EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:21 REMARK 6 MODELLER OBJECTIVE FUNCTION: 98.3363 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1283.67065 REMARK 6 GA341 score: 0.94551 REMARK 6 Normalized DOPE score: -1.05916 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 342 -5.314 28.689 58.228 1.00 98.44 N ATOM 2 CA GLU 342 -6.337 29.524 57.557 1.00 98.44 C ATOM 3 CB GLU 342 -7.623 28.717 57.314 1.00 98.44 C ATOM 4 CG GLU 342 -7.459 27.566 56.323 1.00 98.44 C ATOM 5 CD GLU 342 -7.345 28.168 54.932 1.00 98.44 C ATOM 6 OE1 GLU 342 -8.368 28.714 54.439 1.00 98.44 O ATOM 7 OE2 GLU 342 -6.232 28.097 54.347 1.00 98.44 O ATOM 8 C GLU 342 -6.711 30.688 58.409 1.00 98.44 C ATOM 9 O GLU 342 -6.339 30.768 59.579 1.00 98.44 O ATOM 10 N LYS 343 -7.451 31.643 57.819 1.00 90.24 N ATOM 11 CA LYS 343 -7.904 32.764 58.586 1.00 90.24 C ATOM 12 CB LYS 343 -7.594 34.117 57.920 1.00 90.24 C ATOM 13 CG LYS 343 -6.098 34.436 57.869 1.00 90.24 C ATOM 14 CD LYS 343 -5.294 33.500 56.963 1.00 90.24 C ATOM 15 CE LYS 343 -3.801 33.826 56.933 1.00 90.24 C ATOM 16 NZ LYS 343 -3.086 32.859 56.070 1.00 90.24 N ATOM 17 C LYS 343 -9.390 32.625 58.693 1.00 90.24 C ATOM 18 O LYS 343 -10.156 33.051 57.829 1.00 90.24 O ATOM 19 N PRO 344 -9.783 32.008 59.765 1.00122.08 N ATOM 20 CA PRO 344 -11.149 31.693 60.070 1.00122.08 C ATOM 21 CD PRO 344 -8.872 31.685 60.850 1.00122.08 C ATOM 22 CB PRO 344 -11.084 30.846 61.340 1.00122.08 C ATOM 23 CG PRO 344 -9.787 31.312 62.025 1.00122.08 C ATOM 24 C PRO 344 -12.047 32.878 60.257 1.00122.08 C ATOM 25 O PRO 344 -13.243 32.744 60.002 1.00122.08 O ATOM 26 N PHE 345 -11.533 34.037 60.708 1.00 57.52 N ATOM 27 CA PHE 345 -12.467 35.086 61.001 1.00 57.52 C ATOM 28 CB PHE 345 -12.222 35.740 62.371 1.00 57.52 C ATOM 29 CG PHE 345 -12.446 34.646 63.360 1.00 57.52 C ATOM 30 CD1 PHE 345 -13.720 34.300 63.751 1.00 57.52 C ATOM 31 CD2 PHE 345 -11.379 33.958 63.890 1.00 57.52 C ATOM 32 CE1 PHE 345 -13.923 33.284 64.655 1.00 57.52 C ATOM 33 CE2 PHE 345 -11.575 32.941 64.794 1.00 57.52 C ATOM 34 CZ PHE 345 -12.850 32.605 65.181 1.00 57.52 C ATOM 35 C PHE 345 -12.412 36.130 59.936 1.00 57.52 C ATOM 36 O PHE 345 -11.352 36.666 59.619 1.00 57.52 O ATOM 37 N THR 346 -13.585 36.458 59.356 1.00105.29 N ATOM 38 CA THR 346 -13.599 37.423 58.299 1.00105.29 C ATOM 39 CB THR 346 -14.140 36.884 57.008 1.00105.29 C ATOM 40 OG1 THR 346 -15.490 36.480 57.174 1.00105.29 O ATOM 41 CG2 