EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:25 REMARK 6 MODELLER OBJECTIVE FUNCTION: 97.7501 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1263.60107 REMARK 6 GA341 score: 0.96634 REMARK 6 Normalized DOPE score: -0.67111 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 312 2.438 25.743 46.388 1.00 57.14 N ATOM 2 CA GLU 312 1.391 24.816 46.874 1.00 57.14 C ATOM 3 CB GLU 312 1.745 23.367 46.501 1.00 57.14 C ATOM 4 CG GLU 312 1.723 23.092 44.996 1.00 57.14 C ATOM 5 CD GLU 312 2.150 21.648 44.778 1.00 57.14 C ATOM 6 OE1 GLU 312 2.617 21.013 45.764 1.00 57.14 O ATOM 7 OE2 GLU 312 2.020 21.156 43.625 1.00 57.14 O ATOM 8 C GLU 312 1.279 24.907 48.360 1.00 57.14 C ATOM 9 O GLU 312 2.028 25.644 49.001 1.00 57.14 O ATOM 10 N LYS 313 0.312 24.177 48.952 1.00109.80 N ATOM 11 CA LYS 313 0.177 24.227 50.380 1.00109.80 C ATOM 12 CB LYS 313 -1.220 24.650 50.871 1.00109.80 C ATOM 13 CG LYS 313 -1.610 26.093 50.540 1.00109.80 C ATOM 14 CD LYS 313 -2.016 26.321 49.083 1.00109.80 C ATOM 15 CE LYS 313 -3.516 26.134 48.840 1.00109.80 C ATOM 16 NZ LYS 313 -3.888 26.667 47.510 1.00109.80 N ATOM 17 C LYS 313 0.395 22.845 50.909 1.00109.80 C ATOM 18 O LYS 313 -0.484 21.990 50.871 1.00109.80 O ATOM 19 N PRO 314 1.581 22.633 51.399 1.00110.77 N ATOM 20 CA PRO 314 1.931 21.344 51.932 1.00110.77 C ATOM 21 CD PRO 314 2.720 23.288 50.777 1.00110.77 C ATOM 22 CB PRO 314 3.460 21.329 51.998 1.00110.77 C ATOM 23 CG PRO 314 3.884 22.292 50.875 1.00110.77 C ATOM 24 C PRO 314 1.274 20.946 53.221 1.00110.77 C ATOM 25 O PRO 314 1.189 19.746 53.480 1.00110.77 O ATOM 26 N TYR 315 0.789 21.889 54.051 1.00 60.76 N ATOM 27 CA TYR 315 0.298 21.432 55.321 1.00 60.76 C ATOM 28 CB TYR 315 0.881 22.218 56.509 1.00 60.76 C ATOM 29 CG TYR 315 2.370 22.045 56.487 1.00 60.76 C ATOM 30 CD1 TYR 315 2.971 20.899 56.960 1.00 60.76 C ATOM 31 CD2 TYR 315 3.176 23.044 55.989 1.00 60.76 C ATOM 32 CE1 TYR 315 4.341 20.752 56.939 1.00 60.76 C ATOM 33 CE2 TYR 315 4.545 22.905 55.965 1.00 60.76 C ATOM 34 CZ TYR 315 5.135 21.758 56.443 1.00 60.76 C ATOM 35 OH TYR 315 6.540 21.609 56.424 1.00 60.76 O ATOM 36 C TYR 315 -1.192 21.565 55.338 1.00 60.76 C ATOM 37 O TYR 315 -1.740 22.637 55.087 1.00 60.76 O ATOM 38 N THR 316 -1.897 20.455 55.641 1.00101.36 N ATOM 39 CA THR 316 -3.330 20.509 55.612 1.00101.36 C ATOM 40 CB THR 316 -3.949 19.514 54.677 1.00101.36 C ATOM 41 OG1 THR 