EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:24 REMARK 6 MODELLER OBJECTIVE FUNCTION: 80.5166 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.091 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1471.12305 REMARK 6 GA341 score: 0.98638 REMARK 6 Normalized DOPE score: -1.09133 REMARK 6 TEMPLATE: 2i13A02 77:A - 98:A MODELS 1: - 22: AT 59.1% ATOM 1 N PRO 93 -9.490 30.019 54.133 1.00 58.30 N ATOM 2 CA PRO 93 -10.492 29.114 53.507 1.00 58.30 C ATOM 3 CD PRO 93 -9.109 31.098 53.158 1.00 58.30 C ATOM 4 CB PRO 93 -10.861 29.755 52.172 1.00 58.30 C ATOM 5 CG PRO 93 -9.657 30.628 51.805 1.00 58.30 C ATOM 6 C PRO 93 -9.866 27.765 53.356 1.00 58.30 C ATOM 7 O PRO 93 -10.594 26.773 53.368 1.00 58.30 O ATOM 8 N PHE 94 -8.529 27.688 53.215 1.00 45.05 N ATOM 9 CA PHE 94 -7.944 26.393 53.041 1.00 45.05 C ATOM 10 CB PHE 94 -6.869 26.358 51.944 1.00 45.05 C ATOM 11 CG PHE 94 -7.518 26.818 50.682 1.00 45.05 C ATOM 12 CD1 PHE 94 -8.275 25.966 49.911 1.00 45.05 C ATOM 13 CD2 PHE 94 -7.363 28.122 50.271 1.00 45.05 C ATOM 14 CE1 PHE 94 -8.866 26.411 48.751 1.00 45.05 C ATOM 15 CE2 PHE 94 -7.952 28.572 49.113 1.00 45.05 C ATOM 16 CZ PHE 94 -8.707 27.716 48.349 1.00 45.05 C ATOM 17 C PHE 94 -7.277 26.040 54.330 1.00 45.05 C ATOM 18 O PHE 94 -6.454 26.802 54.834 1.00 45.05 O ATOM 19 N THR 95 -7.616 24.864 54.899 1.00100.24 N ATOM 20 CA THR 95 -7.035 24.496 56.158 1.00100.24 C ATOM 21 CB THR 95 -8.040 24.299 57.255 1.00100.24 C ATOM 22 OG1 THR 95 -8.906 23.222 56.931 1.00100.24 O ATOM 23 CG2 THR 95 -8.848 25.597 57.432 1.00100.24 C ATOM 24 C THR 95 -6.295 23.206 56.000 1.00100.24 C ATOM 25 O THR 95 -6.718 22.307 55.273 1.00100.24 O ATOM 26 N CYS 96 -5.132 23.109 56.675 1.00 39.22 N ATOM 27 CA CYS 96 -4.336 21.918 56.629 1.00 39.22 C ATOM 28 CB CYS 96 -2.874 22.144 57.048 1.00 39.22 C ATOM 29 SG CYS 96 -1.876 20.626 56.984 1.00 39.22 S ATOM 30 C CYS 96 -4.943 20.923 57.567 1.00 39.22 C ATOM 31 O CYS 96 -5.312 21.246 58.695 1.00 39.22 O ATOM 32 N THR 97 -5.066 19.667 57.110 1.00107.43 N ATOM 33 CA THR 97 -5.677 18.660 57.924 1.00107.43 C ATOM 34 CB THR 97 -5.896 17.366 57.187 1.00107.43 C ATOM 35 OG1 THR 97 -6.620 16.457 58.002 1.00107.43 O ATOM 36 CG2 THR 97 -4.542 16.759 56.776 1.00107.43 C ATOM 37 C THR 97 -4.832 18.367 59.123 1.00107.43 C ATOM 38 O THR 97 -5.352 18.195 60.225 1.00107.43 O ATOM 39 N GLN 98 -3.503 18.258 58.936 