EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 105.9304 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1519.35925 REMARK 6 GA341 score: 0.97045 REMARK 6 Normalized DOPE score: -0.24058 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 102 -19.931 42.836 53.818 1.00 62.09 N ATOM 2 CA GLU 102 -20.664 42.530 55.067 1.00 62.09 C ATOM 3 CB GLU 102 -21.038 41.043 55.137 1.00 62.09 C ATOM 4 CG GLU 102 -19.799 40.148 55.177 1.00 62.09 C ATOM 5 CD GLU 102 -20.205 38.743 55.597 1.00 62.09 C ATOM 6 OE1 GLU 102 -21.146 38.610 56.418 1.00 62.09 O ATOM 7 OE2 GLU 102 -19.558 37.775 55.108 1.00 62.09 O ATOM 8 C GLU 102 -19.779 42.802 56.236 1.00 62.09 C ATOM 9 O GLU 102 -18.859 43.615 56.157 1.00 62.09 O ATOM 10 N LYS 103 -20.064 42.133 57.370 1.00 96.01 N ATOM 11 CA LYS 103 -19.236 42.292 58.532 1.00 96.01 C ATOM 12 CB LYS 103 -20.028 42.647 59.810 1.00 96.01 C ATOM 13 CG LYS 103 -20.516 44.095 59.873 1.00 96.01 C ATOM 14 CD LYS 103 -21.498 44.479 58.764 1.00 96.01 C ATOM 15 CE LYS 103 -21.884 45.962 58.784 1.00 96.01 C ATOM 16 NZ LYS 103 -22.705 46.276 57.591 1.00 96.01 N ATOM 17 C LYS 103 -18.584 40.969 58.795 1.00 96.01 C ATOM 18 O LYS 103 -19.228 40.037 59.280 1.00 96.01 O ATOM 19 N PRO 104 -17.321 40.867 58.480 1.00118.74 N ATOM 20 CA PRO 104 -16.575 39.650 58.673 1.00118.74 C ATOM 21 CD PRO 104 -16.727 41.712 57.457 1.00118.74 C ATOM 22 CB PRO 104 -15.308 39.790 57.821 1.00118.74 C ATOM 23 CG PRO 104 -15.253 41.277 57.425 1.00118.74 C ATOM 24 C PRO 104 -16.257 39.316 60.098 1.00118.74 C ATOM 25 O PRO 104 -15.962 38.156 60.387 1.00118.74 O ATOM 26 N TYR 105 -16.293 40.300 61.014 1.00120.45 N ATOM 27 CA TYR 105 -15.819 39.967 62.325 1.00120.45 C ATOM 28 CB TYR 105 -14.661 40.869 62.767 1.00120.45 C ATOM 29 CG TYR 105 -13.606 40.590 61.756 1.00120.45 C ATOM 30 CD1 TYR 105 -13.557 41.305 60.580 1.00120.45 C ATOM 31 CD2 TYR 105 -12.679 39.599 61.977 1.00120.45 C ATOM 32 CE1 TYR 105 -12.589 41.039 59.639 1.00120.45 C ATOM 33 CE2 TYR 105 -11.710 39.329 61.041 1.00120.45 C ATOM 34 CZ TYR 105 -11.662 40.051 59.872 1.00120.45 C ATOM 35 OH TYR 105 -10.666 39.773 58.913 1.00120.45 O ATOM 36 C TYR 105 -16.937 40.058 63.306 1.00120.45 C ATOM 37 O TYR 105 -17.606 41.078 63.433 1.00120.45 O ATOM 38 N THR 106 -17.151 38.959 64.055 1.00114.00 N ATOM 39 CA THR 106 -18.268 38.917 64.947 1.00114.00 C ATOM 40 CB THR 106 -19.190 37.774 64.668 1.00114.00 C ATOM 41 OG1 THR 106 -20.323 37.821 65.525 1.00114.00 O ATOM 42 CG2 THR 106 -18.395 36.474 64.880 1.00114.00 C ATOM 43 C THR 106 -17.798 38.740 66.349 1.00114.00 C ATOM 44 