EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.5995 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1299.62585 REMARK 6 GA341 score: 0.70214 REMARK 6 Normalized DOPE score: -0.58810 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 454 -24.024 33.531 53.456 1.00 66.10 N ATOM 2 CA GLU 454 -24.767 32.493 54.198 1.00 66.10 C ATOM 3 CB GLU 454 -25.454 31.516 53.223 1.00 66.10 C ATOM 4 CG GLU 454 -26.544 32.144 52.345 1.00 66.10 C ATOM 5 CD GLU 454 -27.041 31.077 51.373 1.00 66.10 C ATOM 6 OE1 GLU 454 -26.184 30.488 50.659 1.00 66.10 O ATOM 7 OE2 GLU 454 -28.277 30.840 51.335 1.00 66.10 O ATOM 8 C GLU 454 -23.822 31.710 55.044 1.00 66.10 C ATOM 9 O GLU 454 -22.662 32.079 55.223 1.00 66.10 O ATOM 10 N LYS 455 -24.319 30.598 55.606 1.00 93.88 N ATOM 11 CA LYS 455 -23.513 29.743 56.423 1.00 93.88 C ATOM 12 CB LYS 455 -24.226 29.400 57.736 1.00 93.88 C ATOM 13 CG LYS 455 -24.587 30.641 58.549 1.00 93.88 C ATOM 14 CD LYS 455 -25.739 30.398 59.524 1.00 93.88 C ATOM 15 CE LYS 455 -27.084 30.227 58.808 1.00 93.88 C ATOM 16 NZ LYS 455 -28.144 29.864 59.772 1.00 93.88 N ATOM 17 C LYS 455 -23.418 28.474 55.645 1.00 93.88 C ATOM 18 O LYS 455 -24.355 27.681 55.604 1.00 93.88 O ATOM 19 N PRO 456 -22.306 28.273 55.009 1.00119.66 N ATOM 20 CA PRO 456 -22.169 27.108 54.184 1.00119.66 C ATOM 21 CD PRO 456 -21.558 29.392 54.466 1.00119.66 C ATOM 22 CB PRO 456 -20.990 27.382 53.241 1.00119.66 C ATOM 23 CG PRO 456 -20.393 28.714 53.732 1.00119.66 C ATOM 24 C PRO 456 -22.096 25.794 54.893 1.00119.66 C ATOM 25 O PRO 456 -22.400 24.783 54.263 1.00119.66 O ATOM 26 N PHE 457 -21.705 25.756 56.180 1.00 58.01 N ATOM 27 CA PHE 457 -21.567 24.458 56.766 1.00 58.01 C ATOM 28 CB PHE 457 -20.247 24.290 57.529 1.00 58.01 C ATOM 29 CG PHE 457 -19.199 24.462 56.482 1.00 58.01 C ATOM 30 CD1 PHE 457 -18.949 23.452 55.579 1.00 58.01 C ATOM 31 CD2 PHE 457 -18.469 25.625 56.395 1.00 58.01 C ATOM 32 CE1 PHE 457 -17.984 23.596 54.612 1.00 58.01 C ATOM 33 CE2 PHE 457 -17.502 25.777 55.428 1.00 58.01 C ATOM 34 CZ PHE 457 -17.261 24.761 54.537 1.00 58.01 C ATOM 35 C PHE 457 -22.704 24.233 57.705 1.00 58.01 C ATOM 36 O PHE 457 -22.896 24.982 58.660 1.00 58.01 O ATOM 37 N THR 458 -23.496 23.174 57.454 1.00 99.11 N ATOM 38 CA THR 458 -24.619 22.951 58.310 1.00 99.11 C ATOM 39 CB THR 458 -25.932 23.003 57.588 1.00 99.11 C ATOM 40 OG1 THR 458 -26.998 22.995 