316 -5.334 19.790 54.523 1.00101.36 O ATOM 42 CG2 THR 316 -3.753 18.104 55.257 1.00101.36 C ATOM 43 C THR 316 -3.876 20.240 56.978 1.00101.36 C ATOM 44 O THR 316 -3.339 19.433 57.737 1.00101.36 O ATOM 45 N CYS 317 -4.979 20.940 57.317 1.00 46.31 N ATOM 46 CA CYS 317 -5.633 20.823 58.591 1.00 46.31 C ATOM 47 CB CYS 317 -6.625 21.972 58.865 1.00 46.31 C ATOM 48 SG CYS 317 -7.481 21.842 60.466 1.00 46.31 S ATOM 49 C CYS 317 -6.386 19.530 58.642 1.00 46.31 C ATOM 50 O CYS 317 -7.064 19.143 57.692 1.00 46.31 O ATOM 51 N THR 318 -6.284 18.828 59.782 1.00113.55 N ATOM 52 CA THR 318 -6.925 17.555 59.931 1.00113.55 C ATOM 53 CB THR 318 -6.617 16.930 61.261 1.00113.55 C ATOM 54 OG1 THR 318 -7.131 17.737 62.312 1.00113.55 O ATOM 55 CG2 THR 318 -5.090 16.803 61.395 1.00113.55 C ATOM 56 C THR 318 -8.411 17.705 59.862 1.00113.55 C ATOM 57 O THR 318 -9.086 16.947 59.167 1.00113.55 O ATOM 58 N GLN 319 -8.971 18.672 60.617 1.00110.85 N ATOM 59 CA GLN 319 -10.404 18.744 60.667 1.00110.85 C ATOM 60 CB GLN 319 -10.913 19.619 61.829 1.00110.85 C ATOM 61 CG GLN 319 -10.514 21.094 61.744 1.00110.85 C ATOM 62 CD GLN 319 -11.097 21.804 62.957 1.00110.85 C ATOM 63 OE1 GLN 319 -11.723 21.181 63.813 1.00110.85 O ATOM 64 NE2 GLN 319 -10.891 23.146 63.035 1.00110.85 N ATOM 65 C GLN 319 -11.049 19.243 59.402 1.00110.85 C ATOM 66 O GLN 319 -11.888 18.553 58.824 1.00110.85 O ATOM 67 N CYS 320 -10.687 20.467 58.961 1.00 64.89 N ATOM 68 CA CYS 320 -11.295 21.104 57.817 1.00 64.89 C ATOM 69 CB CYS 320 -11.129 22.634 57.833 1.00 64.89 C ATOM 70 SG CYS 320 -9.393 23.156 57.943 1.00 64.89 S ATOM 71 C CYS 320 -10.793 20.576 56.504 1.00 64.89 C ATOM 72 O CYS 320 -11.564 20.413 55.559 1.00 64.89 O ATOM 73 N GLY 321 -9.481 20.294 56.402 1.00 26.36 N ATOM 74 CA GLY 321 -8.938 19.851 55.152 1.00 26.36 C ATOM 75 C GLY 321 -8.379 21.042 54.428 1.00 26.36 C ATOM 76 O GLY 321 -7.928 20.924 53.289 1.00 26.36 O ATOM 77 N LYS 322 -8.392 22.232 55.064 1.00 99.83 N ATOM 78 CA LYS 322 -7.871 23.410 54.421 1.00 99.83 C ATOM 79 CB LYS 322 -8.356 24.710 55.104 1.00 99.83 C ATOM 80 CG LYS 322 -8.151 25.986 54.284 1.00 99.83 C ATOM 81 CD LYS 322 -9.114 27.113 54.674 1.00 99.83 C ATOM 82 CE LYS 322 -8.977 27.567 56.127 1.00 99.83 C ATOM 83 NZ LYS 322 -10.079 28.490 56.487 1.00 99.83 N ATOM 84 C LYS 322 -6.365 23.319 54.424 1.00 99.83 C ATOM 85 O LYS 322 -5.773 22.778 55.356 1.00 99.83 O