THR 346 -13.272 35.688 56.575 1.00105.29 C ATOM 42 C THR 346 -14.440 38.593 58.704 1.00105.29 C ATOM 43 O THR 346 -15.448 38.451 59.396 1.00105.29 O ATOM 44 N CYS 347 -14.004 39.799 58.285 1.00 42.81 N ATOM 45 CA CYS 347 -14.698 41.017 58.591 1.00 42.81 C ATOM 46 CB CYS 347 -13.830 42.278 58.398 1.00 42.81 C ATOM 47 SG CYS 347 -14.706 43.822 58.793 1.00 42.81 S ATOM 48 C CYS 347 -15.877 41.120 57.677 1.00 42.81 C ATOM 49 O CYS 347 -15.786 40.878 56.474 1.00 42.81 O ATOM 50 N THR 348 -17.037 41.502 58.237 1.00110.43 N ATOM 51 CA THR 348 -18.230 41.587 57.451 1.00110.43 C ATOM 52 CB THR 348 -19.438 41.919 58.279 1.00110.43 C ATOM 53 OG1 THR 348 -19.298 43.208 58.856 1.00110.43 O ATOM 54 CG2 THR 348 -19.575 40.859 59.388 1.00110.43 C ATOM 55 C THR 348 -18.093 42.661 56.416 1.00110.43 C ATOM 56 O THR 348 -18.455 42.460 55.257 1.00110.43 O ATOM 57 N GLN 349 -17.597 43.850 56.809 1.00 67.67 N ATOM 58 CA GLN 349 -17.574 44.921 55.852 1.00 67.67 C ATOM 59 CB GLN 349 -17.359 46.298 56.501 1.00 67.67 C ATOM 60 CG GLN 349 -17.460 47.463 55.511 1.00 67.67 C ATOM 61 CD GLN 349 -17.423 48.752 56.316 1.00 67.67 C ATOM 62 OE1 GLN 349 -17.942 48.820 57.428 1.00 67.67 O ATOM 63 NE2 GLN 349 -16.791 49.809 55.739 1.00 67.67 N ATOM 64 C GLN 349 -16.536 44.758 54.775 1.00 67.67 C ATOM 65 O GLN 349 -16.863 44.828 53.590 1.00 67.67 O ATOM 66 N CYS 350 -15.257 44.563 55.170 1.00106.64 N ATOM 67 CA CYS 350 -14.138 44.473 54.260 1.00106.64 C ATOM 68 CB CYS 350 -12.779 44.484 54.976 1.00106.64 C ATOM 69 SG CYS 350 -12.483 45.968 55.967 1.00106.64 S ATOM 70 C CYS 350 -14.129 43.176 53.522 1.00106.64 C ATOM 71 O CYS 350 -13.931 43.131 52.308 1.00106.64 O ATOM 72 N GLY 351 -14.347 42.074 54.260 1.00 28.69 N ATOM 73 CA GLY 351 -14.238 40.767 53.688 1.00 28.69 C ATOM 74 C GLY 351 -12.849 40.265 53.964 1.00 28.69 C ATOM 75 O GLY 351 -12.484 39.167 53.546 1.00 28.69 O ATOM 76 N LYS 352 -12.030 41.060 54.683 1.00 90.16 N ATOM 77 CA LYS 352 -10.686 40.650 54.982 1.00 90.16 C ATOM 78 CB LYS 352 -9.795 41.807 55.460 1.00 90.16 C ATOM 79 CG LYS 352 -8.352 41.394 55.745 1.00 90.16 C ATOM 80 CD LYS 352 -7.380 42.574 55.783 1.00 90.16 C ATOM 81 CE LYS 352 -7.009 43.075 54.387 1.00 90.16 C ATOM 82 NZ LYS 352 -6.034 44.184 54.484 1.00 90.16 N ATOM 83 C LYS 352 -10.730 39.597 56.047 1.00 90.16 C ATOM 84 O LYS 352 -11.572 39.639 56.941 1.00 90.16 O ATOM 85 N SER 353 -9.803 38.616 55.977 1.00 97.68 N ATOM 86 CA SER 353 -9.822 