58.525 1.00 99.11 O ATOM 41 CG2 THR 458 -26.036 21.795 56.642 1.00 99.11 C ATOM 42 C THR 458 -24.483 21.606 58.940 1.00 99.11 C ATOM 43 O THR 458 -24.028 20.649 58.314 1.00 99.11 O ATOM 44 N CYS 459 -24.856 21.528 60.232 1.00 41.05 N ATOM 45 CA CYS 459 -24.784 20.294 60.958 1.00 41.05 C ATOM 46 CB CYS 459 -24.907 20.489 62.481 1.00 41.05 C ATOM 47 SG CYS 459 -24.817 18.928 63.409 1.00 41.05 S ATOM 48 C CYS 459 -25.924 19.438 60.502 1.00 41.05 C ATOM 49 O CYS 459 -27.073 19.875 60.443 1.00 41.05 O ATOM 50 N THR 460 -25.631 18.171 60.163 1.00 39.29 N ATOM 51 CA THR 460 -26.672 17.318 59.675 1.00 39.29 C ATOM 52 CB THR 460 -26.160 15.994 59.192 1.00 39.29 C ATOM 53 OG1 THR 460 -25.216 16.189 58.149 1.00 39.29 O ATOM 54 CG2 THR 460 -27.348 15.163 58.680 1.00 39.29 C ATOM 55 C THR 460 -27.668 17.055 60.759 1.00 39.29 C ATOM 56 O THR 460 -28.874 17.085 60.516 1.00 39.29 O ATOM 57 N GLN 461 -27.180 16.750 61.980 1.00141.13 N ATOM 58 CA GLN 461 -28.082 16.394 63.037 1.00141.13 C ATOM 59 CB GLN 461 -27.338 15.797 64.245 1.00141.13 C ATOM 60 CG GLN 461 -26.482 14.577 63.894 1.00141.13 C ATOM 61 CD GLN 461 -27.403 13.442 63.461 1.00141.13 C ATOM 62 OE1 GLN 461 -28.616 13.493 63.661 1.00141.13 O ATOM 63 NE2 GLN 461 -26.806 12.383 62.851 1.00141.13 N ATOM 64 C GLN 461 -28.879 17.567 63.542 1.00141.13 C ATOM 65 O GLN 461 -30.109 17.522 63.579 1.00141.13 O ATOM 66 N CYS 462 -28.181 18.644 63.963 1.00 92.76 N ATOM 67 CA CYS 462 -28.786 19.808 64.557 1.00 92.76 C ATOM 68 CB CYS 462 -27.744 20.693 65.262 1.00 92.76 C ATOM 69 SG CYS 462 -28.471 22.153 66.055 1.00 92.76 S ATOM 70 C CYS 462 -29.494 20.664 63.544 1.00 92.76 C ATOM 71 O CYS 462 -30.616 21.116 63.775 1.00 92.76 O ATOM 72 N GLY 463 -28.854 20.904 62.382 1.00 26.54 N ATOM 73 CA GLY 463 -29.429 21.766 61.389 1.00 26.54 C ATOM 74 C GLY 463 -28.878 23.148 61.578 1.00 26.54 C ATOM 75 O GLY 463 -29.223 24.058 60.827 1.00 26.54 O ATOM 76 N LYS 464 -28.010 23.347 62.594 1.00 69.95 N ATOM 77 CA LYS 464 -27.433 24.642 62.833 1.00 69.95 C ATOM 78 CB LYS 464 -26.814 24.780 64.238 1.00 69.95 C ATOM 79 CG LYS 464 -26.433 26.217 64.597 1.00 69.95 C ATOM 80 CD LYS 464 -26.181 26.457 66.090 1.00 69.95 C ATOM 81 CE LYS 464 -25.805 27.904 66.415 1.00 69.95 C ATOM 82 NZ LYS 464 -26.852 28.815 65.901 1.00 69.95 N ATOM 83 C LYS 464 -26.365 24.881 61.806 1.00 69.95 C ATOM 84 O LYS 464 -25.611 23.973 