EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:18 REMARK 6 MODELLER OBJECTIVE FUNCTION: 85.7992 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1251.21777 REMARK 6 GA341 score: 0.80511 REMARK 6 Normalized DOPE score: -1.01622 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 158 -0.244 24.304 51.401 1.00 90.46 N ATOM 2 CA GLU 158 -1.702 24.449 51.608 1.00 90.46 C ATOM 3 CB GLU 158 -2.136 23.590 52.810 1.00 90.46 C ATOM 4 CG GLU 158 -1.415 23.928 54.118 1.00 90.46 C ATOM 5 CD GLU 158 -2.257 24.941 54.882 1.00 90.46 C ATOM 6 OE1 GLU 158 -3.403 24.570 55.251 1.00 90.46 O ATOM 7 OE2 GLU 158 -1.779 26.084 55.109 1.00 90.46 O ATOM 8 C GLU 158 -2.054 25.885 51.823 1.00 90.46 C ATOM 9 O GLU 158 -1.440 26.575 52.634 1.00 90.46 O ATOM 10 N GLU 159 -3.037 26.393 51.057 1.00 54.72 N ATOM 11 CA GLU 159 -3.390 27.773 51.206 1.00 54.72 C ATOM 12 CB GLU 159 -3.193 28.547 49.896 1.00 54.72 C ATOM 13 CG GLU 159 -1.715 28.592 49.499 1.00 54.72 C ATOM 14 CD GLU 159 -1.597 28.977 48.030 1.00 54.72 C ATOM 15 OE1 GLU 159 -2.073 28.187 47.172 1.00 54.72 O ATOM 16 OE2 GLU 159 -1.026 30.063 47.745 1.00 54.72 O ATOM 17 C GLU 159 -4.835 27.820 51.590 1.00 54.72 C ATOM 18 O GLU 159 -5.737 27.595 50.789 1.00 54.72 O ATOM 19 N PRO 160 -5.026 28.088 52.849 1.00107.13 N ATOM 20 CA PRO 160 -6.353 28.134 53.410 1.00107.13 C ATOM 21 CD PRO 160 -4.064 27.566 53.805 1.00107.13 C ATOM 22 CB PRO 160 -6.178 27.975 54.920 1.00107.13 C ATOM 23 CG PRO 160 -4.876 27.168 55.048 1.00107.13 C ATOM 24 C PRO 160 -7.234 29.291 53.040 1.00107.13 C ATOM 25 O PRO 160 -8.438 29.186 53.266 1.00107.13 O ATOM 26 N TYR 161 -6.708 30.399 52.485 1.00 58.86 N ATOM 27 CA TYR 161 -7.616 31.490 52.253 1.00 58.86 C ATOM 28 CB TYR 161 -7.091 32.842 52.758 1.00 58.86 C ATOM 29 CG TYR 161 -7.057 32.748 54.244 1.00 58.86 C ATOM 30 CD1 TYR 161 -8.209 32.930 54.971 1.00 58.86 C ATOM 31 CD2 TYR 161 -5.883 32.486 54.911 1.00 58.86 C ATOM 32 CE1 TYR 161 -8.193 32.843 56.342 1.00 58.86 C ATOM 33 CE2 TYR 161 -5.859 32.398 56.283 1.00 58.86 C ATOM 34 CZ TYR 161 -7.017 32.577 57.001 1.00 58.86 C ATOM 35 OH TYR 161 -6.996 32.485 58.408 1.00 58.86 O ATOM 36 C TYR 161 -7.900 31.614 50.790 1.00 58.86 C ATOM 37 O TYR 161 -6.993 31.753 49.972 1.00 58.86 O ATOM 38 N SER 162 -9.201 31.576 50.428 1.00 75.86 N ATOM 39 CA SER 162 -9.567 31.622 49.041 1.00 75.86 C ATOM 40 CB SER 162 -10.462 30.449 48.605 1.00 75.86 C ATOM 41 OG SER 162 -11.690 