ATOM 86 N SER 323 -5.697 23.838 53.366 1.00 98.68 N ATOM 87 CA SER 323 -4.264 23.691 53.265 1.00 98.68 C ATOM 88 CB SER 323 -3.828 23.002 51.959 1.00 98.68 C ATOM 89 OG SER 323 -4.361 23.697 50.842 1.00 98.68 O ATOM 90 C SER 323 -3.577 25.025 53.360 1.00 98.68 C ATOM 91 O SER 323 -4.144 26.060 53.005 1.00 98.68 O ATOM 92 N PHE 324 -2.316 25.030 53.861 1.00148.87 N ATOM 93 CA PHE 324 -1.594 26.259 54.071 1.00148.87 C ATOM 94 CB PHE 324 -1.518 26.644 55.559 1.00148.87 C ATOM 95 CG PHE 324 -2.901 26.953 56.023 1.00148.87 C ATOM 96 CD1 PHE 324 -3.730 25.958 56.491 1.00148.87 C ATOM 97 CD2 PHE 324 -3.370 28.245 55.982 1.00148.87 C ATOM 98 CE1 PHE 324 -5.007 26.252 56.916 1.00148.87 C ATOM 99 CE2 PHE 324 -4.642 28.545 56.406 1.00148.87 C ATOM 100 CZ PHE 324 -5.461 27.548 56.877 1.00148.87 C ATOM 101 C PHE 324 -0.176 26.123 53.588 1.00148.87 C ATOM 102 O PHE 324 0.378 25.027 53.509 1.00148.87 O ATOM 103 N SER 325 0.437 27.271 53.234 1.00 80.47 N ATOM 104 CA SER 325 1.788 27.345 52.750 1.00 80.47 C ATOM 105 CB SER 325 2.158 28.753 52.265 1.00 80.47 C ATOM 106 OG SER 325 1.299 29.137 51.204 1.00 80.47 O ATOM 107 C SER 325 2.739 27.027 53.860 1.00 80.47 C ATOM 108 O SER 325 3.770 26.390 53.643 1.00 80.47 O ATOM 109 N VAL 326 2.428 27.469 55.093 1.00 92.94 N ATOM 110 CA VAL 326 3.396 27.245 56.125 1.00 92.94 C ATOM 111 CB VAL 326 4.136 28.490 56.512 1.00 92.94 C ATOM 112 CG1 VAL 326 3.131 29.506 57.074 1.00 92.94 C ATOM 113 CG2 VAL 326 5.251 28.110 57.497 1.00 92.94 C ATOM 114 C VAL 326 2.744 26.681 57.347 1.00 92.94 C ATOM 115 O VAL 326 1.555 26.879 57.600 1.00 92.94 O ATOM 116 N SER 327 3.549 25.954 58.146 1.00 68.42 N ATOM 117 CA SER 327 3.096 25.283 59.329 1.00 68.42 C ATOM 118 CB SER 327 4.194 24.460 60.011 1.00 68.42 C ATOM 119 OG SER 327 3.667 23.844 61.178 1.00 68.42 O ATOM 120 C SER 327 2.601 26.261 60.349 1.00 68.42 C ATOM 121 O SER 327 1.611 25.998 61.029 1.00 68.42 O ATOM 122 N SER 328 3.269 27.420 60.490 1.00 59.24 N ATOM 123 CA SER 328 2.879 28.352 61.510 1.00 59.24 C ATOM 124 CB SER 328 3.767 29.610 61.536 1.00 59.24 C ATOM 125 OG SER 328 3.341 30.499 62.559 1.00 59.24 O ATOM 126 C SER 328 1.475 28.798 61.244 1.00 59.24 C ATOM 127 O SER 328 0.667 28.926 62.163 1.00 59.24 O ATOM 128 N SER 329 1.150 29.039 59.961 1.00 64.10 N ATOM 129 CA SER 329 -0.154 29.509 59.600 1.00 64.10 C ATOM 130 CB SER 329 -0.297 29.757 58.087 1.00 