EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:44 REMARK 6 MODELLER OBJECTIVE FUNCTION: 127.9014 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1690.27771 REMARK 6 GA341 score: 0.88677 REMARK 6 Normalized DOPE score: -0.95499 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 205 -18.583 25.708 42.575 1.00 44.14 N ATOM 2 CA GLU 205 -17.427 26.505 42.113 1.00 44.14 C ATOM 3 CB GLU 205 -17.921 27.848 41.554 1.00 44.14 C ATOM 4 CG GLU 205 -16.848 28.652 40.824 1.00 44.14 C ATOM 5 CD GLU 205 -17.540 29.856 40.203 1.00 44.14 C ATOM 6 OE1 GLU 205 -18.057 29.724 39.062 1.00 44.14 O ATOM 7 OE2 GLU 205 -17.568 30.924 40.871 1.00 44.14 O ATOM 8 C GLU 205 -16.488 26.741 43.250 1.00 44.14 C ATOM 9 O GLU 205 -15.496 26.031 43.404 1.00 44.14 O ATOM 10 N LYS 206 -16.775 27.762 44.081 1.00 70.83 N ATOM 11 CA LYS 206 -15.931 28.031 45.208 1.00 70.83 C ATOM 12 CB LYS 206 -15.343 29.441 45.109 1.00 70.83 C ATOM 13 CG LYS 206 -14.568 29.567 43.796 1.00 70.83 C ATOM 14 CD LYS 206 -14.290 30.991 43.321 1.00 70.83 C ATOM 15 CE LYS 206 -13.548 31.020 41.982 1.00 70.83 C ATOM 16 NZ LYS 206 -13.516 32.396 41.441 1.00 70.83 N ATOM 17 C LYS 206 -16.803 27.912 46.416 1.00 70.83 C ATOM 18 O LYS 206 -17.450 28.856 46.862 1.00 70.83 O ATOM 19 N PRO 207 -16.836 26.709 46.910 1.00130.84 N ATOM 20 CA PRO 207 -17.660 26.336 48.029 1.00130.84 C ATOM 21 CD PRO 207 -16.449 25.565 46.104 1.00130.84 C ATOM 22 CB PRO 207 -17.769 24.808 47.975 1.00130.84 C ATOM 23 CG PRO 207 -16.632 24.363 47.038 1.00130.84 C ATOM 24 C PRO 207 -17.269 26.826 49.389 1.00130.84 C ATOM 25 O PRO 207 -18.148 26.902 50.245 1.00130.84 O ATOM 26 N PHE 208 -15.990 27.157 49.647 1.00 61.28 N ATOM 27 CA PHE 208 -15.667 27.454 51.016 1.00 61.28 C ATOM 28 CB PHE 208 -14.376 26.774 51.493 1.00 61.28 C ATOM 29 CG PHE 208 -14.614 25.313 51.341 1.00 61.28 C ATOM 30 CD1 PHE 208 -15.367 24.620 52.261 1.00 61.28 C ATOM 31 CD2 PHE 208 -14.081 24.640 50.267 1.00 61.28 C ATOM 32 CE1 PHE 208 -15.582 23.270 52.109 1.00 61.28 C ATOM 33 CE2 PHE 208 -14.292 23.291 50.112 1.00 61.28 C ATOM 34 CZ PHE 208 -15.047 22.605 51.032 1.00 61.28 C ATOM 35 C PHE 208 -15.487 28.925 51.188 1.00 61.28 C ATOM 36 O PHE 208 -14.690 29.547 50.489 1.00 61.28 O ATOM 37 N THR 209 -16.207 29.510 52.168 1.00 98.08 N ATOM 38 CA THR 209 -16.149 30.930 52.368 1.00 98.08 C ATOM 39 CB THR 209 -17.501 31.576 52.351 1.00 98.08 C ATOM 40 OG1 THR 209 -17.370 32.989 52.370 1.00 98.08 O ATOM 41 CG2 THR 209 -18.285 31.097 53.586 1.00 98.08 C ATOM 42 C THR 209 -15.547 31.229 53.707 1.00 98.08 C ATOM 43 O THR 209 -15.815 30.547 54.695 1.00 98.08 O ATOM 44 N CYS 210 -14.689 32.270 53.753 1.00 39.23 N ATOM 45 CA CYS 210 -14.050 32.687 54.972 1.00 39.23 C ATOM 46 CB CYS 210 -12.774 33.521 54.737 1.00 39.23 C ATOM 47 SG CYS 210 -11.958 34.046 56.277 