EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:24 REMARK 6 MODELLER OBJECTIVE FUNCTION: 83.4916 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 66.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1498.74731 REMARK 6 GA341 score: 1.00000 REMARK 6 Normalized DOPE score: -0.53952 REMARK 6 TEMPLATE: 2i13A02 77:A - 97:A MODELS 1: - 21: AT 66.7% ATOM 1 N PRO 131 -6.194 37.520 56.518 1.00105.29 N ATOM 2 CA PRO 131 -6.103 36.068 56.222 1.00105.29 C ATOM 3 CD PRO 131 -6.535 38.267 55.262 1.00105.29 C ATOM 4 CB PRO 131 -6.216 35.927 54.705 1.00105.29 C ATOM 5 CG PRO 131 -6.951 37.193 54.246 1.00105.29 C ATOM 6 C PRO 131 -4.796 35.601 56.764 1.00105.29 C ATOM 7 O PRO 131 -4.759 34.546 57.393 1.00105.29 O ATOM 8 N TYR 132 -3.712 36.360 56.532 1.00 49.95 N ATOM 9 CA TYR 132 -2.437 35.951 57.040 1.00 49.95 C ATOM 10 CB TYR 132 -1.326 35.952 55.973 1.00 49.95 C ATOM 11 CG TYR 132 -1.606 34.857 54.995 1.00 49.95 C ATOM 12 CD1 TYR 132 -1.153 33.575 55.226 1.00 49.95 C ATOM 13 CD2 TYR 132 -2.313 35.106 53.841 1.00 49.95 C ATOM 14 CE1 TYR 132 -1.409 32.564 54.327 1.00 49.95 C ATOM 15 CE2 TYR 132 -2.573 34.102 52.939 1.00 49.95 C ATOM 16 CZ TYR 132 -2.121 32.829 53.182 1.00 49.95 C ATOM 17 OH TYR 132 -2.387 31.797 52.257 1.00 49.95 O ATOM 18 C TYR 132 -2.058 36.949 58.082 1.00 49.95 C ATOM 19 O TYR 132 -1.941 38.139 57.793 1.00 49.95 O ATOM 20 N TRP 133 -1.864 36.499 59.339 1.00107.41 N ATOM 21 CA TRP 133 -1.518 37.476 60.328 1.00107.41 C ATOM 22 CB TRP 133 -2.547 37.630 61.469 1.00107.41 C ATOM 23 CG TRP 133 -2.744 36.431 62.365 1.00107.41 C ATOM 24 CD2 TRP 133 -3.586 35.310 62.052 1.00107.41 C ATOM 25 CD1 TRP 133 -2.212 36.183 63.597 1.00107.41 C ATOM 26 NE1 TRP 133 -2.677 34.982 64.077 1.00107.41 N ATOM 27 CE2 TRP 133 -3.523 34.433 63.137 1.00107.41 C ATOM 28 CE3 TRP 133 -4.355 35.036 60.957 1.00107.41 C ATOM 29 CZ2 TRP 133 -4.230 33.266 63.141 1.00107.41 C ATOM 30 CZ3 TRP 133 -5.063 33.855 60.963 1.00107.41 C ATOM 31 CH2 TRP 133 -5.001 32.987 62.036 1.00107.41 C ATOM 32 C TRP 133 -0.186 37.131 60.905 1.00107.41 C ATOM 33 O TRP 133 0.185 35.963 61.007 1.00107.41 O ATOM 34 N CYS 134 0.583 38.179 61.264 1.00 43.92 N ATOM 35 CA CYS 134 1.892 38.020 61.828 1.00 43.92 C ATOM 36 CB CYS 134 2.747 39.302 61.770 1.00 43.92 C ATOM 37 SG CYS 134 4.406 39.069 62.477 1.00 43.92 S ATOM 38 C CYS 134 1.742 37.625 63.260 1.00 43.92 C ATOM 39 O CYS 134 0.975 38.224 64.010 1.00 