37.527 56.916 1.00 97.68 C ATOM 87 CB SER 353 -9.860 36.152 56.233 1.00 97.68 C ATOM 88 OG SER 353 -8.747 36.019 55.363 1.00 97.68 O ATOM 89 C SER 353 -8.605 37.586 57.790 1.00 97.68 C ATOM 90 O SER 353 -7.549 38.071 57.383 1.00 97.68 O ATOM 91 N PHE 354 -8.741 37.085 59.038 1.00146.21 N ATOM 92 CA PHE 354 -7.671 37.157 59.993 1.00146.21 C ATOM 93 CB PHE 354 -7.973 38.135 61.142 1.00146.21 C ATOM 94 CG PHE 354 -8.049 39.503 60.554 1.00146.21 C ATOM 95 CD1 PHE 354 -9.234 39.974 60.036 1.00146.21 C ATOM 96 CD2 PHE 354 -6.934 40.306 60.508 1.00146.21 C ATOM 97 CE1 PHE 354 -9.307 41.233 59.486 1.00146.21 C ATOM 98 CE2 PHE 354 -7.000 41.566 59.960 1.00146.21 C ATOM 99 CZ PHE 354 -8.188 42.030 59.448 1.00146.21 C ATOM 100 C PHE 354 -7.460 35.817 60.620 1.00146.21 C ATOM 101 O PHE 354 -8.373 34.998 60.724 1.00146.21 O ATOM 102 N SER 355 -6.204 35.568 61.034 1.00 75.97 N ATOM 103 CA SER 355 -5.820 34.352 61.684 1.00 75.97 C ATOM 104 CB SER 355 -4.297 34.211 61.821 1.00 75.97 C ATOM 105 OG SER 355 -3.989 32.992 62.479 1.00 75.97 O ATOM 106 C SER 355 -6.383 34.330 63.071 1.00 75.97 C ATOM 107 O SER 355 -6.712 33.264 63.593 1.00 75.97 O ATOM 108 N HIS 356 -6.515 35.507 63.721 1.00 71.69 N ATOM 109 CA HIS 356 -6.948 35.452 65.088 1.00 71.69 C ATOM 110 ND1 HIS 356 -6.963 35.909 68.379 1.00 71.69 N ATOM 111 CG HIS 356 -6.092 35.354 67.468 1.00 71.69 C ATOM 112 CB HIS 356 -5.851 35.867 66.080 1.00 71.69 C ATOM 113 NE2 HIS 356 -6.041 34.145 69.372 1.00 71.69 N ATOM 114 CD2 HIS 356 -5.538 34.278 68.091 1.00 71.69 C ATOM 115 CE1 HIS 356 -6.893 35.147 69.500 1.00 71.69 C ATOM 116 C HIS 356 -8.118 36.368 65.294 1.00 71.69 C ATOM 117 O HIS 356 -8.260 37.396 64.634 1.00 71.69 O ATOM 118 N SER 357 -8.989 35.987 66.249 1.00 69.40 N ATOM 119 CA SER 357 -10.186 36.711 66.563 1.00 69.40 C ATOM 120 CB SER 357 -11.059 35.980 67.598 1.00 69.40 C ATOM 121 OG SER 357 -10.346 35.837 68.817 1.00 69.40 O ATOM 122 C SER 357 -9.841 38.056 67.125 1.00 69.40 C ATOM 123 O SER 357 -10.513 39.043 66.831 1.00 69.40 O ATOM 124 N SER 358 -8.772 38.135 67.940 1.00 22.50 N ATOM 125 CA SER 358 -8.415 39.375 68.572 1.00 22.50 C ATOM 126 CB SER 358 -7.189 39.244 69.494 1.00 22.50 C ATOM 127 OG SER 358 -6.039 38.906 68.732 1.00 22.50 O ATOM 128 C SER 358 -8.084 40.384 67.518 1.00 22.50 C ATOM 129 O SER 358 -8.449 41.554 67.627 1.00 22.50 O ATOM 130 N HIS 359 -7.373 39.957 66.461 1.00 63.68 N ATOM 131 CA HIS 359 -7.018 40.874 