1.00 39.23 S ATOM 48 C CYS 210 -15.015 33.543 55.731 1.00 39.23 C ATOM 49 O CYS 210 -15.669 34.419 55.168 1.00 39.23 O ATOM 50 N THR 211 -15.127 33.311 57.049 1.00 38.12 N ATOM 51 CA THR 211 -16.046 34.080 57.831 1.00 38.12 C ATOM 52 CB THR 211 -16.151 33.598 59.245 1.00 38.12 C ATOM 53 OG1 THR 211 -16.596 32.250 59.266 1.00 38.12 O ATOM 54 CG2 THR 211 -17.141 34.500 60.000 1.00 38.12 C ATOM 55 C THR 211 -15.612 35.513 57.884 1.00 38.12 C ATOM 56 O THR 211 -16.440 36.418 57.778 1.00 38.12 O ATOM 57 N GLN 212 -14.303 35.766 58.089 1.00 98.47 N ATOM 58 CA GLN 212 -13.883 37.130 58.259 1.00 98.47 C ATOM 59 CB GLN 212 -12.412 37.243 58.703 1.00 98.47 C ATOM 60 CG GLN 212 -11.922 38.684 58.886 1.00 98.47 C ATOM 61 CD GLN 212 -12.544 39.280 60.142 1.00 98.47 C ATOM 62 OE1 GLN 212 -13.226 38.595 60.903 1.00 98.47 O ATOM 63 NE2 GLN 212 -12.300 40.599 60.369 1.00 98.47 N ATOM 64 C GLN 212 -14.014 37.954 57.010 1.00 98.47 C ATOM 65 O GLN 212 -14.712 38.968 57.007 1.00 98.47 O ATOM 66 N CYS 213 -13.324 37.544 55.924 1.00112.52 N ATOM 67 CA CYS 213 -13.285 38.282 54.684 1.00112.52 C ATOM 68 CB CYS 213 -12.189 37.784 53.735 1.00112.52 C ATOM 69 SG CYS 213 -10.534 37.850 54.459 1.00112.52 S ATOM 70 C CYS 213 -14.540 38.136 53.888 1.00112.52 C ATOM 71 O CYS 213 -15.081 39.112 53.369 1.00112.52 O ATOM 72 N GLY 214 -15.034 36.888 53.775 1.00 31.56 N ATOM 73 CA GLY 214 -16.137 36.590 52.911 1.00 31.56 C ATOM 74 C GLY 214 -15.547 36.076 51.627 1.00 31.56 C ATOM 75 O GLY 214 -16.263 35.783 50.671 1.00 31.56 O ATOM 76 N LYS 215 -14.205 35.953 51.582 1.00 92.24 N ATOM 77 CA LYS 215 -13.509 35.495 50.410 1.00 92.24 C ATOM 78 CB LYS 215 -11.990 35.705 50.529 1.00 92.24 C ATOM 79 CG LYS 215 -11.227 35.435 49.237 1.00 92.24 C ATOM 80 CD LYS 215 -9.809 36.004 49.250 1.00 92.24 C ATOM 81 CE LYS 215 -8.932 35.486 48.111 1.00 92.24 C ATOM 82 NZ LYS 215 -8.418 34.145 48.459 1.00 92.24 N ATOM 83 C LYS 215 -13.801 34.035 50.224 1.00 92.24 C ATOM 84 O LYS 215 -13.911 33.284 51.191 1.00 92.24 O ATOM 85 N SER 216 -13.927 33.581 48.955 1.00 98.09 N ATOM 86 CA SER 216 -14.324 32.222 48.731 1.00 98.09 C ATOM 87 CB SER 216 -15.558 32.120 47.831 1.00 98.09 C ATOM 88 OG SER 216 -15.973 30.770 47.745 1.00 98.09 O ATOM 89 C SER 216 -13.209 31.470 48.068 1.00 98.09 C ATOM 90 O SER 216 -12.423 32.040 47.315 1.00 98.09 O ATOM 91 N PHE 217 -13.124 30.147 48.338 1.00152.24 N ATOM 92 CA PHE 217 -12.038 29.352 47.830 1.00152.24 C ATOM 93 CB PHE 217 -11.107 28.851 48.945 1.00152.24 C ATOM 94 CG PHE 217 -10.380 29.997 49.548 1.00152.24 C ATOM 95 CD1 PHE 217 -10.992 30.808 50.475 1.00152.24 C ATOM 96 CD2 PHE 217 -9.085 30.259 49.168 1.00152.24 C ATOM 97 CE1 PHE 217 -10.310 31.863 51.028 1.00152.24 C ATOM 98 CE2 PHE 217 -8.398 31.312 49.720 1.00152.24 C ATOM 99 CZ PHE 217 -9.012 32.115 50.653 