43.92 O ATOM 40 N THR 135 2.496 36.592 63.678 1.00105.01 N ATOM 41 CA THR 135 2.382 36.098 65.017 1.00105.01 C ATOM 42 CB THR 135 3.170 34.837 65.249 1.00105.01 C ATOM 43 OG1 THR 135 2.875 34.310 66.533 1.00105.01 O ATOM 44 CG2 THR 135 4.672 35.139 65.129 1.00105.01 C ATOM 45 C THR 135 2.839 37.128 66.002 1.00105.01 C ATOM 46 O THR 135 2.198 37.316 67.034 1.00105.01 O ATOM 47 N GLU 136 3.975 37.802 65.735 1.00 99.89 N ATOM 48 CA GLU 136 4.471 38.707 66.729 1.00 99.89 C ATOM 49 CB GLU 136 5.923 39.140 66.460 1.00 99.89 C ATOM 50 CG GLU 136 6.567 39.929 67.606 1.00 99.89 C ATOM 51 CD GLU 136 7.006 38.965 68.705 1.00 99.89 C ATOM 52 OE1 GLU 136 6.179 38.107 69.114 1.00 99.89 O ATOM 53 OE2 GLU 136 8.181 39.075 69.149 1.00 99.89 O ATOM 54 C GLU 136 3.646 39.956 66.865 1.00 99.89 C ATOM 55 O GLU 136 3.130 40.251 67.944 1.00 99.89 O ATOM 56 N CYS 137 3.520 40.725 65.760 1.00 59.61 N ATOM 57 CA CYS 137 2.848 42.000 65.766 1.00 59.61 C ATOM 58 CB CYS 137 3.248 42.890 64.574 1.00 59.61 C ATOM 59 SG CYS 137 2.916 42.133 62.957 1.00 59.61 S ATOM 60 C CYS 137 1.357 41.859 65.806 1.00 59.61 C ATOM 61 O CYS 137 0.681 42.603 66.513 1.00 59.61 O ATOM 62 N GLY 138 0.798 40.893 65.051 1.00 26.38 N ATOM 63 CA GLY 138 -0.629 40.729 65.032 1.00 26.38 C ATOM 64 C GLY 138 -1.203 41.419 63.825 1.00 26.38 C ATOM 65 O GLY 138 -2.417 41.413 63.627 1.00 26.38 O ATOM 66 N LYS 139 -0.347 42.031 62.979 1.00 79.42 N ATOM 67 CA LYS 139 -0.824 42.722 61.810 1.00 79.42 C ATOM 68 CB LYS 139 0.239 43.630 61.155 1.00 79.42 C ATOM 69 CG LYS 139 -0.303 44.572 60.069 1.00 79.42 C ATOM 70 CD LYS 139 0.691 45.663 59.644 1.00 79.42 C ATOM 71 CE LYS 139 0.154 46.619 58.574 1.00 79.42 C ATOM 72 NZ LYS 139 -0.817 47.562 59.176 1.00 79.42 N ATOM 73 C LYS 139 -1.243 41.702 60.794 1.00 79.42 C ATOM 74 O LYS 139 -0.621 40.648 60.674 1.00 79.42 O ATOM 75 N SER 140 -2.321 41.998 60.030 1.00 53.80 N ATOM 76 CA SER 140 -2.813 41.052 59.064 1.00 53.80 C ATOM 77 CB SER 140 -4.304 40.710 59.211 1.00 53.80 C ATOM 78 OG SER 140 -4.508 39.987 60.414 1.00 53.80 O ATOM 79 C SER 140 -2.619 41.596 57.686 1.00 53.80 C ATOM 80 O SER 140 -2.609 42.808 57.472 1.00 53.80 O ATOM 81 N PHE 141 -2.448 40.676 56.711 1.00148.19 N ATOM 82 CA PHE 141 -2.180 41.058 55.353 1.00148.19 C ATOM 83 CB PHE 141 -0.747 40.724 54.918 1.00148.19 C ATOM 84 CG PHE 141 0.183 41.590 55.695 1.00148.19 C ATOM 85 CD1 PHE 141 0.662 41.191 56.923 1.00148.19 C ATOM 