EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:21:08 REMARK 6 MODELLER OBJECTIVE FUNCTION: 74.2448 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.130 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1481.51624 REMARK 6 GA341 score: 0.84456 REMARK 6 Normalized DOPE score: -0.78326 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 39.1% ATOM 1 N GLU 81 0.333 44.359 69.290 1.00 64.29 N ATOM 2 CA GLU 81 1.422 44.597 68.318 1.00 64.29 C ATOM 3 CB GLU 81 2.638 43.708 68.636 1.00 64.29 C ATOM 4 CG GLU 81 2.355 42.209 68.522 1.00 64.29 C ATOM 5 CD GLU 81 3.689 41.474 68.554 1.00 64.29 C ATOM 6 OE1 GLU 81 4.747 42.160 68.546 1.00 64.29 O ATOM 7 OE2 GLU 81 3.664 40.215 68.582 1.00 64.29 O ATOM 8 C GLU 81 0.988 44.271 66.927 1.00 64.29 C ATOM 9 O GLU 81 1.641 44.673 65.964 1.00 64.29 O ATOM 10 N ARG 82 -0.137 43.537 66.777 1.00128.16 N ATOM 11 CA ARG 82 -0.530 43.172 65.444 1.00128.16 C ATOM 12 CB ARG 82 -0.889 41.683 65.303 1.00128.16 C ATOM 13 CG ARG 82 -0.438 40.833 66.490 1.00128.16 C ATOM 14 CD ARG 82 -1.302 41.142 67.718 1.00128.16 C ATOM 15 NE ARG 82 -0.986 40.179 68.807 1.00128.16 N ATOM 16 CZ ARG 82 -1.841 40.100 69.868 1.00128.16 C ATOM 17 NH1 ARG 82 -2.959 40.883 69.908 1.00128.16 N ATOM 18 NH2 ARG 82 -1.581 39.234 70.890 1.00128.16 N ATOM 19 C ARG 82 -1.818 43.880 65.150 1.00128.16 C ATOM 20 O ARG 82 -2.894 43.386 65.482 1.00128.16 O ATOM 21 N PRO 83 -1.736 45.024 64.542 1.00161.06 N ATOM 22 CA PRO 83 -2.933 45.745 64.203 1.00161.06 C ATOM 23 CD PRO 83 -0.653 45.929 64.892 1.00161.06 C ATOM 24 CB PRO 83 -2.514 47.201 64.011 1.00161.06 C ATOM 25 CG PRO 83 -1.269 47.337 64.897 1.00161.06 C ATOM 26 C PRO 83 -3.697 45.207 63.033 1.00161.06 C ATOM 27 O PRO 83 -4.825 45.651 62.831 1.00161.06 O ATOM 28 N TYR 84 -3.137 44.272 62.241 1.00 63.40 N ATOM 29 CA TYR 84 -3.839 43.901 61.043 1.00 63.40 C ATOM 30 CB TYR 84 -2.924 43.894 59.810 1.00 63.40 C ATOM 31 CG TYR 84 -2.253 45.224 59.768 1.00 63.40 C ATOM 32 CD1 TYR 84 -2.868 46.326 59.221 1.00 63.40 C ATOM 33 CD2 TYR 84 -0.990 45.361 60.295 1.00 63.40 C ATOM 34 CE1 TYR 84 -2.225 47.543 59.198 1.00 63.40 C ATOM 35 CE2 TYR 84 -0.340 46.572 60.276 1.00 63.40 C ATOM 36 CZ TYR 84 -0.960 47.668 59.726 1.00 63.40 C ATOM 37 OH TYR 84 -0.302 48.917 59.701 1.00 63.40 O ATOM 38 C TYR 84 -4.365 42.512 61.209 1.00 63.40 C ATOM 39 O TYR 84 -3.612 41.583 61.496 1.00 63.40 O ATOM 40 N THR 85 -5.689 42.331 61.017 1.00 99.29 N ATOM 41 CA THR 85 -6.264 41.035 61.228 1.00 99.29 