EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:04 REMARK 6 MODELLER OBJECTIVE FUNCTION: 147.5709 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 44.444 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1558.01465 REMARK 6 GA341 score: 0.90853 REMARK 6 Normalized DOPE score: -0.11055 REMARK 6 TEMPLATE: 2em6A01 13:A - 39:A MODELS 1: - 27: AT 44.4% ATOM 1 N PHE 57 1.161 -14.897 5.649 1.00 54.68 N ATOM 2 CA PHE 57 1.759 -13.557 5.438 1.00 54.68 C ATOM 3 CB PHE 57 0.730 -12.437 5.645 1.00 54.68 C ATOM 4 CG PHE 57 -0.339 -12.576 4.626 1.00 54.68 C ATOM 5 CD1 PHE 57 -0.148 -12.103 3.351 1.00 54.68 C ATOM 6 CD2 PHE 57 -1.536 -13.164 4.967 1.00 54.68 C ATOM 7 CE1 PHE 57 -1.148 -12.238 2.418 1.00 54.68 C ATOM 8 CE2 PHE 57 -2.542 -13.304 4.043 1.00 54.68 C ATOM 9 CZ PHE 57 -2.335 -12.839 2.769 1.00 54.68 C ATOM 10 C PHE 57 2.791 -13.360 6.485 1.00 54.68 C ATOM 11 O PHE 57 2.679 -13.893 7.585 1.00 54.68 O ATOM 12 N THR 58 3.830 -12.573 6.172 1.00 39.77 N ATOM 13 CA THR 58 4.850 -12.368 7.150 1.00 39.77 C ATOM 14 CB THR 58 6.209 -12.762 6.661 1.00 39.77 C ATOM 15 OG1 THR 58 6.182 -14.115 6.229 1.00 39.77 O ATOM 16 CG2 THR 58 7.204 -12.623 7.825 1.00 39.77 C ATOM 17 C THR 58 4.873 -10.914 7.480 1.00 39.77 C ATOM 18 O THR 58 4.537 -10.066 6.653 1.00 39.77 O ATOM 19 N CYS 59 5.251 -10.603 8.731 1.00 49.85 N ATOM 20 CA CYS 59 5.313 -9.241 9.181 1.00 49.85 C ATOM 21 CB CYS 59 4.976 -9.108 10.681 1.00 49.85 C ATOM 22 SG CYS 59 5.076 -7.408 11.326 1.00 49.85 S ATOM 23 C CYS 59 6.719 -8.752 8.985 1.00 49.85 C ATOM 24 O CYS 59 7.668 -9.376 9.452 1.00 49.85 O ATOM 25 N THR 60 6.891 -7.618 8.274 1.00111.82 N ATOM 26 CA THR 60 8.215 -7.130 8.003 1.00111.82 C ATOM 27 CB THR 60 8.274 -6.020 6.979 1.00111.82 C ATOM 28 OG1 THR 60 9.620 -5.781 6.582 1.00111.82 O ATOM 29 CG2 THR 60 7.674 -4.748 7.599 1.00111.82 C ATOM 30 C THR 60 8.891 -6.645 9.256 1.00111.82 C ATOM 31 O THR 60 10.083 -6.883 9.428 1.00111.82 O ATOM 32 N GLN 61 8.178 -5.923 10.152 1.00146.84 N ATOM 33 CA GLN 61 8.836 -5.356 11.308 1.00146.84 C ATOM 34 CB GLN 61 7.926 -4.390 12.100 1.00146.84 C ATOM 35 CG GLN 61 8.585 -3.785 13.347 1.00146.84 C ATOM 36 CD GLN 61 9.126 -2.405 13.020 1.00146.84 C ATOM 37 OE1 GLN 61 9.991 -2.236 12.162 1.00146.84 O ATOM 38 NE2 GLN 61 8.608 -1.376 13.741 1.00146.84 N ATOM 39 C GLN 61 9.307 -6.374 12.311 1.00146.84 C ATOM 40 O GLN 61 10.495 -6.452 12.627 1.00146.84 O ATOM 41 N CYS 62 8.356 -7.167 12.841 1.00111.82 N ATOM 42 CA CYS 62 8.560 -8.130 13.892 1.00111.82 C ATOM 43 CB CYS 62 7.210 -8.569 14.487 1.00111.82 C ATOM 44 SG CYS 62 7.363 -9.861 15.747 1.00111.82 S ATOM 45 C CYS 62 9.278 -9.358 13.431 1.00111.82 C ATOM 46 O CYS 62 10.259 -9.778 14.043 1.00111.82 O ATOM 47 N GLY 63 