61.465 1.00 69.95 O ATOM 85 N SER 465 -26.274 26.134 61.297 1.00 48.06 N ATOM 86 CA SER 465 -25.342 26.436 60.243 1.00 48.06 C ATOM 87 CB SER 465 -25.985 27.187 59.069 1.00 48.06 C ATOM 88 OG SER 465 -27.015 26.407 58.483 1.00 48.06 O ATOM 89 C SER 465 -24.261 27.322 60.774 1.00 48.06 C ATOM 90 O SER 465 -24.490 28.118 61.681 1.00 48.06 O ATOM 91 N PHE 466 -23.038 27.198 60.205 1.00 64.94 N ATOM 92 CA PHE 466 -21.917 27.967 60.671 1.00 64.94 C ATOM 93 CB PHE 466 -20.881 27.146 61.455 1.00 64.94 C ATOM 94 CG PHE 466 -21.485 26.801 62.769 1.00 64.94 C ATOM 95 CD1 PHE 466 -21.342 27.653 63.840 1.00 64.94 C ATOM 96 CD2 PHE 466 -22.196 25.635 62.925 1.00 64.94 C ATOM 97 CE1 PHE 466 -21.894 27.346 65.059 1.00 64.94 C ATOM 98 CE2 PHE 466 -22.752 25.321 64.141 1.00 64.94 C ATOM 99 CZ PHE 466 -22.602 26.178 65.204 1.00 64.94 C ATOM 100 C PHE 466 -21.181 28.565 59.517 1.00 64.94 C ATOM 101 O PHE 466 -21.196 28.060 58.396 1.00 64.94 O ATOM 102 N ASN 467 -20.525 29.705 59.800 1.00109.38 N ATOM 103 CA ASN 467 -19.735 30.441 58.865 1.00109.38 C ATOM 104 CB ASN 467 -19.263 31.778 59.465 1.00109.38 C ATOM 105 CG ASN 467 -18.631 32.626 58.371 1.00109.38 C ATOM 106 OD1 ASN 467 -17.634 33.307 58.602 1.00109.38 O ATOM 107 ND2 ASN 467 -19.234 32.600 57.152 1.00109.38 N ATOM 108 C ASN 467 -18.522 29.633 58.518 1.00109.38 C ATOM 109 O ASN 467 -18.086 29.627 57.367 1.00109.38 O ATOM 110 N GLN 468 -17.933 28.920 59.503 1.00 90.67 N ATOM 111 CA GLN 468 -16.717 28.219 59.198 1.00 90.67 C ATOM 112 CB GLN 468 -15.480 28.898 59.803 1.00 90.67 C ATOM 113 CG GLN 468 -14.159 28.382 59.241 1.00 90.67 C ATOM 114 CD GLN 468 -13.066 29.303 59.762 1.00 90.67 C ATOM 115 OE1 GLN 468 -12.219 29.777 59.006 1.00 90.67 O ATOM 116 NE2 GLN 468 -13.085 29.565 61.097 1.00 90.67 N ATOM 117 C GLN 468 -16.779 26.811 59.715 1.00 90.67 C ATOM 118 O GLN 468 -17.527 26.497 60.638 1.00 90.67 O ATOM 119 N LEU 469 -15.962 25.927 59.102 1.00 91.44 N ATOM 120 CA LEU 469 -15.878 24.528 59.421 1.00 91.44 C ATOM 121 CB LEU 469 -14.897 23.751 58.529 1.00 91.44 C ATOM 122 CG LEU 469 -15.460 23.374 57.155 1.00 91.44 C ATOM 123 CD1 LEU 469 -14.435 22.605 56.311 1.00 91.44 C ATOM 124 CD2 LEU 469 -16.759 22.577 57.333 1.00 91.44 C ATOM 125 C LEU 469 -15.387 24.328 60.815 1.00 91.44 C ATOM 126 O LEU 469 -15.895 23.460 61.525 1.00 91.44 O ATOM 127 N SER 470 -14.398 25.134 61.248 1.00 25.62 