EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:58 REMARK 6 MODELLER OBJECTIVE FUNCTION: 109.1655 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1385.55811 REMARK 6 GA341 score: 0.99989 REMARK 6 Normalized DOPE score: -1.01051 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 114 0.657 30.898 53.562 1.00 30.34 N ATOM 2 CA GLU 114 -0.256 30.949 52.397 1.00 30.34 C ATOM 3 CB GLU 114 0.401 30.320 51.159 1.00 30.34 C ATOM 4 CG GLU 114 -0.505 30.349 49.926 1.00 30.34 C ATOM 5 CD GLU 114 0.184 29.550 48.832 1.00 30.34 C ATOM 6 OE1 GLU 114 0.750 28.474 49.162 1.00 30.34 O ATOM 7 OE2 GLU 114 0.154 30.001 47.656 1.00 30.34 O ATOM 8 C GLU 114 -1.529 30.217 52.649 1.00 30.34 C ATOM 9 O GLU 114 -1.557 29.221 53.371 1.00 30.34 O ATOM 10 N LYS 115 -2.636 30.722 52.074 1.00181.39 N ATOM 11 CA LYS 115 -3.883 30.040 52.232 1.00181.39 C ATOM 12 CB LYS 115 -4.989 30.929 52.825 1.00181.39 C ATOM 13 CG LYS 115 -5.122 32.286 52.134 1.00181.39 C ATOM 14 CD LYS 115 -3.932 33.220 52.352 1.00181.39 C ATOM 15 CE LYS 115 -4.082 34.090 53.601 1.00181.39 C ATOM 16 NZ LYS 115 -5.275 34.956 53.469 1.00181.39 N ATOM 17 C LYS 115 -4.301 29.576 50.874 1.00181.39 C ATOM 18 O LYS 115 -4.847 30.322 50.063 1.00181.39 O ATOM 19 N PRO 116 -4.007 28.334 50.626 1.00114.09 N ATOM 20 CA PRO 116 -4.309 27.718 49.364 1.00114.09 C ATOM 21 CD PRO 116 -2.843 27.729 51.249 1.00114.09 C ATOM 22 CB PRO 116 -3.408 26.484 49.262 1.00114.09 C ATOM 23 CG PRO 116 -2.812 26.310 50.671 1.00114.09 C ATOM 24 C PRO 116 -5.752 27.419 49.114 1.00114.09 C ATOM 25 O PRO 116 -6.095 27.166 47.959 1.00114.09 O ATOM 26 N PHE 117 -6.621 27.419 50.140 1.00 61.06 N ATOM 27 CA PHE 117 -7.974 27.024 49.866 1.00 61.06 C ATOM 28 CB PHE 117 -8.577 26.156 50.980 1.00 61.06 C ATOM 29 CG PHE 117 -7.784 24.903 50.962 1.00 61.06 C ATOM 30 CD1 PHE 117 -8.139 23.874 50.122 1.00 61.06 C ATOM 31 CD2 PHE 117 -6.680 24.766 51.771 1.00 61.06 C ATOM 32 CE1 PHE 117 -7.404 22.715 50.093 1.00 61.06 C ATOM 33 CE2 PHE 117 -5.939 23.609 51.746 1.00 61.06 C ATOM 34 CZ PHE 117 -6.301 22.585 50.903 1.00 61.06 C ATOM 35 C PHE 117 -8.831 28.239 49.752 1.00 61.06 C ATOM 36 O PHE 117 -8.968 28.998 50.708 1.00 61.06 O ATOM 37 N THR 118 -9.468 28.431 48.578 1.00 30.88 N ATOM 38 CA THR 118 -10.278 29.597 48.383 1.00 30.88 C ATOM 39 CB THR 118 -9.888 30.388 47.171 1.00 30.88 C ATOM 40 OG1 THR 118 -8.537 30.809 47.275 1.00 30.88 O ATOM 41 CG2 THR 118 -10.821 31.605 47.059 1.00 30.88 C ATOM 42 C THR 118 -11.691 29.163 48.183 1.00 30.88 C ATOM 43 O THR 118 -11.961 