8.848 -9.929 12.287 1.00 44.01 N ATOM 48 CA GLY 63 9.409 -11.176 11.848 1.00 44.01 C ATOM 49 C GLY 63 8.506 -12.324 12.221 1.00 44.01 C ATOM 50 O GLY 63 8.990 -13.421 12.498 1.00 44.01 O ATOM 51 N LYS 64 7.170 -12.110 12.245 1.00 66.49 N ATOM 52 CA LYS 64 6.248 -13.170 12.577 1.00 66.49 C ATOM 53 CB LYS 64 5.111 -12.727 13.515 1.00 66.49 C ATOM 54 CG LYS 64 4.267 -13.882 14.066 1.00 66.49 C ATOM 55 CD LYS 64 3.340 -13.482 15.221 1.00 66.49 C ATOM 56 CE LYS 64 2.694 -14.671 15.938 1.00 66.49 C ATOM 57 NZ LYS 64 1.817 -14.198 17.034 1.00 66.49 N ATOM 58 C LYS 64 5.637 -13.701 11.305 1.00 66.49 C ATOM 59 O LYS 64 5.858 -13.148 10.229 1.00 66.49 O ATOM 60 N SER 65 4.888 -14.831 11.398 1.00 90.23 N ATOM 61 CA SER 65 4.298 -15.456 10.240 1.00 90.23 C ATOM 62 CB SER 65 5.077 -16.700 9.774 1.00 90.23 C ATOM 63 OG SER 65 4.401 -17.323 8.692 1.00 90.23 O ATOM 64 C SER 65 2.919 -15.936 10.596 1.00 90.23 C ATOM 65 O SER 65 2.708 -16.510 11.664 1.00 90.23 O ATOM 66 N PHE 66 1.954 -15.750 9.666 1.00124.54 N ATOM 67 CA PHE 66 0.584 -16.099 9.908 1.00124.54 C ATOM 68 CB PHE 66 -0.341 -14.870 9.991 1.00124.54 C ATOM 69 CG PHE 66 0.106 -14.077 11.178 1.00124.54 C ATOM 70 CD1 PHE 66 1.171 -13.212 11.055 1.00124.54 C ATOM 71 CD2 PHE 66 -0.527 -14.197 12.398 1.00124.54 C ATOM 72 CE1 PHE 66 1.600 -12.471 12.130 1.00124.54 C ATOM 73 CE2 PHE 66 -0.103 -13.458 13.479 1.00124.54 C ATOM 74 CZ PHE 66 0.955 -12.590 13.339 1.00124.54 C ATOM 75 C PHE 66 0.160 -17.003 8.796 1.00124.54 C ATOM 76 O PHE 66 0.754 -18.053 8.612 1.00124.54 O ATOM 77 N GLY 67 -0.823 -16.624 7.967 1.00204.22 N ATOM 78 CA GLY 67 -1.339 -17.562 7.009 1.00204.22 C ATOM 79 C GLY 67 -2.789 -17.263 6.951 1.00204.22 C ATOM 80 O GLY 67 -3.444 -17.494 5.935 1.00204.22 O ATOM 81 N GLY 68 -3.324 -16.738 8.065 1.00 65.14 N ATOM 82 CA GLY 68 -4.639 -16.195 8.025 1.00 65.14 C ATOM 83 C GLY 68 -4.342 -14.739 7.866 1.00 65.14 C ATOM 84 O GLY 68 -3.643 -14.143 8.681 1.00 65.14 O ATOM 85 N ASN 69 -4.878 -14.128 6.800 1.00 96.59 N ATOM 86 CA ASN 69 -4.576 -12.773 6.456 1.00 96.59 C ATOM 87 CB ASN 69 -5.309 -12.380 5.165 1.00 96.59 C ATOM 88 CG ASN 69 -6.788 -12.662 5.410 1.00 96.59 C ATOM 89 OD1 ASN 69 -7.537 -11.794 5.857 1.00 96.59 O ATOM 90 ND2 ASN 69 -7.222 -13.920 5.127 1.00 96.59 N ATOM 91 C ASN 69 -4.980 -11.865 7.575 1.00 96.59 C ATOM 92 O ASN 69 -4.222 -10.976 7.961 1.00 96.59 O ATOM 93 N GLY 70 -6.170 -12.099 8.159 1.00 20.28 N ATOM 94 CA GLY 70 -6.649 -11.238 9.201 1.00 20.28 C ATOM 95 C GLY 70 -5.710 -11.288 10.362 1.00 20.28 C ATOM 96 O GLY 70 -5.398 -10.260 10.959 1.00 20.28 O ATOM 97 N ASN 71 -5.208 -12.491 10.690 1.00 62.18 N ATOM 98 CA ASN 71 -4.382 -12.645 11.845 1.00 62.18 C ATOM 99 CB ASN 71 -3.910 -14.098 12.018 1.00 