EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:44 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.7412 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1527.34973 REMARK 6 GA341 score: 0.98070 REMARK 6 Normalized DOPE score: -1.10796 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 47.8% ATOM 1 N LYS 109 -13.139 16.674 50.825 1.00132.76 N ATOM 2 CA LYS 109 -12.645 17.068 52.165 1.00132.76 C ATOM 3 CB LYS 109 -11.122 16.860 52.271 1.00132.76 C ATOM 4 CG LYS 109 -10.309 17.696 51.279 1.00132.76 C ATOM 5 CD LYS 109 -10.475 17.266 49.819 1.00132.76 C ATOM 6 CE LYS 109 -9.576 16.092 49.427 1.00132.76 C ATOM 7 NZ LYS 109 -9.732 15.787 47.987 1.00132.76 N ATOM 8 C LYS 109 -12.931 18.504 52.469 1.00132.76 C ATOM 9 O LYS 109 -12.437 19.042 53.459 1.00132.76 O ATOM 10 N ASN 110 -13.741 19.173 51.625 1.00 59.13 N ATOM 11 CA ASN 110 -14.025 20.553 51.897 1.00 59.13 C ATOM 12 CB ASN 110 -14.181 21.383 50.616 1.00 59.13 C ATOM 13 CG ASN 110 -12.858 21.284 49.870 1.00 59.13 C ATOM 14 OD1 ASN 110 -12.828 21.040 48.665 1.00 59.13 O ATOM 15 ND2 ASN 110 -11.728 21.461 50.605 1.00 59.13 N ATOM 16 C ASN 110 -15.320 20.580 52.645 1.00 59.13 C ATOM 17 O ASN 110 -16.399 20.569 52.056 1.00 59.13 O ATOM 18 N SER 111 -15.221 20.622 53.986 1.00 88.86 N ATOM 19 CA SER 111 -16.351 20.536 54.866 1.00 88.86 C ATOM 20 CB SER 111 -15.951 20.298 56.332 1.00 88.86 C ATOM 21 OG SER 111 -15.303 19.043 56.462 1.00 88.86 O ATOM 22 C SER 111 -17.216 21.756 54.857 1.00 88.86 C ATOM 23 O SER 111 -18.432 21.634 54.986 1.00 88.86 O ATOM 24 N PHE 112 -16.649 22.969 54.709 1.00 70.09 N ATOM 25 CA PHE 112 -17.537 24.078 54.904 1.00 70.09 C ATOM 26 CB PHE 112 -16.996 25.121 55.889 1.00 70.09 C ATOM 27 CG PHE 112 -17.039 24.434 57.213 1.00 70.09 C ATOM 28 CD1 PHE 112 -18.210 24.404 57.936 1.00 70.09 C ATOM 29 CD2 PHE 112 -15.924 23.810 57.725 1.00 70.09 C ATOM 30 CE1 PHE 112 -18.273 23.773 59.156 1.00 70.09 C ATOM 31 CE2 PHE 112 -15.978 23.177 58.945 1.00 70.09 C ATOM 32 CZ PHE 112 -17.152 23.160 59.661 1.00 70.09 C ATOM 33 C PHE 112 -17.929 24.726 53.616 1.00 70.09 C ATOM 34 O PHE 112 -17.096 25.062 52.778 1.00 70.09 O ATOM 35 N THR 113 -19.256 24.929 53.460 1.00102.12 N ATOM 36 CA THR 113 -19.803 25.482 52.255 1.00102.12 C ATOM 37 CB THR 113 -20.908 24.660 51.663 1.00102.12 C ATOM 38 OG1 THR 113 -21.268 25.174 50.389 1.00102.12 O ATOM 39 CG2 THR 113 -22.116 24.710 52.616 1.00102.12 C ATOM 40 C THR 113 -20.405 26.814 52.555 1.00102.12 C ATOM 41 O THR 113 -20.999 27.023 53.612 1.00102.12 O ATOM 42 N CYS 114 -20.236 27.764 51.612 1.00 42.60 N ATOM 43 CA CYS 114 -20.796 29.076 51.763 1.00 42.60 C ATOM 44 CB CYS 114 -20.162 30.129 50.834 1.00 42.60 C ATOM 45 SG CYS 114 -20.886 31.784 51.049 1.00 42.60 S ATOM 46 C CYS 114 -22.253 28.984 51.433 1.00 42.60 C ATOM 47 O CYS 114 -22.647 28.368 50.446 1.00 42.60 O ATOM 48 N THR 115 -23.102 29.616 52.264 1.00110.32 N ATOM 49 CA THR 115 -24.517 29.550 52.051 1.00110.32 C ATOM 50 CB THR 115 -25.291 30.199 