127 SER 9.457 -9.648 -0.845 128 LEU 8.801 -6.848 1.613 129 LEU 9.055 -4.146 -1.078 130 ALA 6.786 -6.182 -3.322 131 GLN 4.229 -6.355 -0.482 132 ALA 4.553 -2.596 0.124 133 HIS 3.707 -1.941 -3.532 134 GLN 0.569 -4.103 -3.182 135 ALA -0.434 -2.197 -0.051 136 LYS -0.196 1.119 -1.917 137 ILE -2.018 0.055 -5.066 138 ALA -4.858 -0.762 -2.668 139 GLY -4.878 2.871 -1.590 140 ILE -2.879 2.657 1.641 141 PRO -0.534 5.612 2.097 142 SER 3.223 5.187 1.744 143 ASN 3.803 6.547 5.242 144 LYS 1.458 4.064 6.947 145 ILE 3.427 0.964 5.999 146 TRP 6.001 -0.513 8.385 147 LEU 8.465 -3.260 7.574 148 ASP 9.496 -5.947 10.079 149 PRO 12.455 -8.293 9.406 150 GLY 10.552 -11.070 11.088 151 ILE 13.118 -12.444 13.502 152 GLY 12.018 -15.952 14.370 153 PHE 10.339 -16.718 11.046 154 ALA 11.412 -18.799 8.046 155 LYS 15.101 -18.148 8.721 156 THR 17.981 -20.358 9.902 157 ARG 20.286 -19.277 12.796 158 ASN 22.780 -18.106 10.251 159 GLU 20.215 -16.190 8.215 160 GLU 18.975 -14.188 11.213 161 ALA 22.527 -13.384 12.293 162 GLU 23.030 -11.998 8.783 163 VAL 19.819 -10.028 8.997 164 MET 20.803 -8.583 12.388 165 ALA 24.184 -7.387 11.130 166 ARG 22.558 -5.483 8.280 167 LEU 19.511 -3.741 9.711 168 ASP 20.699 -0.474 8.090 169 GLU 19.714 -1.789 4.652 170 LEU 16.133 -2.420 5.796 171 VAL 16.074 1.019 7.443 172 ALA 17.479 2.417 4.160 173 THR 14.205 1.551 2.332 174 GLU 12.837 4.588 4.180 175 TYR 9.773 2.756 5.444 176 PRO 9.543 2.877 9.228 177 VAL 11.073 -0.324 10.684 178 LEU 9.646 -2.282 13.605 179 LEU 12.207 -4.571 15.320 180 ALA 10.583 -7.587 17.010 181 THR 13.066 -10.007 18.623 182 SER 11.759 -10.083 22.207 183 ARG 12.537 -13.327 24.063 184 LYS 12.920 -15.198 20.781 185 ARG 15.367 -17.988 19.935 186 PHE 17.744 -15.339 18.658 187 THR 17.785 -13.664 22.069 188 LYS 18.033 -17.032 23.786 189 GLU 21.166 -17.645 21.812 190 MET 22.637 -14.227 22.548 191 MET 22.577 -15.428 26.205 192 GLY 24.194 -18.648 25.004 193 TYR 22.223 -21.233 26.976 194 ASP 18.727 -22.624 27.374 195 THR 17.379 -19.709 29.327 196 THR 13.789 -19.314 30.395 197 PRO 11.796 -16.554 28.466 198 VAL 11.934 -13.853 31.147 199 GLU 15.711 -14.318 31.426 200 ARG 15.867 -12.879 27.899 201 ASP 14.698 -9.342 28.701 202 GLU 18.170 -7.884 29.084 203 VAL 19.437 -9.183 25.706 204 THR 16.177 -8.067 24.129 205 ALA 16.848 -4.568 25.537 206 ALA 20.289 -4.862 23.876 207 THR 18.625 -5.397 20.467 208 THR 16.461 -2.350 21.141 209 ALA 19.452 -0.089 21.797 210 TYR 21.396 -1.529 18.882 211 GLY 18.379 -1.342 16.585 212 ILE 17.496 2.254 17.522 213 MET 21.060 3.111 16.626 214 LYS 20.673 1.418 13.312 215 GLY 17.580 3.559 12.716 216 VAL 14.686 1.229 13.637 217 ARG 11.628 3.408 14.519 218 ALA 9.724 0.974 