62.18 C ATOM 100 CG ASN 71 -5.054 -14.848 12.696 1.00 62.18 C ATOM 101 OD1 ASN 71 -5.777 -15.635 12.086 1.00 62.18 O ATOM 102 ND2 ASN 71 -5.237 -14.568 14.013 1.00 62.18 N ATOM 103 C ASN 71 -3.208 -11.722 11.733 1.00 62.18 C ATOM 104 O ASN 71 -2.879 -11.034 12.699 1.00 62.18 O ATOM 105 N LEU 72 -2.561 -11.648 10.553 1.00 59.00 N ATOM 106 CA LEU 72 -1.441 -10.758 10.386 1.00 59.00 C ATOM 107 CB LEU 72 -0.851 -10.817 8.968 1.00 59.00 C ATOM 108 CG LEU 72 0.253 -9.773 8.708 1.00 59.00 C ATOM 109 CD1 LEU 72 1.487 -10.028 9.587 1.00 59.00 C ATOM 110 CD2 LEU 72 0.582 -9.669 7.208 1.00 59.00 C ATOM 111 C LEU 72 -1.898 -9.347 10.578 1.00 59.00 C ATOM 112 O LEU 72 -1.275 -8.565 11.296 1.00 59.00 O ATOM 113 N LYS 73 -3.036 -8.991 9.968 1.00110.69 N ATOM 114 CA LYS 73 -3.458 -7.627 10.037 1.00110.69 C ATOM 115 CB LYS 73 -4.718 -7.370 9.196 1.00110.69 C ATOM 116 CG LYS 73 -4.903 -5.899 8.824 1.00110.69 C ATOM 117 CD LYS 73 -5.869 -5.657 7.656 1.00110.69 C ATOM 118 CE LYS 73 -5.272 -5.938 6.272 1.00110.69 C ATOM 119 NZ LYS 73 -5.882 -7.153 5.688 1.00110.69 N ATOM 120 C LYS 73 -3.695 -7.271 11.474 1.00110.69 C ATOM 121 O LYS 73 -3.421 -6.145 11.889 1.00110.69 O ATOM 122 N ILE 74 -4.204 -8.223 12.276 1.00 87.35 N ATOM 123 CA ILE 74 -4.461 -7.979 13.670 1.00 87.35 C ATOM 124 CB ILE 74 -5.045 -9.194 14.335 1.00 87.35 C ATOM 125 CG1 ILE 74 -6.454 -9.500 13.801 1.00 87.35 C ATOM 126 CG2 ILE 74 -4.965 -9.003 15.859 1.00 87.35 C ATOM 127 CD1 ILE 74 -7.484 -8.428 14.148 1.00 87.35 C ATOM 128 C ILE 74 -3.172 -7.686 14.386 1.00 87.35 C ATOM 129 O ILE 74 -3.081 -6.730 15.154 1.00 87.35 O ATOM 130 N HIS 75 -2.135 -8.503 14.140 1.00 75.14 N ATOM 131 CA HIS 75 -0.869 -8.396 14.816 1.00 75.14 C ATOM 132 ND1 HIS 75 2.046 -9.599 16.024 1.00 75.14 N ATOM 133 CG HIS 75 1.527 -9.307 14.783 1.00 75.14 C ATOM 134 CB HIS 75 0.098 -9.504 14.368 1.00 75.14 C ATOM 135 NE2 HIS 75 3.733 -8.830 14.795 1.00 75.14 N ATOM 136 CD2 HIS 75 2.573 -8.838 14.046 1.00 75.14 C ATOM 137 CE1 HIS 75 3.368 -9.296 15.977 1.00 75.14 C ATOM 138 C HIS 75 -0.205 -7.093 14.520 1.00 75.14 C ATOM 139 O HIS 75 0.303 -6.422 15.417 1.00 75.14 O ATOM 140 N MET 76 -0.262 -6.666 13.252 1.00169.30 N ATOM 141 CA MET 76 0.473 -5.523 12.811 1.00169.30 C ATOM 142 CB MET 76 0.229 -5.181 11.335 1.00169.30 C ATOM 143 CG MET 76 1.126 -4.029 10.884 1.00169.30 C ATOM 144 SD MET 76 1.383 -3.870 9.093 1.00169.30 S ATOM 145 CE MET 76 2.754 -2.695 9.285 1.00169.30 C ATOM 146 C MET 76 0.067 -4.337 13.614 1.00169.30 C ATOM 147 O MET 76 0.879 -3.453 13.878 1.00169.30 O ATOM 148 N MET 77 -1.198 -4.294 14.050 1.00 81.02 N ATOM 149 CA MET 77 -1.703 -3.151 14.747 1.00 81.02 C ATOM 150 CB MET 77 -3.193 -3.294 15.114 1.00 81.02 C ATOM 151 CG MET 77 -4.052 -3.411 