C ATOM 42 CB THR 85 -7.363 41.029 62.250 0.50 99.29 C ATOM 43 OG1 THR 85 -7.772 39.697 62.519 1.00 99.29 O ATOM 44 CG2 THR 85 -8.547 41.848 61.708 1.00 99.29 C ATOM 45 C THR 85 -6.854 40.516 59.958 1.00 99.29 C ATOM 46 O THR 85 -7.364 41.267 59.129 1.00 99.29 O ATOM 47 N CYS 86 -6.784 39.181 59.782 1.00 32.22 N ATOM 48 CA CYS 86 -7.357 38.547 58.634 1.00 32.22 C ATOM 49 CB CYS 86 -6.598 37.290 58.177 1.00 32.22 C ATOM 50 SG CYS 86 -7.357 36.515 56.718 1.00 32.22 S ATOM 51 C CYS 86 -8.743 38.143 59.020 1.00 32.22 C ATOM 52 O CYS 86 -8.970 37.595 60.096 1.00 32.22 O ATOM 53 N THR 87 -9.715 38.429 58.139 1.00 38.57 N ATOM 54 CA THR 87 -11.097 38.160 58.416 1.00 38.57 C ATOM 55 CB THR 87 -12.012 38.722 57.369 1.00 38.57 C ATOM 56 OG1 THR 87 -11.824 40.126 57.271 1.00 38.57 O ATOM 57 CG2 THR 87 -13.468 38.419 57.763 1.00 38.57 C ATOM 58 C THR 87 -11.361 36.687 58.510 1.00 38.57 C ATOM 59 O THR 87 -12.147 36.259 59.356 1.00 38.57 O ATOM 60 N GLN 88 -10.758 35.871 57.619 1.00 97.28 N ATOM 61 CA GLN 88 -11.070 34.467 57.662 1.00 97.28 C ATOM 62 CB GLN 88 -10.472 33.686 56.477 1.00 97.28 C ATOM 63 CG GLN 88 -11.176 33.920 55.139 1.00 97.28 C ATOM 64 CD GLN 88 -12.405 33.021 55.108 1.00 97.28 C ATOM 65 OE1 GLN 88 -13.246 33.063 56.006 1.00 97.28 O ATOM 66 NE2 GLN 88 -12.506 32.174 54.049 1.00 97.28 N ATOM 67 C GLN 88 -10.551 33.804 58.906 1.00 97.28 C ATOM 68 O GLN 88 -11.323 33.252 59.689 1.00 97.28 O ATOM 69 N CYS 89 -9.219 33.842 59.117 1.00 53.25 N ATOM 70 CA CYS 89 -8.613 33.194 60.249 1.00 53.25 C ATOM 71 CB CYS 89 -7.098 32.967 60.076 1.00 53.25 C ATOM 72 SG CYS 89 -6.152 34.498 59.823 1.00 53.25 S ATOM 73 C CYS 89 -8.851 33.959 61.515 1.00 53.25 C ATOM 74 O CYS 89 -9.129 33.374 62.559 1.00 53.25 O ATOM 75 N GLY 90 -8.755 35.302 61.455 1.00 20.97 N ATOM 76 CA GLY 90 -8.919 36.098 62.637 1.00 20.97 C ATOM 77 C GLY 90 -7.572 36.317 63.263 1.00 20.97 C ATOM 78 O GLY 90 -7.468 36.918 64.330 1.00 20.97 O ATOM 79 N LYS 91 -6.498 35.830 62.610 1.00 61.39 N ATOM 80 CA LYS 91 -5.176 36.001 63.139 1.00 61.39 C ATOM 81 CB LYS 91 -4.126 35.087 62.478 1.00 61.39 C ATOM 82 CG LYS 91 -2.752 35.117 63.153 1.00 61.39 C ATOM 83 CD LYS 91 -1.830 33.974 62.718 1.00 61.39 C ATOM 84 CE LYS 91 -0.453 34.002 63.389 1.00 61.39 C ATOM 85 NZ LYS 91 -0.575 33.676 64.828 1.00 61.39 N ATOM 86 C LYS 91 -4.766 37.419 62.906 1.00 61.39 C ATOM 87 O LYS 91 -5.212 38.061 61.955 1.00 61.39 O ATOM 88 N SER 92 -3.901 37.950 63.793 1.00 38.23 N ATOM 89 CA SER 