O THR 106 -16.767 38.121 66.605 1.00114.00 O ATOM 45 N CYS 107 -18.573 39.316 67.292 1.00 51.85 N ATOM 46 CA CYS 107 -18.293 39.165 68.687 1.00 51.85 C ATOM 47 CB CYS 107 -19.138 40.086 69.598 1.00 51.85 C ATOM 48 SG CYS 107 -18.745 39.922 71.370 1.00 51.85 S ATOM 49 C CYS 107 -18.652 37.757 69.009 1.00 51.85 C ATOM 50 O CYS 107 -19.761 37.290 68.747 1.00 51.85 O ATOM 51 N LYS 108 -17.706 37.029 69.607 1.00126.02 N ATOM 52 CA LYS 108 -17.987 35.663 69.882 1.00126.02 C ATOM 53 CB LYS 108 -16.783 34.964 70.512 1.00126.02 C ATOM 54 CG LYS 108 -17.055 33.502 70.817 1.00126.02 C ATOM 55 CD LYS 108 -17.239 32.639 69.576 1.00126.02 C ATOM 56 CE LYS 108 -17.889 31.302 69.921 1.00126.02 C ATOM 57 NZ LYS 108 -17.623 30.325 68.846 1.00126.02 N ATOM 58 C LYS 108 -19.137 35.578 70.831 1.00126.02 C ATOM 59 O LYS 108 -20.010 34.721 70.685 1.00126.02 O ATOM 60 N GLN 109 -19.150 36.449 71.854 1.00122.61 N ATOM 61 CA GLN 109 -20.164 36.274 72.847 1.00122.61 C ATOM 62 CB GLN 109 -19.787 37.021 74.139 1.00122.61 C ATOM 63 CG GLN 109 -18.432 36.525 74.672 1.00122.61 C ATOM 64 CD GLN 109 -18.022 37.379 75.857 1.00122.61 C ATOM 65 OE1 GLN 109 -18.636 38.412 76.115 1.00122.61 O ATOM 66 NE2 GLN 109 -16.962 36.947 76.592 1.00122.61 N ATOM 67 C GLN 109 -21.552 36.667 72.393 1.00122.61 C ATOM 68 O GLN 109 -22.476 35.852 72.425 1.00122.61 O ATOM 69 N CYS 110 -21.731 37.939 71.966 1.00 63.38 N ATOM 70 CA CYS 110 -23.020 38.480 71.600 1.00 63.38 C ATOM 71 CB CYS 110 -23.107 40.015 71.720 1.00 63.38 C ATOM 72 SG CYS 110 -21.907 40.915 70.694 1.00 63.38 S ATOM 73 C CYS 110 -23.479 38.064 70.234 1.00 63.38 C ATOM 74 O CYS 110 -24.671 37.838 70.023 1.00 63.38 O ATOM 75 N GLY 111 -22.558 37.971 69.253 1.00 28.62 N ATOM 76 CA GLY 111 -22.959 37.559 67.933 1.00 28.62 C ATOM 77 C GLY 111 -23.111 38.744 67.021 1.00 28.62 C ATOM 78 O GLY 111 -23.473 38.588 65.855 1.00 28.62 O ATOM 79 N LYS 112 -22.843 39.968 67.517 1.00 64.55 N ATOM 80 CA LYS 112 -22.968 41.129 66.674 1.00 64.55 C ATOM 81 CB LYS 112 -23.031 42.438 67.480 1.00 64.55 C ATOM 82 CG LYS 112 -23.389 43.681 66.665 1.00 64.55 C ATOM 83 CD LYS 112 -23.841 44.843 67.557 1.00 64.55 C ATOM 84 CE LYS 112 -24.162 46.146 66.818 1.00 64.55 C ATOM 85 NZ LYS 112 -24.806 47.104 67.751 1.00 64.55 N ATOM 86 C LYS 112 -21.780 41.170 65.751 1.00 64.55 C ATOM 87 O LYS 112 -20.669 40.834 66.160 1.00 64.55 O ATOM 88 N SER 113 -21.974 41.591 64.475 1.00 61.64 N ATOM 89 CA SER 113 -20.878 41.569 63.536 1.00 61.64 C ATOM 90 CB SER 113 -21.163 40.823 62.222 1.00 61.64 C ATOM 91 OG SER 113 -21.277 39.428 62.450 