1.00152.24 C ATOM 100 C PHE 217 -12.575 28.103 47.215 1.00152.24 C ATOM 101 O PHE 217 -13.588 27.560 47.653 1.00152.24 O ATOM 102 N ASN 218 -11.912 27.633 46.141 1.00 66.99 N ATOM 103 CA ASN 218 -12.313 26.390 45.557 1.00 66.99 C ATOM 104 CB ASN 218 -11.904 26.192 44.074 1.00 66.99 C ATOM 105 CG ASN 218 -10.415 26.307 43.780 1.00 66.99 C ATOM 106 OD1 ASN 218 -9.667 27.031 44.437 1.00 66.99 O ATOM 107 ND2 ASN 218 -9.979 25.607 42.697 1.00 66.99 N ATOM 108 C ASN 218 -11.851 25.264 46.429 1.00 66.99 C ATOM 109 O ASN 218 -12.502 24.227 46.502 1.00 66.99 O ATOM 110 N CYS 219 -10.707 25.459 47.128 1.00 41.71 N ATOM 111 CA CYS 219 -10.142 24.392 47.909 1.00 41.71 C ATOM 112 CB CYS 219 -8.629 24.222 47.685 1.00 41.71 C ATOM 113 SG CYS 219 -8.192 23.861 45.961 1.00 41.71 S ATOM 114 C CYS 219 -10.293 24.677 49.374 1.00 41.71 C ATOM 115 O CYS 219 -10.093 25.799 49.832 1.00 41.71 O ATOM 116 N SER 220 -10.642 23.631 50.151 1.00 68.38 N ATOM 117 CA SER 220 -10.829 23.741 51.569 1.00 68.38 C ATOM 118 CB SER 220 -11.374 22.447 52.198 1.00 68.38 C ATOM 119 OG SER 220 -11.561 22.621 53.592 1.00 68.38 O ATOM 120 C SER 220 -9.509 24.010 52.215 1.00 68.38 C ATOM 121 O SER 220 -9.409 24.795 53.159 1.00 68.38 O ATOM 122 N SER 221 -8.449 23.357 51.706 1.00 67.16 N ATOM 123 CA SER 221 -7.153 23.491 52.299 1.00 67.16 C ATOM 124 CB SER 221 -6.094 22.606 51.625 1.00 67.16 C ATOM 125 OG SER 221 -6.409 21.237 51.831 1.00 67.16 O ATOM 126 C SER 221 -6.708 24.912 52.185 1.00 67.16 C ATOM 127 O SER 221 -6.125 25.454 53.123 1.00 67.16 O ATOM 128 N HIS 222 -6.965 25.557 51.031 1.00 84.08 N ATOM 129 CA HIS 222 -6.555 26.923 50.872 1.00 84.08 C ATOM 130 ND1 HIS 222 -4.484 28.480 48.723 1.00 84.08 N ATOM 131 CG HIS 222 -5.382 27.437 48.708 1.00 84.08 C ATOM 132 CB HIS 222 -6.685 27.484 49.450 1.00 84.08 C ATOM 133 NE2 HIS 222 -3.578 26.881 47.475 1.00 84.08 N ATOM 134 CD2 HIS 222 -4.816 26.467 47.941 1.00 84.08 C ATOM 135 CE1 HIS 222 -3.424 28.095 47.970 1.00 84.08 C ATOM 136 C HIS 222 -7.301 27.817 51.803 1.00 84.08 C ATOM 137 O HIS 222 -6.736 28.788 52.305 1.00 84.08 O ATOM 138 N LEU 223 -8.594 27.542 52.050 1.00105.62 N ATOM 139 CA LEU 223 -9.325 28.380 52.955 1.00105.62 C ATOM 140 CB LEU 223 -10.806 27.961 53.087 1.00105.62 C ATOM 141 CG LEU 223 -11.637 28.790 54.090 1.00105.62 C ATOM 142 CD1 LEU 223 -11.337 28.411 55.550 1.00105.62 C ATOM 143 CD2 LEU 223 -11.462 30.293 53.837 1.00105.62 C ATOM 144 C LEU 223 -8.664 28.274 54.293 1.00105.62 C ATOM 145 O LEU 223 -8.492 29.268 54.996 1.00105.62 O ATOM 146 N ASN 224 -8.237 27.050 54.652 1.00 80.03 N ATOM 147 CA ASN 224 -7.638 26.771 55.926 1.00 80.03 C ATOM 148 CB ASN 224 -7.190 25.294 56.000 1.00 80.03 C ATOM 149 CG ASN 224 -6.845 24.899 57.429 1.00 80.03 C ATOM 150 OD1 ASN 224 -5.675 24.804 57.798 1.00 80.03 O ATOM 151 ND2 