1.00112.75 N ATOM 40 CA GLN 98 -2.696 17.841 60.044 1.00112.75 C ATOM 41 CB GLN 98 -1.276 17.462 59.586 1.00112.75 C ATOM 42 CG GLN 98 -1.290 16.342 58.537 1.00112.75 C ATOM 43 CD GLN 98 0.136 16.033 58.109 1.00112.75 C ATOM 44 OE1 GLN 98 0.980 15.677 58.930 1.00112.75 O ATOM 45 NE2 GLN 98 0.415 16.164 56.783 1.00112.75 N ATOM 46 C GLN 98 -2.599 18.883 61.126 1.00112.75 C ATOM 47 O GLN 98 -2.989 18.629 62.266 1.00112.75 O ATOM 48 N CYS 99 -2.074 20.080 60.783 1.00 61.84 N ATOM 49 CA CYS 99 -1.851 21.157 61.716 1.00 61.84 C ATOM 50 CB CYS 99 -0.843 22.190 61.188 1.00 61.84 C ATOM 51 SG CYS 99 -1.328 22.883 59.584 1.00 61.84 S ATOM 52 C CYS 99 -3.110 21.883 62.077 1.00 61.84 C ATOM 53 O CYS 99 -3.340 22.197 63.244 1.00 61.84 O ATOM 54 N GLY 100 -3.971 22.171 61.081 1.00 29.57 N ATOM 55 CA GLY 100 -5.162 22.923 61.354 1.00 29.57 C ATOM 56 C GLY 100 -4.923 24.366 61.003 1.00 29.57 C ATOM 57 O GLY 100 -5.809 25.203 61.169 1.00 29.57 O ATOM 58 N LYS 101 -3.713 24.704 60.511 1.00 56.59 N ATOM 59 CA LYS 101 -3.438 26.068 60.148 1.00 56.59 C ATOM 60 CB LYS 101 -1.945 26.371 59.920 1.00 56.59 C ATOM 61 CG LYS 101 -1.645 27.859 59.711 1.00 56.59 C ATOM 62 CD LYS 101 -0.158 28.203 59.819 1.00 56.59 C ATOM 63 CE LYS 101 0.143 29.689 59.606 1.00 56.59 C ATOM 64 NZ LYS 101 1.573 29.957 59.878 1.00 56.59 N ATOM 65 C LYS 101 -4.181 26.381 58.885 1.00 56.59 C ATOM 66 O LYS 101 -4.345 25.524 58.017 1.00 56.59 O ATOM 67 N SER 102 -4.641 27.644 58.750 1.00 90.33 N ATOM 68 CA SER 102 -5.434 28.003 57.609 1.00 90.33 C ATOM 69 CB SER 102 -6.769 28.646 58.010 1.00 90.33 C ATOM 70 OG SER 102 -7.558 28.886 56.857 1.00 90.33 O ATOM 71 C SER 102 -4.675 28.987 56.764 1.00 90.33 C ATOM 72 O SER 102 -3.857 29.754 57.270 1.00 90.33 O ATOM 73 N PHE 103 -4.929 28.970 55.435 1.00145.84 N ATOM 74 CA PHE 103 -4.214 29.823 54.523 1.00145.84 C ATOM 75 CB PHE 103 -3.231 29.048 53.631 1.00145.84 C ATOM 76 CG PHE 103 -2.164 28.452 54.488 1.00145.84 C ATOM 77 CD1 PHE 103 -2.342 27.221 55.079 1.00145.84 C ATOM 78 CD2 PHE 103 -0.988 29.132 54.704 1.00145.84 C ATOM 79 CE1 PHE 103 -1.355 26.674 55.865 1.00145.84 C ATOM 80 CE2 PHE 103 0.003 28.590 55.488 1.00145.84 C ATOM 81 CZ PHE 103 -0.182 27.360 56.068 1.00145.84 C ATOM 82 C PHE 103 -5.184 30.488 53.592 1.00145.84 C ATOM 83 O PHE 103 -6.263 29.973 53.305 1.00145.84 O ATOM 84 N SER 104 -4.814 31.690 53.111 1.00 75.83 N