1.00 61.64 O ATOM 92 C SER 113 -20.502 42.960 63.151 1.00 61.64 C ATOM 93 O SER 113 -21.333 43.870 63.179 1.00 61.64 O ATOM 94 N PHE 114 -19.218 43.136 62.766 1.00161.11 N ATOM 95 CA PHE 114 -18.700 44.437 62.458 1.00161.11 C ATOM 96 CB PHE 114 -17.773 44.982 63.555 1.00161.11 C ATOM 97 CG PHE 114 -18.611 45.322 64.737 1.00161.11 C ATOM 98 CD1 PHE 114 -18.880 44.360 65.687 1.00161.11 C ATOM 99 CD2 PHE 114 -19.127 46.587 64.878 1.00161.11 C ATOM 100 CE1 PHE 114 -19.648 44.650 66.787 1.00161.11 C ATOM 101 CE2 PHE 114 -19.896 46.884 65.977 1.00161.11 C ATOM 102 CZ PHE 114 -20.157 45.921 66.927 1.00161.11 C ATOM 103 C PHE 114 -17.901 44.405 61.198 1.00161.11 C ATOM 104 O PHE 114 -17.340 43.379 60.809 1.00161.11 O ATOM 105 N TYR 115 -17.856 45.577 60.536 1.00 92.90 N ATOM 106 CA TYR 115 -17.171 45.835 59.304 1.00 92.90 C ATOM 107 CB TYR 115 -17.427 47.263 58.806 1.00 92.90 C ATOM 108 CG TYR 115 -16.840 47.371 57.442 1.00 92.90 C ATOM 109 CD1 TYR 115 -17.558 46.889 56.373 1.00 92.90 C ATOM 110 CD2 TYR 115 -15.603 47.946 57.229 1.00 92.90 C ATOM 111 CE1 TYR 115 -17.048 46.972 55.104 1.00 92.90 C ATOM 112 CE2 TYR 115 -15.090 48.031 55.955 1.00 92.90 C ATOM 113 CZ TYR 115 -15.821 47.546 54.897 1.00 92.90 C ATOM 114 OH TYR 115 -15.319 47.623 53.584 1.00 92.90 O ATOM 115 C TYR 115 -15.699 45.719 59.541 1.00 92.90 C ATOM 116 O TYR 115 -14.966 45.191 58.704 1.00 92.90 O ATOM 117 N THR 116 -15.223 46.235 60.694 1.00106.23 N ATOM 118 CA THR 116 -13.805 46.244 60.916 1.00106.23 C ATOM 119 CB THR 116 -13.242 47.629 60.981 1.00106.23 C ATOM 120 OG1 THR 116 -13.880 48.357 62.019 1.00106.23 O ATOM 121 CG2 THR 116 -13.442 48.330 59.627 1.00106.23 C ATOM 122 C THR 116 -13.451 45.587 62.220 1.00106.23 C ATOM 123 O THR 116 -14.216 45.615 63.183 1.00106.23 O ATOM 124 N ILE 117 -12.236 44.990 62.261 1.00118.30 N ATOM 125 CA ILE 117 -11.684 44.304 63.401 1.00118.30 C ATOM 126 CB ILE 117 -10.376 43.632 63.076 1.00118.30 C ATOM 127 CG1 ILE 117 -9.825 42.814 64.264 1.00118.30 C ATOM 128 CG2 ILE 117 -9.428 44.717 62.550 1.00118.30 C ATOM 129 CD1 ILE 117 -10.624 41.551 64.588 1.00118.30 C ATOM 130 C ILE 117 -11.479 45.287 64.513 1.00118.30 C ATOM 131 O ILE 117 -11.793 45.008 65.669 1.00118.30 O ATOM 132 N GLY 118 -10.965 46.486 64.187 1.00 24.57 N ATOM 133 CA GLY 118 -10.712 47.470 65.199 1.00 24.57 C ATOM 134 C GLY 118 -11.998 47.877 65.861 1.00 24.57 C ATOM 135 O GLY 118 -12.046 48.115 67.062 1.00 24.57 O ATOM 136 N ASN 119 -13.093 48.018 65.105 1.00 56.28 N ATOM 137 CA ASN 119 -14.305 48.452 65.741 1.00 56.28 C ATOM 138 CB ASN 119 -15.390 