28.191 47.478 1.00 30.88 O ATOM 44 N CYS 119 -12.636 29.872 48.831 1.00 92.18 N ATOM 45 CA CYS 119 -14.015 29.515 48.680 1.00 92.18 C ATOM 46 CB CYS 119 -14.916 29.957 49.848 1.00 92.18 C ATOM 47 SG CYS 119 -15.003 31.756 50.025 1.00 92.18 S ATOM 48 C CYS 119 -14.534 30.137 47.423 1.00 92.18 C ATOM 49 O CYS 119 -14.263 31.298 47.119 1.00 92.18 O ATOM 50 N THR 120 -15.315 29.361 46.654 1.00 39.29 N ATOM 51 CA THR 120 -15.844 29.853 45.419 1.00 39.29 C ATOM 52 CB THR 120 -16.599 28.805 44.657 1.00 39.29 C ATOM 53 OG1 THR 120 -15.752 27.704 44.360 1.00 39.29 O ATOM 54 CG2 THR 120 -17.140 29.435 43.363 1.00 39.29 C ATOM 55 C THR 120 -16.808 30.965 45.701 1.00 39.29 C ATOM 56 O THR 120 -16.871 31.944 44.958 1.00 39.29 O ATOM 57 N GLN 121 -17.617 30.824 46.770 1.00115.77 N ATOM 58 CA GLN 121 -18.663 31.779 47.014 1.00115.77 C ATOM 59 CB GLN 121 -19.503 31.360 48.236 1.00115.77 C ATOM 60 CG GLN 121 -20.122 29.964 48.115 1.00115.77 C ATOM 61 CD GLN 121 -20.661 29.566 49.483 1.00115.77 C ATOM 62 OE1 GLN 121 -20.584 30.335 50.439 1.00115.77 O ATOM 63 NE2 GLN 121 -21.216 28.328 49.586 1.00115.77 N ATOM 64 C GLN 121 -18.139 33.153 47.342 1.00115.77 C ATOM 65 O GLN 121 -18.365 34.105 46.593 1.00115.77 O ATOM 66 N CYS 122 -17.439 33.269 48.493 1.00112.61 N ATOM 67 CA CYS 122 -16.918 34.504 49.033 1.00112.61 C ATOM 68 CB CYS 122 -16.513 34.386 50.508 1.00112.61 C ATOM 69 SG CYS 122 -17.857 33.818 51.574 1.00112.61 S ATOM 70 C CYS 122 -15.667 34.942 48.350 1.00112.61 C ATOM 71 O CYS 122 -15.482 36.118 48.043 1.00112.61 O ATOM 72 N GLY 123 -14.759 33.981 48.106 1.00 30.80 N ATOM 73 CA GLY 123 -13.471 34.305 47.577 1.00 30.80 C ATOM 74 C GLY 123 -12.508 34.385 48.726 1.00 30.80 C ATOM 75 O GLY 123 -11.331 34.685 48.528 1.00 30.80 O ATOM 76 N LYS 124 -12.972 34.122 49.967 1.00143.81 N ATOM 77 CA LYS 124 -12.061 34.199 51.075 1.00143.81 C ATOM 78 CB LYS 124 -12.739 34.456 52.432 1.00143.81 C ATOM 79 CG LYS 124 -13.472 33.271 53.047 1.00143.81 C ATOM 80 CD LYS 124 -14.047 33.619 54.422 1.00143.81 C ATOM 81 CE LYS 124 -13.087 34.425 55.302 1.00143.81 C ATOM 82 NZ LYS 124 -13.797 34.942 56.494 1.00143.81 N ATOM 83 C LYS 124 -11.236 32.949 51.119 1.00143.81 C ATOM 84 O LYS 124 -11.702 31.864 50.770 1.00143.81 O ATOM 85 N SER 125 -9.965 33.079 51.561 1.00 58.68 N ATOM 86 CA SER 125 -9.060 31.961 51.516 1.00 58.68 C ATOM 87 CB SER 125 -7.743 32.286 50.797 1.00 58.68 C ATOM 88 OG SER 125 -7.987 32.577 49.428 1.00 58.68 O ATOM 89 C SER 125 -8.721 31.502 52.902 1.00 58.68 C ATOM 90 O SER 125 -8.775 