N ATOM 128 CA SER 470 -13.800 24.921 62.534 1.00 25.62 C ATOM 129 CB SER 470 -12.761 26.003 62.885 1.00 25.62 C ATOM 130 OG SER 470 -13.387 27.277 62.938 1.00 25.62 O ATOM 131 C SER 470 -14.873 24.964 63.573 1.00 25.62 C ATOM 132 O SER 470 -14.920 24.116 64.464 1.00 25.62 O ATOM 133 N TYR 471 -15.781 25.945 63.463 1.00 39.27 N ATOM 134 CA TYR 471 -16.826 26.068 64.430 1.00 39.27 C ATOM 135 CB TYR 471 -17.717 27.294 64.180 1.00 39.27 C ATOM 136 CG TYR 471 -16.922 28.530 64.445 1.00 39.27 C ATOM 137 CD1 TYR 471 -16.143 29.090 63.460 1.00 39.27 C ATOM 138 CD2 TYR 471 -16.948 29.128 65.683 1.00 39.27 C ATOM 139 CE1 TYR 471 -15.413 30.228 63.702 1.00 39.27 C ATOM 140 CE2 TYR 471 -16.221 30.268 65.936 1.00 39.27 C ATOM 141 CZ TYR 471 -15.453 30.823 64.941 1.00 39.27 C ATOM 142 OH TYR 471 -14.703 31.992 65.186 1.00 39.27 O ATOM 143 C TYR 471 -17.700 24.856 64.360 1.00 39.27 C ATOM 144 O TYR 471 -18.082 24.299 65.385 1.00 39.27 O ATOM 145 N LEU 472 -18.049 24.406 63.142 1.00 57.58 N ATOM 146 CA LEU 472 -18.970 23.308 63.043 1.00 57.58 C ATOM 147 CB LEU 472 -19.418 23.007 61.606 1.00 57.58 C ATOM 148 CG LEU 472 -20.457 21.870 61.571 1.00 57.58 C ATOM 149 CD1 LEU 472 -21.724 22.268 62.350 1.00 57.58 C ATOM 150 CD2 LEU 472 -20.764 21.419 60.138 1.00 57.58 C ATOM 151 C LEU 472 -18.387 22.045 63.604 1.00 57.58 C ATOM 152 O LEU 472 -19.049 21.344 64.367 1.00 57.58 O ATOM 153 N ASN 473 -17.125 21.721 63.261 1.00 34.67 N ATOM 154 CA ASN 473 -16.577 20.473 63.712 1.00 34.67 C ATOM 155 CB ASN 473 -15.153 20.209 63.202 1.00 34.67 C ATOM 156 CG ASN 473 -15.264 19.787 61.745 1.00 34.67 C ATOM 157 OD1 ASN 473 -16.179 19.056 61.371 1.00 34.67 O ATOM 158 ND2 ASN 473 -14.320 20.266 60.894 1.00 34.67 N ATOM 159 C ASN 473 -16.506 20.454 65.197 1.00 34.67 C ATOM 160 O ASN 473 -16.942 19.500 65.840 1.00 34.67 O ATOM 161 N LYS 474 -15.975 21.531 65.797 1.00 72.32 N ATOM 162 CA LYS 474 -15.822 21.503 67.216 1.00 72.32 C ATOM 163 CB LYS 474 -15.028 22.697 67.769 1.00 72.32 C ATOM 164 CG LYS 474 -13.572 22.742 67.289 1.00 72.32 C ATOM 165 CD LYS 474 -12.716 21.547 67.730 1.00 72.32 C ATOM 166 CE LYS 474 -11.259 21.636 67.260 1.00 72.32 C ATOM 167 NZ LYS 474 -10.423 20.649 67.987 1.00 72.32 N ATOM 168 C LYS 474 -17.207 21.508 67.838 1.00 72.32 C ATOM 169 O LYS 474 -17.294 21.422 69.093 1.00 72.32 O ATOM 170 OXT LYS 474 -18.203 21.585 67.067 1.00 72.32 O