48.883 64.745 1.00 56.28 C ATOM 139 CG ASN 119 -14.967 50.256 64.225 1.00 56.28 C ATOM 140 OD1 ASN 119 -13.789 50.504 63.965 1.00 56.28 O ATOM 141 ND2 ASN 119 -15.957 51.183 64.100 1.00 56.28 N ATOM 142 C ASN 119 -14.840 47.385 66.635 1.00 56.28 C ATOM 143 O ASN 119 -15.440 47.675 67.669 1.00 56.28 O ATOM 144 N LEU 120 -14.642 46.117 66.246 1.00119.60 N ATOM 145 CA LEU 120 -15.159 45.006 66.978 1.00119.60 C ATOM 146 CB LEU 120 -14.840 43.702 66.229 1.00119.60 C ATOM 147 CG LEU 120 -15.728 42.491 66.567 1.00119.60 C ATOM 148 CD1 LEU 120 -15.103 41.193 66.037 1.00119.60 C ATOM 149 CD2 LEU 120 -16.131 42.443 68.044 1.00119.60 C ATOM 150 C LEU 120 -14.472 45.009 68.320 1.00119.60 C ATOM 151 O LEU 120 -15.094 44.758 69.353 1.00119.60 O ATOM 152 N THR 121 -13.161 45.340 68.352 1.00104.45 N ATOM 153 CA THR 121 -12.426 45.310 69.592 1.00104.45 C ATOM 154 CB THR 121 -10.938 45.556 69.493 1.00104.45 C ATOM 155 OG1 THR 121 -10.320 45.255 70.738 1.00104.45 O ATOM 156 CG2 THR 121 -10.668 47.023 69.136 1.00104.45 C ATOM 157 C THR 121 -13.007 46.302 70.550 1.00104.45 C ATOM 158 O THR 121 -13.097 46.015 71.741 1.00104.45 O ATOM 159 N VAL 122 -13.425 47.491 70.071 1.00 29.69 N ATOM 160 CA VAL 122 -14.007 48.441 70.978 1.00 29.69 C ATOM 161 CB VAL 122 -14.542 49.674 70.302 1.00 29.69 C ATOM 162 CG1 VAL 122 -15.400 50.455 71.319 1.00 29.69 C ATOM 163 CG2 VAL 122 -13.352 50.469 69.740 1.00 29.69 C ATOM 164 C VAL 122 -15.186 47.775 71.593 1.00 29.69 C ATOM 165 O VAL 122 -15.433 47.870 72.794 1.00 29.69 O ATOM 166 N HIS 123 -15.938 47.046 70.762 1.00 56.33 N ATOM 167 CA HIS 123 -17.119 46.423 71.255 1.00 56.33 C ATOM 168 ND1 HIS 123 -20.320 46.027 70.991 1.00 56.33 N ATOM 169 CG HIS 123 -19.220 45.241 70.749 1.00 56.33 C ATOM 170 CB HIS 123 -17.940 45.741 70.161 1.00 56.33 C ATOM 171 NE2 HIS 123 -20.824 43.986 71.705 1.00 56.33 N ATOM 172 CD2 HIS 123 -19.544 43.997 71.188 1.00 56.33 C ATOM 173 CE1 HIS 123 -21.253 45.225 71.566 1.00 56.33 C ATOM 174 C HIS 123 -16.793 45.387 72.290 1.00 56.33 C ATOM 175 O HIS 123 -17.449 45.327 73.330 1.00 56.33 O ATOM 176 N MET 124 -15.768 44.547 72.042 1.00 55.49 N ATOM 177 CA MET 124 -15.439 43.491 72.958 1.00 55.49 C ATOM 178 CB MET 124 -14.161 42.736 72.560 1.00 55.49 C ATOM 179 CG MET 124 -14.273 42.118 71.168 1.00 55.49 C ATOM 180 SD MET 124 -12.781 41.275 70.556 1.00 55.49 S ATOM 181 CE MET 124 -13.122 39.693 71.376 1.00 55.49 C ATOM 182 C MET 124 -15.226 44.088 74.349 1.00 55.49 C ATOM 183 O MET 124 -15.552 43.392 75.346 1.00 55.49 O ATOM 184 OXT MET 124 -14.744 45.251 74.434 1.00 55.49 O