32.269 53.861 1.00 58.68 O ATOM 91 N PHE 126 -8.361 30.203 53.025 1.00150.59 N ATOM 92 CA PHE 126 -8.070 29.616 54.305 1.00150.59 C ATOM 93 CB PHE 126 -9.143 28.612 54.756 1.00150.59 C ATOM 94 CG PHE 126 -10.419 29.352 54.960 1.00150.59 C ATOM 95 CD1 PHE 126 -11.283 29.556 53.907 1.00150.59 C ATOM 96 CD2 PHE 126 -10.747 29.854 56.197 1.00150.59 C ATOM 97 CE1 PHE 126 -12.464 30.236 54.092 1.00150.59 C ATOM 98 CE2 PHE 126 -11.927 30.534 56.391 1.00150.59 C ATOM 99 CZ PHE 126 -12.782 30.730 55.334 1.00150.59 C ATOM 100 C PHE 126 -6.792 28.840 54.226 1.00150.59 C ATOM 101 O PHE 126 -6.402 28.335 53.174 1.00150.59 O ATOM 102 N SER 127 -6.089 28.756 55.371 1.00 83.86 N ATOM 103 CA SER 127 -4.868 28.016 55.470 1.00 83.86 C ATOM 104 CB SER 127 -4.092 28.319 56.757 1.00 83.86 C ATOM 105 OG SER 127 -3.651 29.666 56.748 1.00 83.86 O ATOM 106 C SER 127 -5.169 26.551 55.474 1.00 83.86 C ATOM 107 O SER 127 -4.353 25.749 55.024 1.00 83.86 O ATOM 108 N GLN 128 -6.352 26.154 55.991 1.00 47.10 N ATOM 109 CA GLN 128 -6.598 24.745 56.098 1.00 47.10 C ATOM 110 CB GLN 128 -6.748 24.249 57.547 1.00 47.10 C ATOM 111 CG GLN 128 -5.478 24.401 58.387 1.00 47.10 C ATOM 112 CD GLN 128 -5.774 23.830 59.768 1.00 47.10 C ATOM 113 OE1 GLN 128 -6.716 24.247 60.437 1.00 47.10 O ATOM 114 NE2 GLN 128 -4.962 22.833 60.209 1.00 47.10 N ATOM 115 C GLN 128 -7.850 24.361 55.377 1.00 47.10 C ATOM 116 O GLN 128 -8.810 25.124 55.287 1.00 47.10 O ATOM 117 N SER 129 -7.842 23.116 54.854 1.00 38.34 N ATOM 118 CA SER 129 -8.919 22.531 54.107 1.00 38.34 C ATOM 119 CB SER 129 -8.631 21.085 53.671 1.00 38.34 C ATOM 120 OG SER 129 -7.453 21.016 52.884 1.00 38.34 O ATOM 121 C SER 129 -10.118 22.413 54.991 1.00 38.34 C ATOM 122 O SER 129 -11.235 22.695 54.567 1.00 38.34 O ATOM 123 N SER 130 -9.910 21.992 56.253 1.00 61.89 N ATOM 124 CA SER 130 -11.012 21.741 57.138 1.00 61.89 C ATOM 125 CB SER 130 -10.562 21.215 58.510 1.00 61.89 C ATOM 126 OG SER 130 -11.692 20.987 59.341 1.00 61.89 O ATOM 127 C SER 130 -11.768 23.009 57.368 1.00 61.89 C ATOM 128 O SER 130 -12.997 23.003 57.421 1.00 61.89 O ATOM 129 N HIS 131 -11.048 24.136 57.514 1.00 38.16 N ATOM 130 CA HIS 131 -11.707 25.386 57.756 1.00 38.16 C ATOM 131 ND1 HIS 131 -9.105 25.732 59.717 1.00 38.16 N ATOM 132 CG HIS 131 -10.068 26.614 59.289 1.00 38.16 C ATOM 133 CB HIS 131 -10.738 26.567 57.949 1.00 38.16 C ATOM 134 NE2 HIS 131 -9.412 27.189 61.369 1.00 38.16 N ATOM 135 CD2 HIS 131 -10.245 27.498 60.311 1.00 38.16 C ATOM 136 CE1 HIS 131 -8.747 26.123 60.969 1.00 38.16 C ATOM 