16.809 219 VAL 10.413 -2.114 18.932 220 ARG 7.849 -4.803 19.756 221 VAL 8.365 -6.088 23.338 222 HIS 7.167 -8.123 26.363 223 ASN 8.979 -6.058 28.959 224 VAL 7.664 -2.550 28.342 225 GLU 9.307 -0.655 31.205 226 LEU 12.825 -1.936 30.520 227 ASN 12.672 -1.142 26.814 228 ALA 10.659 2.076 27.207 229 LYS 13.389 3.407 29.526 230 LEU 16.398 1.970 27.745 231 ALA 15.064 3.463 24.474 232 LYS 14.441 6.843 26.082 233 GLY 18.099 6.935 27.062 234 ILE 19.373 5.893 23.614 235 ASP 17.086 8.390 21.806 236 PHE 18.509 11.022 24.151 237 LEU 22.087 10.065 23.351 238 LYS 21.659 10.220 19.550 239 GLU 19.833 13.569 19.714 240 ASN 22.480 14.973 22.029 241 GLU 25.129 13.701 19.603 242 ASN 23.421 15.366 16.612 243 ALA 22.967 18.584 18.542 244 ARG 26.580 18.875 19.655 245 HIS 27.722 18.065 16.092 246 ASN 25.088 20.311 14.470 247 PHE 24.065 17.277 12.522 248 SER 20.528 16.994 11.411 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S S S S S S S 10 S S/X X/H H H H H H H H 20 H H H H H H H H C S 30 S S S S S S SXS S/X S S/H 40 H H H H H H H H H 3 50 3/H H H H H H C C S S 60 S S S S S S S H H H 70 H H H H H H H H H/S S 80 S S/S S S S/T T T T T T 90 T T C H H H H H H H 100 H H H/S S S S S S S S 110 S S C C S S S S H H 120 H H H H H H H H H H 130 H H H H H H H H H C 140 T T T T/S S S S S S/S S 150 S S C C C H H H H H 160 H H H H H H H/H H H H 170 H H H C S S S S S S 180 S C C H H H H H H H 190 H H C C C T T T T H 200 H H H H H H H H H H 210 H H H H H/S S S S/S S S 220 S S H H H H H H H H 230 H H H H H H H H H H 240 H H H H H H/S S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 E E E E E E E 10 e h H H H H H H H 20 H H H H H H H h t e 30 E E E E E e h 40 H H H H H H H H H H 50 H H H H H h T t S S 60 E E E E E e h H H 70 H H H H H H H h T t 80 e E E E E T T T T t 90 S t T h H H H H H H 100 H h T t E E E E E e 110 t T T t S S h H 120 H H H H H H H H H H 130 H H H H H H h T T t 140 g G G e E E E E t 150 T T t S h H H H H 160 H H H H h h H H H H 170 H h T t S e E E 180 t T T h H H H H H H 190 H h t g G G h 200 H H H H H H H H H H 210 H H H h T t e E E E 220 E S h H H H H H H H 230 H H H H H H H H H H 240 H H H H H h t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 THR 0.0 0.0 94.0 2 LYS 68.6 39.6 85.7 3 THR 100.6 94.1 50.6 4 LYS 108.6 62.6 55.2 5 ILE 140.4 97.9 47.1 6 MET 155.8 97.8 39.9 7 GLY 34.8 100.0 46.2 8 ILE 140.4 97.9 64.7 9 LEU 136.7 92.5 35.7 10 ASN 48.8 40.4 76.4 11 VAL 105.1 88.5 46.5 12 THR 24.6 23.0 73.2 13 ASN 31.7 26.2 82.8 14 VAL 60.7 51.1 54.4 15 GLU 14.8 10.7 78.9 16 SER 23.3 27.9 77.1 17 ALA 64.3 88.5 46.7 18 VAL 79.1 66.6 49.2 19 THR 11.8 11.0 78.3 20 ARG 121.4 58.1 65.2 21 VAL 118.8 100.0 