30.485 49.316 1.00 75.86 O ATOM 42 C SER 162 -10.329 32.877 48.756 1.00 75.86 C ATOM 43 O SER 162 -11.112 33.356 49.576 1.00 75.86 O ATOM 44 N CYS 163 -10.085 33.447 47.558 1.00 41.09 N ATOM 45 CA CYS 163 -10.749 34.639 47.107 1.00 41.09 C ATOM 46 CB CYS 163 -10.014 35.355 45.957 1.00 41.09 C ATOM 47 SG CYS 163 -10.862 36.866 45.402 1.00 41.09 S ATOM 48 C CYS 163 -12.106 34.256 46.617 1.00 41.09 C ATOM 49 O CYS 163 -12.267 33.268 45.903 1.00 41.09 O ATOM 50 N LEU 164 -13.126 35.047 46.985 1.00 47.06 N ATOM 51 CA LEU 164 -14.473 34.729 46.618 1.00 47.06 C ATOM 52 CB LEU 164 -15.487 35.694 47.256 1.00 47.06 C ATOM 53 CG LEU 164 -15.493 35.645 48.795 1.00 47.06 C ATOM 54 CD1 LEU 164 -16.550 36.595 49.380 1.00 47.06 C ATOM 55 CD2 LEU 164 -15.635 34.204 49.310 1.00 47.06 C ATOM 56 C LEU 164 -14.654 34.806 45.134 1.00 47.06 C ATOM 57 O LEU 164 -15.283 33.933 44.538 1.00 47.06 O ATOM 58 N GLN 165 -14.146 35.879 44.497 1.00112.62 N ATOM 59 CA GLN 165 -14.406 36.022 43.093 1.00112.62 C ATOM 60 CB GLN 165 -14.097 37.438 42.578 1.00112.62 C ATOM 61 CG GLN 165 -14.299 37.584 41.068 1.00112.62 C ATOM 62 CD GLN 165 -15.758 37.300 40.752 1.00112.62 C ATOM 63 OE1 GLN 165 -16.068 36.481 39.889 1.00112.62 O ATOM 64 NE2 GLN 165 -16.678 38.003 41.465 1.00112.62 N ATOM 65 C GLN 165 -13.654 35.058 42.220 1.00112.62 C ATOM 66 O GLN 165 -14.262 34.298 41.465 1.00112.62 O ATOM 67 N CYS 166 -12.308 35.082 42.300 1.00 60.29 N ATOM 68 CA CYS 166 -11.455 34.293 41.448 1.00 60.29 C ATOM 69 CB CYS 166 -10.019 34.845 41.382 1.00 60.29 C ATOM 70 SG CYS 166 -9.218 34.935 43.011 1.00 60.29 S ATOM 71 C CYS 166 -11.394 32.850 41.850 1.00 60.29 C ATOM 72 O CYS 166 -11.376 31.963 40.997 1.00 60.29 O ATOM 73 N GLY 167 -11.354 32.570 43.167 1.00 23.95 N ATOM 74 CA GLY 167 -11.239 31.213 43.613 1.00 23.95 C ATOM 75 C GLY 167 -9.791 30.901 43.860 1.00 23.95 C ATOM 76 O GLY 167 -9.449 29.768 44.193 1.00 23.95 O ATOM 77 N LYS 168 -8.894 31.899 43.702 1.00 84.01 N ATOM 78 CA LYS 168 -7.495 31.662 43.931 1.00 84.01 C ATOM 79 CB LYS 168 -6.586 32.774 43.374 1.00 84.01 C ATOM 80 CG LYS 168 -5.092 32.439 43.428 1.00 84.01 C ATOM 81 CD LYS 168 -4.229 33.331 42.529 1.00 84.01 C ATOM 82 CE LYS 168 -2.721 33.138 42.719 1.00 84.01 C ATOM 83 NZ LYS 168 -2.365 31.704 42.620 1.00 84.01 N ATOM 84 C LYS 168 -7.270 31.569 45.410 1.00 84.01 C ATOM 85 O LYS 168 -7.935 32.250 46.192 1.00 84.01 O ATOM 86 N SER 169 -6.315 30.714 45.837 1.00 