86 CD2 PHE 141 0.569 42.811 55.194 1.00148.19 C ATOM 87 CE1 PHE 141 1.520 41.996 57.635 1.00148.19 C ATOM 88 CE2 PHE 141 1.427 43.622 55.897 1.00148.19 C ATOM 89 CZ PHE 141 1.903 43.213 57.120 1.00148.19 C ATOM 90 C PHE 141 -3.079 40.305 54.423 1.00148.19 C ATOM 91 O PHE 141 -3.549 39.207 54.718 1.00148.19 O ATOM 92 N SER 142 -3.345 40.928 53.261 1.00 81.62 N ATOM 93 CA SER 142 -4.154 40.354 52.231 1.00 81.62 C ATOM 94 CB SER 142 -4.476 41.358 51.117 1.00 81.62 C ATOM 95 OG SER 142 -5.231 42.431 51.653 1.00 81.62 O ATOM 96 C SER 142 -3.416 39.220 51.594 1.00 81.62 C ATOM 97 O SER 142 -4.024 38.207 51.250 1.00 81.62 O ATOM 98 N GLN 143 -2.083 39.350 51.422 1.00 44.88 N ATOM 99 CA GLN 143 -1.376 38.323 50.708 1.00 44.88 C ATOM 100 CB GLN 143 -0.701 38.830 49.422 1.00 44.88 C ATOM 101 CG GLN 143 -1.672 39.361 48.368 1.00 44.88 C ATOM 102 CD GLN 143 -0.844 39.864 47.192 1.00 44.88 C ATOM 103 OE1 GLN 143 0.271 39.402 46.958 1.00 44.88 O ATOM 104 NE2 GLN 143 -1.389 40.859 46.444 1.00 44.88 N ATOM 105 C GLN 143 -0.288 37.750 51.561 1.00 44.88 C ATOM 106 O GLN 143 0.290 38.432 52.408 1.00 44.88 O ATOM 107 N LYS 144 0.007 36.451 51.335 1.00 65.70 N ATOM 108 CA LYS 144 1.004 35.725 52.068 1.00 65.70 C ATOM 109 CB LYS 144 1.064 34.222 51.736 1.00 65.70 C ATOM 110 CG LYS 144 1.964 33.436 52.697 1.00 65.70 C ATOM 111 CD LYS 144 1.781 31.917 52.631 1.00 65.70 C ATOM 112 CE LYS 144 2.474 31.162 53.770 1.00 65.70 C ATOM 113 NZ LYS 144 1.653 31.238 55.001 1.00 65.70 N ATOM 114 C LYS 144 2.357 36.290 51.779 1.00 65.70 C ATOM 115 O LYS 144 3.189 36.379 52.680 1.00 65.70 O ATOM 116 N HIS 145 2.610 36.693 50.517 1.00 64.88 N ATOM 117 CA HIS 145 3.909 37.183 50.150 1.00 64.88 C ATOM 118 ND1 HIS 145 6.309 37.395 47.645 1.00 64.88 N ATOM 119 CG HIS 145 5.368 38.141 48.320 1.00 64.88 C ATOM 120 CB HIS 145 4.000 37.639 48.682 1.00 64.88 C ATOM 121 NE2 HIS 145 7.253 39.361 48.081 1.00 64.88 N ATOM 122 CD2 HIS 145 5.961 39.340 48.576 1.00 64.88 C ATOM 123 CE1 HIS 145 7.416 38.172 47.531 1.00 64.88 C ATOM 124 C HIS 145 4.211 38.388 50.979 1.00 64.88 C ATOM 125 O HIS 145 5.331 38.562 51.455 1.00 64.88 O ATOM 126 N ASN 146 3.210 39.263 51.171 1.00 40.39 N ATOM 127 CA ASN 146 3.429 40.468 51.915 1.00 40.39 C ATOM 128 CB ASN 146 2.169 41.334 52.043 1.00 40.39 C ATOM 129 CG ASN 146 1.768 41.843 50.673 1.00 40.39 C ATOM 130 OD1 ASN 146 2.592 41.944 49.766 1.00 40.39 O ATOM 131 ND2 ASN 146 0.459 