ATOM 85 CA SER 104 -5.625 32.426 52.186 1.00 75.83 C ATOM 86 CB SER 104 -5.161 33.878 51.999 1.00 75.83 C ATOM 87 OG SER 104 -6.006 34.532 51.066 1.00 75.83 O ATOM 88 C SER 104 -5.563 31.778 50.840 1.00 75.83 C ATOM 89 O SER 104 -6.537 31.807 50.087 1.00 75.83 O ATOM 90 N HIS 105 -4.413 31.163 50.497 1.00 74.46 N ATOM 91 CA HIS 105 -4.312 30.668 49.157 1.00 74.46 C ATOM 92 ND1 HIS 105 -2.711 30.183 46.168 1.00 74.46 N ATOM 93 CG HIS 105 -3.361 31.176 46.865 1.00 74.46 C ATOM 94 CB HIS 105 -3.236 31.404 48.339 1.00 74.46 C ATOM 95 NE2 HIS 105 -3.960 31.278 44.693 1.00 74.46 N ATOM 96 CD2 HIS 105 -4.117 31.837 45.948 1.00 74.46 C ATOM 97 CE1 HIS 105 -3.105 30.287 44.876 1.00 74.46 C ATOM 98 C HIS 105 -3.979 29.212 49.169 1.00 74.46 C ATOM 99 O HIS 105 -3.295 28.717 50.065 1.00 74.46 O ATOM 100 N SER 106 -4.479 28.493 48.143 1.00 65.37 N ATOM 101 CA SER 106 -4.293 27.078 47.997 1.00 65.37 C ATOM 102 CB SER 106 -5.050 26.497 46.785 1.00 65.37 C ATOM 103 OG SER 106 -4.826 25.097 46.680 1.00 65.37 O ATOM 104 C SER 106 -2.834 26.790 47.795 1.00 65.37 C ATOM 105 O SER 106 -2.322 25.788 48.290 1.00 65.37 O ATOM 106 N ALA 107 -2.117 27.673 47.071 1.00 25.05 N ATOM 107 CA ALA 107 -0.730 27.453 46.766 1.00 25.05 C ATOM 108 CB ALA 107 -0.116 28.585 45.925 1.00 25.05 C ATOM 109 C ALA 107 0.043 27.397 48.039 1.00 25.05 C ATOM 110 O ALA 107 0.931 26.560 48.194 1.00 25.05 O ATOM 111 N ASN 108 -0.275 28.297 48.985 1.00 32.37 N ATOM 112 CA ASN 108 0.439 28.343 50.225 1.00 32.37 C ATOM 113 CB ASN 108 -0.025 29.489 51.138 1.00 32.37 C ATOM 114 CG ASN 108 0.418 30.796 50.504 1.00 32.37 C ATOM 115 OD1 ASN 108 1.565 30.937 50.084 1.00 32.37 O ATOM 116 ND2 ASN 108 -0.518 31.781 50.424 1.00 32.37 N ATOM 117 C ASN 108 0.202 27.069 50.971 1.00 32.37 C ATOM 118 O ASN 108 1.129 26.493 51.537 1.00 32.37 O ATOM 119 N LEU 109 -1.055 26.592 50.976 1.00105.23 N ATOM 120 CA LEU 109 -1.410 25.413 51.712 1.00105.23 C ATOM 121 CB LEU 109 -2.920 25.112 51.626 1.00105.23 C ATOM 122 CG LEU 109 -3.389 23.862 52.403 1.00105.23 C ATOM 123 CD1 LEU 109 -2.997 22.551 51.703 1.00105.23 C ATOM 124 CD2 LEU 109 -2.916 23.907 53.863 1.00105.23 C ATOM 125 C LEU 109 -0.651 24.251 51.155 1.00105.23 C ATOM 126 O LEU 109 -0.145 23.412 51.899 1.00105.23 O ATOM 127 N ASN 110 -0.531 24.180 49.816 1.00 67.54 N ATOM 128 CA ASN 110 0.130 23.072 49.187 1.00 67.54 C ATOM 129 CB ASN 110 