26.2 22 LYS 77.0 44.4 60.4 23 ALA 34.9 48.1 72.5 24 MET 159.4 100.0 46.1 25 MET 130.4 81.8 53.8 26 ASP 11.8 10.7 83.9 27 GLU 99.7 71.9 69.6 28 GLY 10.1 28.9 71.6 29 ALA 72.6 100.0 46.6 30 ASP 85.3 77.2 61.2 31 ILE 139.3 97.1 30.1 32 ILE 143.5 100.0 29.4 33 ASP 110.1 99.6 55.9 34 VAL 118.8 100.0 33.3 35 GLY 30.6 87.8 61.2 36 GLY 33.3 95.8 57.9 37 VAL 106.3 89.5 54.9 38 MET 74.6 46.8 76.6 39 ILE 112.0 78.0 66.5 40 THR 38.6 36.1 67.5 41 VAL 82.4 69.3 54.7 42 GLU 21.4 15.5 73.6 43 GLU 59.3 42.8 67.8 44 GLU 138.0 99.6 47.9 45 LEU 112.3 76.0 48.7 46 ASN 28.9 23.9 74.4 47 ARG 123.2 59.0 64.9 48 VAL 118.0 99.3 36.8 49 LEU 106.4 72.0 50.5 50 PRO 74.8 60.1 68.4 51 VAL 112.9 95.1 35.7 52 VAL 118.8 100.0 28.2 53 GLU 59.2 42.7 62.2 54 ALA 45.1 62.2 62.6 55 ILE 143.5 100.0 29.2 56 VAL 100.3 84.4 57.6 57 GLY 0.0 0.0 79.2 58 PHE 118.1 70.8 55.9 59 ASP 0.0 0.0 82.5 60 VAL 106.7 89.8 51.1 61 LYS 89.6 51.7 67.6 62 ILE 142.8 99.5 38.3 63 SER 83.6 100.0 37.8 64 VAL 118.3 99.6 36.0 65 ASP 102.4 92.7 65.7 66 THR 106.8 99.9 48.3 67 PHE 149.0 89.4 41.1 68 ARG 192.6 92.2 45.8 69 SER 79.6 95.2 50.1 70 GLU 70.0 50.5 66.9 71 VAL 118.8 100.0 44.4 72 ALA 72.6 100.0 33.0 73 GLU 101.2 73.0 61.2 74 ALA 50.2 69.1 52.1 75 CYS 99.2 100.0 31.7 76 LEU 147.8 100.0 39.8 77 LYS 60.2 34.7 76.3 78 LEU 97.1 65.7 58.7 79 GLY 3.0 8.5 79.0 80 VAL 118.8 100.0 38.8 81 ASP 58.9 53.3 64.9 82 ILE 138.4 96.5 41.3 83 ILE 143.5 100.0 32.7 84 ASN 116.4 96.3 54.1 85 ASP 110.0 99.6 50.3 86 GLN 108.4 73.0 58.3 87 TRP 132.3 64.5 57.0 88 ALA 69.9 96.3 48.4 89 GLY 34.7 99.6 58.9 90 LEU 80.0 54.1 76.0 91 TYR 96.1 53.1 57.4 92 ASP 97.0 87.8 71.6 93 HIS 24.8 16.5 82.6 94 ARG 96.4 46.2 80.5 95 MET 159.2 99.9 40.2 96 PHE 157.3 94.3 46.6 97 GLN 52.7 35.5 67.2 98 VAL 107.4 90.4 45.3 99 VAL 118.7 99.9 38.4 100 ALA 61.9 85.2 62.5 101 LYS 59.9 34.5 80.9 102 TYR 137.8 76.1 55.5 103 ASP 34.1 30.9 82.9 104 ALA 68.7 94.7 53.3 105 GLU 106.7 77.0 53.3 106 ILE 143.5 100.0 31.1 107 VAL 116.5 98.1 40.8 108 LEU 147.8 100.0 35.0 109 MET 151.8 95.2 49.7 110 HIS 147.8 98.4 54.5 111 ASN 109.1 90.2 44.1 112 GLY 20.0 57.4 54.7 113 ASN 48.5 40.1 77.0 114 GLY 20.0 57.4 72.9 115 ASN 0.0 0.0 88.5 116 ARG 201.3 96.4 62.1 117 ASP 0.0 0.0 85.7 118 GLU 71.2 51.4 57.7 119 PRO 38.3 30.8 76.1 120 VAL 115.1 96.9 40.4 121 VAL 117.6 99.0 49.5 122 GLU 63.0 45.5 69.2 123 GLU 131.2 94.7 61.0 124 MET 155.2 97.4 35.8 125 LEU 112.8 76.4 48.5 126 THR 29.0 27.2 80.0 127 SER 56.3 67.3 63.2 128 LEU 146.1 98.9 38.7 129 LEU 81.4 55.0 57.1 130 ALA 25.4 34.9 77.8 131 GLN 129.0 86.8 44.9 132 ALA 72.4 99.7 45.1 133 HIS 50.2 33.4 70.9 134 GLN 74.7 50.3 68.8 135 ALA 72.6 100.0 32.9 136 LYS 104.0 