92 -3.467 39.309 63.658 1.00 38.23 C ATOM 90 CB SER 92 -3.611 40.126 64.954 1.00 38.23 C ATOM 91 OG SER 92 -4.974 40.183 65.349 1.00 38.23 O ATOM 92 C SER 92 -2.017 39.291 63.281 1.00 38.23 C ATOM 93 O SER 92 -1.289 38.356 63.613 1.00 38.23 O ATOM 94 N PHE 93 -1.565 40.330 62.550 1.00 52.82 N ATOM 95 CA PHE 93 -0.204 40.364 62.096 1.00 52.82 C ATOM 96 CB PHE 93 -0.070 40.115 60.581 1.00 52.82 C ATOM 97 CG PHE 93 -0.555 38.727 60.310 1.00 52.82 C ATOM 98 CD1 PHE 93 -1.890 38.469 60.084 1.00 52.82 C ATOM 99 CD2 PHE 93 0.330 37.674 60.281 1.00 52.82 C ATOM 100 CE1 PHE 93 -2.326 37.186 59.839 1.00 52.82 C ATOM 101 CE2 PHE 93 -0.097 36.389 60.036 1.00 52.82 C ATOM 102 CZ PHE 93 -1.430 36.143 59.816 1.00 52.82 C ATOM 103 C PHE 93 0.374 41.715 62.392 1.00 52.82 C ATOM 104 O PHE 93 -0.340 42.713 62.472 1.00 52.82 O ATOM 105 N SER 94 1.710 41.760 62.576 1.00 36.98 N ATOM 106 CA SER 94 2.419 42.960 62.912 1.00 36.98 C ATOM 107 CB SER 94 3.885 42.702 63.308 1.00 36.98 C ATOM 108 OG SER 94 4.626 42.243 62.188 1.00 36.98 O ATOM 109 C SER 94 2.424 43.912 61.756 1.00 36.98 C ATOM 110 O SER 94 2.451 45.124 61.963 1.00 36.98 O ATOM 111 N GLN 95 2.417 43.406 60.505 1.00 40.43 N ATOM 112 CA GLN 95 2.472 44.338 59.414 1.00 40.43 C ATOM 113 CB GLN 95 3.837 44.380 58.708 1.00 40.43 C ATOM 114 CG GLN 95 4.954 44.942 59.592 1.00 40.43 C ATOM 115 CD GLN 95 6.248 44.936 58.791 1.00 40.43 C ATOM 116 OE1 GLN 95 6.369 45.608 57.769 1.00 40.43 O ATOM 117 NE2 GLN 95 7.246 44.149 59.276 1.00 40.43 N ATOM 118 C GLN 95 1.430 44.006 58.392 1.00 40.43 C ATOM 119 O GLN 95 1.052 42.851 58.202 1.00 40.43 O ATOM 120 N SER 96 0.948 45.056 57.697 1.00 28.02 N ATOM 121 CA SER 96 -0.084 44.953 56.705 1.00 28.02 C ATOM 122 CB SER 96 -0.513 46.326 56.157 1.00 28.02 C ATOM 123 OG SER 96 0.569 46.946 55.476 1.00 28.02 O ATOM 124 C SER 96 0.398 44.139 55.545 1.00 28.02 C ATOM 125 O SER 96 -0.372 43.383 54.955 1.00 28.02 O ATOM 126 N SER 97 1.686 44.272 55.181 1.00 66.94 N ATOM 127 CA SER 97 2.199 43.562 54.044 1.00 66.94 C ATOM 128 CB SER 97 3.669 43.901 53.745 1.00 66.94 C ATOM 129 OG SER 97 3.777 45.247 53.307 1.00 66.94 O ATOM 130 C SER 97 2.102 42.098 54.321 1.00 66.94 C ATOM 131 O SER 97 1.768 41.310 53.438 1.00 66.94 O ATOM 132 N HIS 98 2.383 41.701 55.574 1.00 37.68 N ATOM 133 CA HIS 98 2.330 40.319 55.949 1.00 37.68 C ATOM 134 ND1 HIS 98 5.173 39.433 57.338 1.00 37.68 N ATOM 135 CG HIS 98 4.168 40.298 57.704 1.00 37.68 C ATOM 136 CB HIS 98 2.720 40.067 57.412 