55.27 N ATOM 87 CA SER 169 -6.076 30.551 47.248 1.00 55.27 C ATOM 88 CB SER 169 -6.151 29.094 47.738 1.00 55.27 C ATOM 89 OG SER 169 -7.498 28.645 47.730 1.00 55.27 O ATOM 90 C SER 169 -4.712 31.068 47.593 1.00 55.27 C ATOM 91 O SER 169 -3.805 31.076 46.765 1.00 55.27 O ATOM 92 N TYR 170 -4.545 31.515 48.859 1.00146.53 N ATOM 93 CA TYR 170 -3.304 32.103 49.286 1.00146.53 C ATOM 94 CB TYR 170 -3.418 33.623 49.510 1.00146.53 C ATOM 95 CG TYR 170 -3.767 34.225 48.190 1.00146.53 C ATOM 96 CD1 TYR 170 -5.084 34.345 47.808 1.00146.53 C ATOM 97 CD2 TYR 170 -2.785 34.650 47.322 1.00146.53 C ATOM 98 CE1 TYR 170 -5.413 34.892 46.590 1.00146.53 C ATOM 99 CE2 TYR 170 -3.110 35.200 46.103 1.00146.53 C ATOM 100 CZ TYR 170 -4.429 35.323 45.734 1.00146.53 C ATOM 101 OH TYR 170 -4.775 35.884 44.485 1.00146.53 O ATOM 102 C TYR 170 -2.880 31.500 50.590 1.00146.53 C ATOM 103 O TYR 170 -3.695 31.013 51.371 1.00146.53 O ATOM 104 N LYS 171 -1.553 31.507 50.829 1.00135.91 N ATOM 105 CA LYS 171 -0.952 31.022 52.038 1.00135.91 C ATOM 106 CB LYS 171 0.587 31.005 51.977 1.00135.91 C ATOM 107 CG LYS 171 1.240 30.503 53.268 1.00135.91 C ATOM 108 CD LYS 171 1.048 29.010 53.539 1.00135.91 C ATOM 109 CE LYS 171 1.920 28.123 52.648 1.00135.91 C ATOM 110 NZ LYS 171 1.676 26.695 52.949 1.00135.91 N ATOM 111 C LYS 171 -1.331 31.910 53.185 1.00135.91 C ATOM 112 O LYS 171 -1.583 31.426 54.287 1.00135.91 O ATOM 113 N GLN 172 -1.368 33.244 52.966 1.00 45.95 N ATOM 114 CA GLN 172 -1.648 34.132 54.063 1.00 45.95 C ATOM 115 CB GLN 172 -0.512 35.110 54.410 1.00 45.95 C ATOM 116 CG GLN 172 0.734 34.465 55.016 1.00 45.95 C ATOM 117 CD GLN 172 1.726 35.590 55.300 1.00 45.95 C ATOM 118 OE1 GLN 172 1.415 36.763 55.116 1.00 45.95 O ATOM 119 NE2 GLN 172 2.951 35.226 55.768 1.00 45.95 N ATOM 120 C GLN 172 -2.829 34.998 53.759 1.00 45.95 C ATOM 121 O GLN 172 -3.113 35.332 52.611 1.00 45.95 O ATOM 122 N ASN 173 -3.531 35.398 54.838 1.00 62.02 N ATOM 123 CA ASN 173 -4.707 36.218 54.791 1.00 62.02 C ATOM 124 CB ASN 173 -5.336 36.415 56.183 1.00 62.02 C ATOM 125 CG ASN 173 -6.766 36.907 56.007 1.00 62.02 C ATOM 126 OD1 ASN 173 -7.244 37.085 54.889 1.00 62.02 O ATOM 127 ND2 ASN 173 -7.471 37.133 57.148 1.00 62.02 N ATOM 128 C ASN 173 -4.337 37.571 54.266 1.00 62.02 C ATOM 129 O ASN 173 -5.080 38.161 53.482 1.00 62.02 O ATOM 130 N GLY 174 -3.167 38.096 54.674 1.00 19.66 N ATOM 131 CA GLY 174 -2.762 39.412 54.265 1.00 19.66 C ATOM 