42.183 50.525 1.00 40.39 N ATOM 132 C ASN 146 3.785 40.108 53.318 1.00 40.39 C ATOM 133 O ASN 146 4.710 40.668 53.900 1.00 40.39 O ATOM 134 N LEU 147 3.048 39.153 53.907 1.00 65.01 N ATOM 135 CA LEU 147 3.291 38.824 55.278 1.00 65.01 C ATOM 136 CB LEU 147 2.269 37.834 55.849 1.00 65.01 C ATOM 137 CG LEU 147 2.543 37.498 57.322 1.00 65.01 C ATOM 138 CD1 LEU 147 2.530 38.761 58.192 1.00 65.01 C ATOM 139 CD2 LEU 147 1.554 36.445 57.828 1.00 65.01 C ATOM 140 C LEU 147 4.657 38.235 55.440 1.00 65.01 C ATOM 141 O LEU 147 5.375 38.579 56.377 1.00 65.01 O ATOM 142 N GLU 148 5.074 37.355 54.513 1.00 66.91 N ATOM 143 CA GLU 148 6.336 36.683 54.659 1.00 66.91 C ATOM 144 CB GLU 148 6.622 35.738 53.482 1.00 66.91 C ATOM 145 CG GLU 148 5.609 34.596 53.368 1.00 66.91 C ATOM 146 CD GLU 148 5.836 33.659 54.546 1.00 66.91 C ATOM 147 OE1 GLU 148 7.017 33.488 54.954 1.00 66.91 O ATOM 148 OE2 GLU 148 4.831 33.098 55.055 1.00 66.91 O ATOM 149 C GLU 148 7.423 37.710 54.698 1.00 66.91 C ATOM 150 O GLU 148 8.333 37.634 55.521 1.00 66.91 O ATOM 151 N VAL 149 7.348 38.703 53.797 1.00 26.19 N ATOM 152 CA VAL 149 8.337 39.735 53.737 1.00 26.19 C ATOM 153 CB VAL 149 8.094 40.668 52.590 1.00 26.19 C ATOM 154 CG1 VAL 149 9.096 41.827 52.672 1.00 26.19 C ATOM 155 CG2 VAL 149 8.196 39.853 51.287 1.00 26.19 C ATOM 156 C VAL 149 8.297 40.527 55.005 1.00 26.19 C ATOM 157 O VAL 149 9.335 40.817 55.599 1.00 26.19 O ATOM 158 N HIS 150 7.082 40.868 55.471 1.00 48.48 N ATOM 159 CA HIS 150 6.936 41.712 56.620 1.00 48.48 C ATOM 160 ND1 HIS 150 5.558 44.369 57.867 1.00 48.48 N ATOM 161 CG HIS 150 5.269 43.029 58.014 1.00 48.48 C ATOM 162 CB HIS 150 5.460 42.006 56.934 1.00 48.48 C ATOM 163 NE2 HIS 150 4.781 44.108 59.935 1.00 48.48 N ATOM 164 CD2 HIS 150 4.796 42.887 59.282 1.00 48.48 C ATOM 165 CE1 HIS 150 5.246 44.966 59.046 1.00 48.48 C ATOM 166 C HIS 150 7.554 41.040 57.798 1.00 48.48 C ATOM 167 O HIS 150 8.295 41.661 58.559 1.00 48.48 O ATOM 168 N MET 151 7.277 39.736 57.967 1.00 68.56 N ATOM 169 CA MET 151 7.821 39.025 59.083 1.00 68.56 C ATOM 170 CB MET 151 6.950 37.830 59.503 1.00 68.56 C ATOM 171 CG MET 151 6.830 36.763 58.416 1.00 68.56 C ATOM 172 SD MET 151 5.533 35.525 58.708 1.00 68.56 S ATOM 173 CE MET 151 6.241 34.924 60.267 1.00 68.56 C ATOM 174 C MET 151 9.180 38.495 58.673 1.00 68.56 C ATOM 175 O MET 151 9.850 37.867 59.534 1.00 68.56 O ATOM 176 OXT MET 151 9.565 38.704 57.491 1.00 68.56 O