65.418 1.00 63.68 C ATOM 132 ND1 HIS 359 -3.692 41.032 64.494 1.00 63.68 N ATOM 133 CG HIS 359 -4.676 40.115 64.791 1.00 63.68 C ATOM 134 CB HIS 359 -6.102 40.253 64.349 1.00 63.68 C ATOM 135 NE2 HIS 359 -2.727 39.426 65.689 1.00 63.68 N ATOM 136 CD2 HIS 359 -4.070 39.141 65.522 1.00 63.68 C ATOM 137 CE1 HIS 359 -2.546 40.570 65.054 1.00 63.68 C ATOM 138 C HIS 359 -8.263 41.339 64.732 1.00 63.68 C ATOM 139 O HIS 359 -8.395 42.517 64.407 1.00 63.68 O ATOM 140 N LEU 360 -9.219 40.419 64.504 1.00110.84 N ATOM 141 CA LEU 360 -10.412 40.760 63.786 1.00110.84 C ATOM 142 CB LEU 360 -11.333 39.534 63.609 1.00110.84 C ATOM 143 CG LEU 360 -12.655 39.780 62.852 1.00110.84 C ATOM 144 CD1 LEU 360 -13.676 40.558 63.699 1.00110.84 C ATOM 145 CD2 LEU 360 -12.398 40.429 61.484 1.00110.84 C ATOM 146 C LEU 360 -11.155 41.832 64.529 1.00110.84 C ATOM 147 O LEU 360 -11.548 42.835 63.937 1.00110.84 O ATOM 148 N ASN 361 -11.345 41.679 65.852 1.00 86.78 N ATOM 149 CA ASN 361 -12.112 42.686 66.530 1.00 86.78 C ATOM 150 CB ASN 361 -12.463 42.367 67.999 1.00 86.78 C ATOM 151 CG ASN 361 -11.213 42.287 68.856 1.00 86.78 C ATOM 152 OD1 ASN 361 -10.583 41.236 68.954 1.00 86.78 O ATOM 153 ND2 ASN 361 -10.852 43.423 69.512 1.00 86.78 N ATOM 154 C ASN 361 -11.372 43.981 66.464 1.00 86.78 C ATOM 155 O ASN 361 -11.973 45.039 66.279 1.00 86.78 O ATOM 156 N GLN 362 -10.035 43.922 66.585 1.00 29.23 N ATOM 157 CA GLN 362 -9.228 45.105 66.549 1.00 29.23 C ATOM 158 CB GLN 362 -7.733 44.768 66.678 1.00 29.23 C ATOM 159 CG GLN 362 -6.795 45.975 66.651 1.00 29.23 C ATOM 160 CD GLN 362 -5.374 45.445 66.795 1.00 29.23 C ATOM 161 OE1 GLN 362 -4.805 45.439 67.886 1.00 29.23 O ATOM 162 NE2 GLN 362 -4.788 44.977 65.660 1.00 29.23 N ATOM 163 C GLN 362 -9.436 45.744 65.215 1.00 29.23 C ATOM 164 O GLN 362 -9.598 46.960 65.117 1.00 29.23 O ATOM 165 N HIS 363 -9.454 44.925 64.147 1.00 27.44 N ATOM 166 CA HIS 363 -9.641 45.448 62.828 1.00 27.44 C ATOM 167 ND1 HIS 363 -8.578 45.384 59.635 1.00 27.44 N ATOM 168 CG HIS 363 -9.659 44.917 60.350 1.00 27.44 C ATOM 169 CB HIS 363 -9.577 44.363 61.740 1.00 27.44 C ATOM 170 NE2 HIS 363 -10.358 45.627 58.324 1.00 27.44 N ATOM 171 CD2 HIS 363 -10.737 45.074 59.534 1.00 27.44 C ATOM 172 CE1 HIS 363 -9.052 45.796 58.432 1.00 27.44 C ATOM 173 C HIS 363 -11.025 46.080 62.775 1.00 27.44 C ATOM 174 O HIS 363 -11.165 47.136 62.101 1.00 27.44 O ATOM 175 OXT HIS 363 -11.961 45.517 63.402 1.00 27.44 O