60.0 72.2 137 ILE 56.9 39.7 78.6 138 ALA 57.4 79.1 60.6 139 GLY 2.8 8.0 76.8 140 ILE 143.2 99.8 37.2 141 PRO 79.6 64.0 72.2 142 SER 29.7 35.5 69.0 143 ASN 22.1 18.3 70.1 144 LYS 126.0 72.7 62.9 145 ILE 143.5 100.0 38.8 146 TRP 177.9 86.8 43.4 147 LEU 147.8 100.0 32.9 148 ASP 108.2 97.9 38.6 149 PRO 124.4 99.9 32.9 150 GLY 34.5 99.1 59.7 151 ILE 143.5 100.0 33.9 152 GLY 20.1 57.8 61.1 153 PHE 109.6 65.7 74.5 154 ALA 50.5 69.6 66.9 155 LYS 172.5 99.5 56.6 156 THR 27.8 26.0 76.2 157 ARG 71.4 34.2 86.6 158 ASN 0.6 0.5 84.0 159 GLU 106.0 76.5 54.9 160 GLU 136.5 98.5 46.3 161 ALA 26.2 36.1 70.2 162 GLU 65.2 47.1 70.6 163 VAL 117.9 99.2 30.2 164 MET 148.1 92.9 31.5 165 ALA 24.8 34.1 81.7 166 ARG 146.7 70.2 72.7 167 LEU 146.0 98.8 32.7 168 ASP 46.5 42.1 65.6 169 GLU 86.6 62.5 63.9 170 LEU 146.4 99.0 30.6 171 VAL 88.8 74.7 60.5 172 ALA 17.4 23.9 79.0 173 THR 87.0 81.4 49.1 174 GLU 3.6 2.6 93.0 175 TYR 155.6 86.0 52.8 176 PRO 111.9 89.9 57.1 177 VAL 118.3 99.6 44.4 178 LEU 145.9 98.7 38.4 179 LEU 145.4 98.4 31.7 180 ALA 69.7 96.0 64.2 181 THR 105.2 98.4 31.3 182 SER 81.9 98.0 55.5 183 ARG 161.4 77.3 58.2 184 LYS 129.6 74.8 64.3 185 ARG 126.3 60.5 73.2 186 PHE 131.5 78.8 42.0 187 THR 106.9 100.0 47.1 188 LYS 120.9 69.7 72.6 189 GLU 85.9 62.0 64.8 190 MET 100.1 62.8 55.3 191 MET 109.4 68.6 61.2 192 GLY 8.8 25.2 75.9 193 TYR 56.3 31.1 77.9 194 ASP 18.8 17.0 77.8 195 THR 106.8 99.9 45.8 196 THR 29.1 27.2 70.0 197 PRO 51.8 41.6 71.0 198 VAL 22.1 18.6 84.6 199 GLU 72.3 52.1 68.6 200 ARG 179.8 86.1 57.6 201 ASP 100.5 91.0 62.4 202 GLU 32.7 23.6 73.9 203 VAL 101.9 85.8 43.8 204 THR 103.9 97.2 63.1 205 ALA 68.3 94.0 55.1 206 ALA 30.1 41.5 67.1 207 THR 102.5 95.9 40.1 208 THR 105.1 98.3 43.4 209 ALA 54.4 74.9 48.5 210 TYR 93.2 51.5 66.2 211 GLY 34.8 100.0 46.2 212 ILE 141.8 98.8 47.6 213 MET 76.9 48.3 62.9 214 LYS 99.6 57.5 66.8 215 GLY 17.5 50.4 71.4 216 VAL 118.8 100.0 38.8 217 ARG 76.5 36.6 75.3 218 ALA 71.8 98.9 35.0 219 VAL 116.2 97.8 37.3 220 ARG 176.2 84.4 52.1 221 VAL 116.6 98.1 49.1 222 HIS 107.5 71.6 64.9 223 ASN 77.1 63.8 68.4 224 VAL 118.8 100.0 48.3 225 GLU 63.9 46.1 71.5 226 LEU 93.3 63.1 58.5 227 ASN 120.0 99.3 43.5 228 ALA 64.6 89.0 53.4 229 LYS 54.9 31.6 75.7 230 LEU 78.5 53.1 61.5 231 ALA 71.0 97.8 47.2 232 LYS 19.0 11.0 84.9 233 GLY 4.8 13.9 70.8 234 ILE 121.1 84.4 37.6 235 ASP 85.9 77.7 57.8 236 PHE 33.0 19.8 74.5 237 LEU 48.1 32.5 70.7 238 LYS 105.6 60.9 63.8 239 GLU 33.7 24.3 80.7 240 ASN 61.2 50.6 62.9 241 GLU 42.4 30.6 77.0 242 ASN 73.5 60.8 69.7 243 ALA 36.0 49.6 78.9 244 ARG 63.2 30.2 83.2 245 HIS 40.2 26.8 75.3 246 ASN 0.0 0.0 90.5 247 PHE 34.6 20.7 83.1 248 SER 0.6 0.7 86.4