ASN 224 -7.895 24.653 58.258 1.00 80.03 N ATOM 152 C ASN 224 -6.425 27.633 56.098 1.00 80.03 C ATOM 153 O ASN 224 -6.258 28.283 57.130 1.00 80.03 O ATOM 154 N ARG 225 -5.547 27.673 55.078 1.00 83.74 N ATOM 155 CA ARG 225 -4.349 28.457 55.184 1.00 83.74 C ATOM 156 CB ARG 225 -3.374 28.256 54.011 1.00 83.74 C ATOM 157 CG ARG 225 -2.675 26.892 54.008 1.00 83.74 C ATOM 158 CD ARG 225 -1.511 26.793 55.000 1.00 83.74 C ATOM 159 NE ARG 225 -0.825 25.487 54.773 1.00 83.74 N ATOM 160 CZ ARG 225 0.226 25.115 55.562 1.00 83.74 C ATOM 161 NH1 ARG 225 0.617 25.910 56.601 1.00 83.74 N ATOM 162 NH2 ARG 225 0.890 23.948 55.313 1.00 83.74 N ATOM 163 C ARG 225 -4.712 29.908 55.243 1.00 83.74 C ATOM 164 O ARG 225 -4.109 30.673 55.993 1.00 83.74 O ATOM 165 N HIS 226 -5.731 30.319 54.465 1.00 52.34 N ATOM 166 CA HIS 226 -6.111 31.701 54.411 1.00 52.34 C ATOM 167 ND1 HIS 226 -7.179 34.472 53.001 1.00 52.34 N ATOM 168 CG HIS 226 -7.782 33.390 53.602 1.00 52.34 C ATOM 169 CB HIS 226 -7.306 31.973 53.489 1.00 52.34 C ATOM 170 NE2 HIS 226 -8.911 35.267 54.145 1.00 52.34 N ATOM 171 CD2 HIS 226 -8.840 33.896 54.297 1.00 52.34 C ATOM 172 CE1 HIS 226 -7.894 35.567 53.358 1.00 52.34 C ATOM 173 C HIS 226 -6.516 32.158 55.768 1.00 52.34 C ATOM 174 O HIS 226 -6.180 33.270 56.174 1.00 52.34 O ATOM 175 N MET 227 -7.237 31.306 56.514 1.00 71.88 N ATOM 176 CA MET 227 -7.694 31.726 57.804 1.00 71.88 C ATOM 177 CB MET 227 -8.504 30.649 58.543 1.00 71.88 C ATOM 178 CG MET 227 -9.896 30.443 57.940 1.00 71.88 C ATOM 179 SD MET 227 -10.918 29.182 58.758 1.00 71.88 S ATOM 180 CE MET 227 -12.473 29.753 58.013 1.00 71.88 C ATOM 181 C MET 227 -6.491 32.069 58.617 1.00 71.88 C ATOM 182 O MET 227 -6.504 33.049 59.359 1.00 71.88 O ATOM 183 N ARG 228 -5.405 31.285 58.494 1.00174.96 N ATOM 184 CA ARG 228 -4.241 31.650 59.243 1.00174.96 C ATOM 185 CB ARG 228 -3.183 30.535 59.314 1.00174.96 C ATOM 186 CG ARG 228 -3.609 29.297 60.106 1.00174.96 C ATOM 187 CD ARG 228 -2.539 28.202 60.126 1.00174.96 C ATOM 188 NE ARG 228 -1.319 28.776 60.760 1.00174.96 N ATOM 189 CZ ARG 228 -0.111 28.161 60.602 1.00174.96 C ATOM 190 NH1 ARG 228 -0.017 27.024 59.852 1.00174.96 N ATOM 191 NH2 ARG 228 1.004 28.684 61.191 1.00174.96 N ATOM 192 C ARG 228 -3.605 32.780 58.501 1.00174.96 C ATOM 193 O ARG 228 -2.607 32.601 57.804 1.00174.96 O ATOM 194 N ILE 229 -4.162 33.994 58.656 1.00 87.13 N ATOM 195 CA ILE 229 -3.603 35.116 57.967 1.00 87.13 C ATOM 196 CB ILE 229 -4.522 36.309 57.907 1.00 87.13 C ATOM 197 CG1 ILE 229 -4.860 36.846 59.308 1.00 87.13 C ATOM 198 CG2 ILE 229 -5.756 35.905 57.086 1.00 87.13 C ATOM 199 CD1 ILE 229 -5.528 38.221 59.282 1.00 87.13 C ATOM 200 C ILE 229 -2.330 35.513 58.699 1.00 87.13 C ATOM 201 O ILE 229 -2.408 35.793 59.925 1.00 87.13 O ATOM 202 OXT ILE 229 -1.257 35.534 58.038 1.00 87.13 O