0.129 23.173 47.650 1.00 67.54 C ATOM 130 CG ASN 110 0.636 21.854 47.085 1.00 67.54 C ATOM 131 OD1 ASN 110 1.828 21.555 47.131 1.00 67.54 O ATOM 132 ND2 ASN 110 -0.302 21.029 46.548 1.00 67.54 N ATOM 133 C ASN 110 1.560 23.011 49.628 1.00 67.54 C ATOM 134 O ASN 110 2.070 21.935 49.939 1.00 67.54 O ATOM 135 N GLN 111 2.249 24.165 49.673 1.00101.78 N ATOM 136 CA GLN 111 3.634 24.174 50.053 1.00101.78 C ATOM 137 CB GLN 111 4.264 25.575 49.994 1.00101.78 C ATOM 138 CG GLN 111 4.487 26.109 48.577 1.00101.78 C ATOM 139 CD GLN 111 5.761 25.489 48.019 1.00101.78 C ATOM 140 OE1 GLN 111 6.235 24.459 48.499 1.00101.78 O ATOM 141 NE2 GLN 111 6.343 26.143 46.980 1.00101.78 N ATOM 142 C GLN 111 3.736 23.719 51.469 1.00101.78 C ATOM 143 O GLN 111 4.610 22.928 51.822 1.00101.78 O ATOM 144 N HIS 112 2.806 24.200 52.309 1.00 45.89 N ATOM 145 CA HIS 112 2.812 23.921 53.711 1.00 45.89 C ATOM 146 ND1 HIS 112 2.648 25.056 56.739 1.00 45.89 N ATOM 147 CG HIS 112 1.700 24.475 55.924 1.00 45.89 C ATOM 148 CB HIS 112 1.664 24.641 54.437 1.00 45.89 C ATOM 149 NE2 HIS 112 1.280 23.906 58.066 1.00 45.89 N ATOM 150 CD2 HIS 112 0.874 23.777 56.749 1.00 45.89 C ATOM 151 CE1 HIS 112 2.349 24.683 58.008 1.00 45.89 C ATOM 152 C HIS 112 2.657 22.448 53.915 1.00 45.89 C ATOM 153 O HIS 112 3.307 21.861 54.779 1.00 45.89 O ATOM 154 N MET 113 1.804 21.801 53.103 1.00 99.38 N ATOM 155 CA MET 113 1.565 20.403 53.300 1.00 99.38 C ATOM 156 CB MET 113 0.609 19.802 52.256 1.00 99.38 C ATOM 157 CG MET 113 0.279 18.329 52.507 1.00 99.38 C ATOM 158 SD MET 113 -0.780 17.581 51.235 1.00 99.38 S ATOM 159 CE MET 113 -2.052 18.873 51.346 1.00 99.38 C ATOM 160 C MET 113 2.861 19.676 53.157 1.00 99.38 C ATOM 161 O MET 113 3.172 18.806 53.969 1.00 99.38 O ATOM 162 N ARG 114 3.657 20.013 52.120 1.00 70.53 N ATOM 163 CA ARG 114 4.912 19.339 51.963 1.00 70.53 C ATOM 164 CB ARG 114 5.769 19.835 50.780 1.00 70.53 C ATOM 165 CG ARG 114 5.454 19.137 49.454 1.00 70.53 C ATOM 166 CD ARG 114 6.319 19.608 48.282 1.00 70.53 C ATOM 167 NE ARG 114 6.191 18.602 47.188 1.00 70.53 N ATOM 168 CZ ARG 114 5.133 18.635 46.324 1.00 70.53 C ATOM 169 NH1 ARG 114 4.154 19.574 46.481 1.00 70.53 N ATOM 170 NH2 ARG 114 5.052 17.724 45.312 1.00 70.53 N ATOM 171 C ARG 114 5.709 19.547 53.240 1.00 70.53 C ATOM 172 O ARG 114 6.294 18.547 53.736 1.00 70.53 O ATOM 173 OXT ARG 114 5.734 20.703 53.743 1.00 70.53 O