137 C HIS 131 -12.544 25.723 56.565 1.00 38.16 C ATOM 138 O HIS 131 -13.687 26.155 56.702 1.00 38.16 O ATOM 139 N LEU 132 -11.991 25.526 55.355 1.00108.02 N ATOM 140 CA LEU 132 -12.690 25.888 54.159 1.00108.02 C ATOM 141 CB LEU 132 -11.840 25.641 52.893 1.00108.02 C ATOM 142 CG LEU 132 -12.474 26.090 51.555 1.00108.02 C ATOM 143 CD1 LEU 132 -13.668 25.215 51.140 1.00108.02 C ATOM 144 CD2 LEU 132 -12.810 27.591 51.575 1.00108.02 C ATOM 145 C LEU 132 -13.942 25.072 54.065 1.00108.02 C ATOM 146 O LEU 132 -15.012 25.600 53.772 1.00108.02 O ATOM 147 N ASP 133 -13.848 23.761 54.352 1.00 32.70 N ATOM 148 CA ASP 133 -14.985 22.901 54.186 1.00 32.70 C ATOM 149 CB ASP 133 -14.697 21.437 54.567 1.00 32.70 C ATOM 150 CG ASP 133 -13.812 20.809 53.499 1.00 32.70 C ATOM 151 OD1 ASP 133 -13.596 21.468 52.447 1.00 32.70 O ATOM 152 OD2 ASP 133 -13.345 19.660 53.721 1.00 32.70 O ATOM 153 C ASP 133 -16.095 23.367 55.066 1.00 32.70 C ATOM 154 O ASP 133 -17.247 23.440 54.635 1.00 32.70 O ATOM 155 N LYS 134 -15.782 23.698 56.329 1.00127.27 N ATOM 156 CA LYS 134 -16.817 24.117 57.226 1.00127.27 C ATOM 157 CB LYS 134 -16.321 24.325 58.665 1.00127.27 C ATOM 158 CG LYS 134 -17.448 24.670 59.639 1.00127.27 C ATOM 159 CD LYS 134 -18.494 23.559 59.772 1.00127.27 C ATOM 160 CE LYS 134 -17.931 22.227 60.275 1.00127.27 C ATOM 161 NZ LYS 134 -19.003 21.205 60.332 1.00127.27 N ATOM 162 C LYS 134 -17.383 25.408 56.734 1.00127.27 C ATOM 163 O LYS 134 -18.597 25.607 56.744 1.00127.27 O ATOM 164 N HIS 135 -16.505 26.312 56.261 1.00 47.68 N ATOM 165 CA HIS 135 -16.925 27.609 55.828 1.00 47.68 C ATOM 166 ND1 HIS 135 -16.695 30.787 55.762 1.00 47.68 N ATOM 167 CG HIS 135 -16.164 29.848 54.906 1.00 47.68 C ATOM 168 CB HIS 135 -15.751 28.468 55.323 1.00 47.68 C ATOM 169 NE2 HIS 135 -16.606 31.738 53.755 1.00 47.68 N ATOM 170 CD2 HIS 135 -16.116 30.448 53.683 1.00 47.68 C ATOM 171 CE1 HIS 135 -16.941 31.898 55.023 1.00 47.68 C ATOM 172 C HIS 135 -17.889 27.455 54.699 1.00 47.68 C ATOM 173 O HIS 135 -18.934 28.102 54.686 1.00 47.68 O ATOM 174 N MET 136 -17.572 26.581 53.725 1.00 59.08 N ATOM 175 CA MET 136 -18.442 26.421 52.596 1.00 59.08 C ATOM 176 CB MET 136 -17.834 25.572 51.467 1.00 59.08 C ATOM 177 CG MET 136 -18.737 25.489 50.234 1.00 59.08 C ATOM 178 SD MET 136 -18.033 24.582 48.825 1.00 59.08 S ATOM 179 CE MET 136 -16.982 25.952 48.262 1.00 59.08 C ATOM 180 C MET 136 -19.733 25.743 53.034 1.00 59.08 C ATOM 181 O MET 136 -20.559 26.413 53.710 1.00 59.08 O ATOM 182 OXT MET 136 -19.923 24.550 52.677 1.00 59.08 O