1.00 37.68 C ATOM 137 NE2 HIS 98 6.145 41.115 58.419 1.00 37.68 N ATOM 138 CD2 HIS 98 4.779 41.321 58.363 1.00 37.68 C ATOM 139 CE1 HIS 98 6.335 39.969 57.791 1.00 37.68 C ATOM 140 C HIS 98 0.924 39.843 55.811 1.00 37.68 C ATOM 141 O HIS 98 0.679 38.727 55.358 1.00 37.68 O ATOM 142 N LEU 99 -0.047 40.685 56.207 1.00 37.23 N ATOM 143 CA LEU 99 -1.417 40.274 56.155 1.00 37.23 C ATOM 144 CB LEU 99 -2.395 41.334 56.686 0.50 37.23 C ATOM 145 CG LEU 99 -3.863 40.869 56.610 0.50 37.23 C ATOM 146 CD1 LEU 99 -4.100 39.618 57.475 0.50 37.23 C ATOM 147 CD2 LEU 99 -4.833 42.014 56.935 0.50 37.23 C ATOM 148 C LEU 99 -1.788 39.996 54.733 1.00 37.23 C ATOM 149 O LEU 99 -2.504 39.035 54.451 1.00 37.23 O ATOM 150 N SER 100 -1.311 40.832 53.793 1.00 24.92 N ATOM 151 CA SER 100 -1.669 40.647 52.416 1.00 24.92 C ATOM 152 CB SER 100 -1.032 41.693 51.483 1.00 24.92 C ATOM 153 OG SER 100 -1.524 42.989 51.794 1.00 24.92 O ATOM 154 C SER 100 -1.186 39.306 51.966 1.00 24.92 C ATOM 155 O SER 100 -1.936 38.535 51.369 1.00 24.92 O ATOM 156 N LEU 101 0.082 38.982 52.276 1.00 30.70 N ATOM 157 CA LEU 101 0.661 37.739 51.852 1.00 30.70 C ATOM 158 CB LEU 101 2.107 37.551 52.343 1.00 30.70 C ATOM 159 CG LEU 101 3.103 38.597 51.813 1.00 30.70 C ATOM 160 CD1 LEU 101 4.523 38.339 52.345 1.00 30.70 C ATOM 161 CD2 LEU 101 3.052 38.690 50.280 1.00 30.70 C ATOM 162 C LEU 101 -0.128 36.642 52.476 1.00 30.70 C ATOM 163 O LEU 101 -0.412 35.626 51.844 1.00 30.70 O ATOM 164 N HIS 102 -0.513 36.837 53.746 1.00 38.64 N ATOM 165 CA HIS 102 -1.206 35.824 54.480 1.00 38.64 C ATOM 166 ND1 HIS 102 -1.663 34.118 57.287 1.00 38.64 N ATOM 167 CG HIS 102 -2.274 35.192 56.678 1.00 38.64 C ATOM 168 CB HIS 102 -1.550 36.259 55.912 1.00 38.64 C ATOM 169 NE2 HIS 102 -3.843 33.918 57.681 1.00 38.64 N ATOM 170 CD2 HIS 102 -3.604 35.053 56.928 1.00 38.64 C ATOM 171 CE1 HIS 102 -2.648 33.389 57.871 1.00 38.64 C ATOM 172 C HIS 102 -2.495 35.493 53.803 1.00 38.64 C ATOM 173 O HIS 102 -2.823 34.317 53.654 1.00 38.64 O ATOM 174 N MET 103 -3.261 36.515 53.374 1.00 16.23 N ATOM 175 CA MET 103 -4.524 36.262 52.741 1.00 16.23 C ATOM 176 CB MET 103 -5.188 37.521 52.159 1.00 16.23 C ATOM 177 CG MET 103 -5.625 38.539 53.211 1.00 16.23 C ATOM 178 SD MET 103 -6.277 40.077 52.501 1.00 16.23 S ATOM 179 CE MET 103 -6.348 40.952 54.089 1.00 16.23 C ATOM 180 C MET 103 -4.288 35.316 51.572 1.00 16.23 C ATOM 181 O MET 103 -4.858 34.193 51.596 1.00 16.23 O ATOM 182 OXT MET 103 -3.535 35.707 50.640 1.00 16.23 O