13.849 1.00 81.02 C ATOM 152 SD MET 77 -5.858 -3.384 14.039 1.00 81.02 S ATOM 153 CE MET 77 -6.108 -3.441 12.238 1.00 81.02 C ATOM 154 C MET 77 -0.897 -2.919 15.987 1.00 81.02 C ATOM 155 O MET 77 -0.684 -1.776 16.380 1.00 81.02 O ATOM 156 N ILE 78 -0.398 -3.989 16.631 1.00167.10 N ATOM 157 CA ILE 78 0.339 -3.817 17.851 1.00167.10 C ATOM 158 CB ILE 78 0.910 -5.100 18.367 1.00167.10 C ATOM 159 CG1 ILE 78 -0.225 -6.079 18.691 1.00167.10 C ATOM 160 CG2 ILE 78 1.811 -4.770 19.568 1.00167.10 C ATOM 161 CD1 ILE 78 -1.188 -5.563 19.754 1.00167.10 C ATOM 162 C ILE 78 1.503 -2.927 17.581 1.00167.10 C ATOM 163 O ILE 78 1.791 -2.010 18.349 1.00167.10 O ATOM 164 N HIS 79 2.209 -3.170 16.471 1.00 72.89 N ATOM 165 CA HIS 79 3.374 -2.394 16.192 1.00 72.89 C ATOM 166 ND1 HIS 79 5.921 -4.514 16.123 1.00 72.89 N ATOM 167 CG HIS 79 4.721 -4.329 15.476 1.00 72.89 C ATOM 168 CB HIS 79 4.187 -2.996 15.045 1.00 72.89 C ATOM 169 NE2 HIS 79 4.998 -6.524 15.916 1.00 72.89 N ATOM 170 CD2 HIS 79 4.168 -5.568 15.359 1.00 72.89 C ATOM 171 CE1 HIS 79 6.039 -5.846 16.363 1.00 72.89 C ATOM 172 C HIS 79 3.026 -0.970 15.905 1.00 72.89 C ATOM 173 O HIS 79 3.681 -0.069 16.429 1.00 72.89 O ATOM 174 N THR 80 1.986 -0.697 15.087 1.00142.95 N ATOM 175 CA THR 80 1.748 0.698 14.818 1.00142.95 C ATOM 176 CB THR 80 1.889 1.054 13.355 1.00142.95 C ATOM 177 OG1 THR 80 0.943 0.345 12.567 1.00142.95 O ATOM 178 CG2 THR 80 3.324 0.730 12.891 1.00142.95 C ATOM 179 C THR 80 0.382 1.121 15.283 1.00142.95 C ATOM 180 O THR 80 -0.595 0.984 14.549 1.00142.95 O ATOM 181 N GLY 81 0.276 1.584 16.553 1.00 65.71 N ATOM 182 CA GLY 81 -0.956 2.101 17.090 1.00 65.71 C ATOM 183 C GLY 81 -1.291 3.505 16.664 1.00 65.71 C ATOM 184 O GLY 81 -2.367 3.753 16.122 1.00 65.71 O ATOM 185 N GLU 82 -0.363 4.466 16.876 1.00 97.75 N ATOM 186 CA GLU 82 -0.719 5.852 16.695 1.00 97.75 C ATOM 187 CB GLU 82 0.389 6.829 17.111 1.00 97.75 C ATOM 188 CG GLU 82 -0.083 8.285 17.141 1.00 97.75 C ATOM 189 CD GLU 82 1.102 9.149 17.537 1.00 97.75 C ATOM 190 OE1 GLU 82 2.233 8.816 17.085 1.00 97.75 O ATOM 191 OE2 GLU 82 0.901 10.141 18.283 1.00 97.75 O ATOM 192 C GLU 82 -1.004 6.146 15.268 1.00 97.75 C ATOM 193 O GLU 82 -2.063 6.674 14.929 1.00 97.75 O ATOM 194 N LYS 83 -0.060 5.787 14.382 1.00 72.25 N ATOM 195 CA LYS 83 -0.253 6.061 12.990 1.00 72.25 C ATOM 196 CB LYS 83 1.048 6.408 12.237 1.00 72.25 C ATOM 197 CG LYS 83 1.727 7.702 12.703 1.00 72.25 C ATOM 198 CD LYS 83 0.890 8.968 12.512 1.00 72.25 C ATOM 199 CE LYS 83 1.539 10.227 13.092 1.00 72.25 C ATOM 200 NZ LYS 83 0.683 11.406 12.830 1.00 72.25 N ATOM 201 C LYS 83 -0.786 4.765 12.398 1.00 72.25 C ATOM 202 O LYS 83 -1.827 4.273 12.904 1.00 72.25 O ATOM 203 OXT LYS 83 -0.161 4.242 11.433 1.00 72.25 O