64.10 C ATOM 131 OG SER 329 -1.605 30.215 57.781 1.00 64.10 O ATOM 132 C SER 329 -1.151 28.454 59.960 1.00 64.10 C ATOM 133 O SER 329 -2.216 28.751 60.495 1.00 64.10 O ATOM 134 N LEU 330 -0.809 27.184 59.681 1.00108.11 N ATOM 135 CA LEU 330 -1.698 26.088 59.931 1.00108.11 C ATOM 136 CB LEU 330 -1.086 24.755 59.451 1.00108.11 C ATOM 137 CG LEU 330 -1.952 23.495 59.666 1.00108.11 C ATOM 138 CD1 LEU 330 -1.983 23.065 61.142 1.00108.11 C ATOM 139 CD2 LEU 330 -3.358 23.667 59.069 1.00108.11 C ATOM 140 C LEU 330 -1.972 26.000 61.397 1.00108.11 C ATOM 141 O LEU 330 -3.119 25.846 61.814 1.00108.11 O ATOM 142 N ASN 331 -0.929 26.134 62.235 1.00 39.61 N ATOM 143 CA ASN 331 -1.139 25.967 63.644 1.00 39.61 C ATOM 144 CB ASN 331 0.150 26.034 64.474 1.00 39.61 C ATOM 145 CG ASN 331 0.849 24.691 64.318 1.00 39.61 C ATOM 146 OD1 ASN 331 0.281 23.736 63.785 1.00 39.61 O ATOM 147 ND2 ASN 331 2.110 24.606 64.816 1.00 39.61 N ATOM 148 C ASN 331 -2.091 26.998 64.148 1.00 39.61 C ATOM 149 O ASN 331 -2.972 26.690 64.949 1.00 39.61 O ATOM 150 N SER 332 -1.959 28.254 63.691 1.00 56.80 N ATOM 151 CA SER 332 -2.863 29.238 64.204 1.00 56.80 C ATOM 152 CB SER 332 -2.611 30.654 63.655 1.00 56.80 C ATOM 153 OG SER 332 -3.530 31.568 64.233 1.00 56.80 O ATOM 154 C SER 332 -4.238 28.831 63.789 1.00 56.80 C ATOM 155 O SER 332 -5.190 28.944 64.560 1.00 56.80 O ATOM 156 N HIS 333 -4.359 28.300 62.557 1.00 43.55 N ATOM 157 CA HIS 333 -5.638 27.939 62.027 1.00 43.55 C ATOM 158 ND1 HIS 333 -7.760 27.832 59.468 1.00 43.55 N ATOM 159 CG HIS 333 -6.900 26.949 60.082 1.00 43.55 C ATOM 160 CB HIS 333 -5.554 27.320 60.623 1.00 43.55 C ATOM 161 NE2 HIS 333 -8.777 25.856 59.471 1.00 43.55 N ATOM 162 CD2 HIS 333 -7.539 25.746 60.076 1.00 43.55 C ATOM 163 CE1 HIS 333 -8.865 27.127 59.123 1.00 43.55 C ATOM 164 C HIS 333 -6.266 26.914 62.907 1.00 43.55 C ATOM 165 O HIS 333 -7.429 27.051 63.280 1.00 43.55 O ATOM 166 N MET 334 -5.519 25.859 63.278 1.00 18.72 N ATOM 167 CA MET 334 -6.123 24.862 64.111 1.00 18.72 C ATOM 168 CB MET 334 -5.231 23.636 64.385 1.00 18.72 C ATOM 169 CG MET 334 -5.021 22.745 63.156 1.00 18.72 C ATOM 170 SD MET 334 -4.235 21.139 63.497 1.00 18.72 S ATOM 171 CE MET 334 -2.578 21.805 63.825 1.00 18.72 C ATOM 172 C MET 334 -6.461 25.515 65.444 1.00 18.72 C ATOM 173 O MET 334 -7.629 25.372 65.893 1.00 18.72 O ATOM 174 OXT MET 334 -5.555 26.166 66.029 1.00 18.72 O