132 C GLY 174 -2.631 39.453 52.774 1.00 19.66 C ATOM 133 O GLY 174 -3.008 40.437 52.140 1.00 19.66 O ATOM 134 N ASN 175 -2.069 38.387 52.178 1.00 37.75 N ATOM 135 CA ASN 175 -1.889 38.339 50.757 1.00 37.75 C ATOM 136 CB ASN 175 -1.197 37.049 50.286 1.00 37.75 C ATOM 137 CG ASN 175 0.267 37.113 50.692 1.00 37.75 C ATOM 138 OD1 ASN 175 1.101 37.638 49.959 1.00 37.75 O ATOM 139 ND2 ASN 175 0.586 36.572 51.898 1.00 37.75 N ATOM 140 C ASN 175 -3.236 38.361 50.113 1.00 37.75 C ATOM 141 O ASN 175 -3.443 39.050 49.116 1.00 37.75 O ATOM 142 N LEU 176 -4.195 37.607 50.680 1.00104.91 N ATOM 143 CA LEU 176 -5.501 37.522 50.096 1.00104.91 C ATOM 144 CB LEU 176 -6.444 36.577 50.874 1.00104.91 C ATOM 145 CG LEU 176 -7.888 36.487 50.328 1.00104.91 C ATOM 146 CD1 LEU 176 -8.733 37.711 50.721 1.00104.91 C ATOM 147 CD2 LEU 176 -7.895 36.241 48.811 1.00104.91 C ATOM 148 C LEU 176 -6.113 38.880 50.086 1.00104.91 C ATOM 149 O LEU 176 -6.695 39.293 49.084 1.00104.91 O ATOM 150 N GLU 177 -5.982 39.631 51.193 1.00 66.05 N ATOM 151 CA GLU 177 -6.644 40.901 51.234 1.00 66.05 C ATOM 152 CB GLU 177 -6.516 41.645 52.576 1.00 66.05 C ATOM 153 CG GLU 177 -7.430 42.871 52.645 1.00 66.05 C ATOM 154 CD GLU 177 -7.303 43.512 54.021 1.00 66.05 C ATOM 155 OE1 GLU 177 -6.467 43.024 54.825 1.00 66.05 O ATOM 156 OE2 GLU 177 -8.045 44.496 54.287 1.00 66.05 O ATOM 157 C GLU 177 -6.084 41.781 50.169 1.00 66.05 C ATOM 158 O GLU 177 -6.828 42.480 49.486 1.00 66.05 O ATOM 159 N VAL 178 -4.753 41.762 49.980 1.00 17.08 N ATOM 160 CA VAL 178 -4.184 42.630 48.995 1.00 17.08 C ATOM 161 CB VAL 178 -2.693 42.508 48.904 1.00 17.08 C ATOM 162 CG1 VAL 178 -2.212 43.394 47.744 1.00 17.08 C ATOM 163 CG2 VAL 178 -2.085 42.880 50.267 1.00 17.08 C ATOM 164 C VAL 178 -4.761 42.252 47.671 1.00 17.08 C ATOM 165 O VAL 178 -5.169 43.117 46.895 1.00 17.08 O ATOM 166 N HIS 179 -4.827 40.938 47.390 1.00 28.63 N ATOM 167 CA HIS 179 -5.356 40.489 46.135 1.00 28.63 C ATOM 168 ND1 HIS 179 -5.104 38.503 43.534 1.00 28.63 N ATOM 169 CG HIS 179 -5.882 38.477 44.671 1.00 28.63 C ATOM 170 CB HIS 179 -5.423 38.954 46.015 1.00 28.63 C ATOM 171 NE2 HIS 179 -7.060 37.618 42.948 1.00 28.63 N ATOM 172 CD2 HIS 179 -7.073 37.935 44.296 1.00 28.63 C ATOM 173 CE1 HIS 179 -5.858 37.977 42.534 1.00 28.63 C ATOM 174 C HIS 179 -6.768 41.041 46.004 1.00 28.63 C ATOM 175 O HIS 179 -7.225 41.236 44.846 1.00 28.63 O ATOM 176 OXT HIS 179 -7.410 41.281 47.062 1.00 28.63 O