53.168 1.00110.32 C ATOM 51 OG1 THR 115 -26.689 30.043 52.963 1.00110.32 O ATOM 52 CG2 THR 115 -24.916 31.688 53.246 1.00110.32 C ATOM 53 C THR 115 -24.887 30.221 50.763 1.00110.32 C ATOM 54 O THR 115 -25.700 29.696 50.002 1.00110.32 O ATOM 55 N GLN 116 -24.331 31.420 50.493 1.00112.10 N ATOM 56 CA GLN 116 -24.751 32.141 49.324 1.00112.10 C ATOM 57 CB GLN 116 -24.285 33.608 49.364 1.00112.10 C ATOM 58 CG GLN 116 -22.763 33.779 49.377 1.00112.10 C ATOM 59 CD GLN 116 -22.456 35.246 49.640 1.00112.10 C ATOM 60 OE1 GLN 116 -22.768 35.777 50.705 1.00112.10 O ATOM 61 NE2 GLN 116 -21.830 35.927 48.644 1.00112.10 N ATOM 62 C GLN 116 -24.294 31.535 48.023 1.00112.10 C ATOM 63 O GLN 116 -25.122 31.209 47.172 1.00112.10 O ATOM 64 N CYS 117 -22.963 31.391 47.831 1.00 61.18 N ATOM 65 CA CYS 117 -22.419 30.882 46.596 1.00 61.18 C ATOM 66 CB CYS 117 -20.946 31.273 46.376 1.00 61.18 C ATOM 67 SG CYS 117 -19.861 30.714 47.719 1.00 61.18 S ATOM 68 C CYS 117 -22.543 29.394 46.489 1.00 61.18 C ATOM 69 O CYS 117 -22.863 28.865 45.426 1.00 61.18 O ATOM 70 N GLY 118 -22.298 28.670 47.597 1.00 27.59 N ATOM 71 CA GLY 118 -22.354 27.239 47.537 1.00 27.59 C ATOM 72 C GLY 118 -20.963 26.694 47.388 1.00 27.59 C ATOM 73 O GLY 118 -20.783 25.479 47.327 1.00 27.59 O ATOM 74 N LYS 119 -19.937 27.568 47.328 1.00104.69 N ATOM 75 CA LYS 119 -18.588 27.092 47.187 1.00104.69 C ATOM 76 CB LYS 119 -17.577 28.195 46.829 1.00104.69 C ATOM 77 CG LYS 119 -16.151 27.663 46.684 1.00104.69 C ATOM 78 CD LYS 119 -15.188 28.636 46.008 1.00104.69 C ATOM 79 CE LYS 119 -15.231 28.541 44.487 1.00104.69 C ATOM 80 NZ LYS 119 -16.588 28.883 44.011 1.00104.69 N ATOM 81 C LYS 119 -18.157 26.466 48.481 1.00104.69 C ATOM 82 O LYS 119 -18.572 26.890 49.558 1.00104.69 O ATOM 83 N SER 120 -17.298 25.424 48.400 1.00 52.41 N ATOM 84 CA SER 120 -16.867 24.728 49.584 1.00 52.41 C ATOM 85 CB SER 120 -17.045 23.203 49.495 1.00 52.41 C ATOM 86 OG SER 120 -18.425 22.872 49.444 1.00 52.41 O ATOM 87 C SER 120 -15.408 24.993 49.805 1.00 52.41 C ATOM 88 O SER 120 -14.655 25.237 48.863 1.00 52.41 O ATOM 89 N PHE 121 -14.976 24.952 51.086 1.00145.47 N ATOM 90 CA PHE 121 -13.613 25.254 51.424 1.00145.47 C ATOM 91 CB PHE 121 -13.465 26.609 52.136 1.00145.47 C ATOM 92 CG PHE 121 -13.830 27.679 51.164 1.00145.47 C ATOM 93 CD1 PHE 121 -15.140 28.073 51.021 1.00145.47 C ATOM 94 CD2 PHE 121 -12.866 28.282 50.387 1.00145.47 C ATOM 95 CE1 PHE 121 -15.483 29.057 50.122 1.00145.47 C ATOM 96 CE2 PHE 121 -13.203 29.267 49.487 1.00145.47 C ATOM 97 CZ PHE 121 -14.515 29.656 49.353 1.00145.47 C ATOM 98 C PHE 121 -13.076 24.217 52.359 1.00145.47 C ATOM 99 O PHE 121 -13.809 23.605 53.136 1.00145.47 O ATOM 100 N SER 122 -11.753 23.984 52.270 1.00 35.24 N ATOM 101 CA SER 122 -11.068 23.054 53.115 1.00 35.24 C ATOM 102 CB SER 122 -9.642 22.753 52.624 1.00 35.24 C ATOM 103 OG SER 122 -8.854 23.933 52.657 1.00 35.24 O ATOM 104 C SER 122 -10.969 23.619 54.499 1.00 35.24 C ATOM 105 O SER 122 -10.984 22.873 55.477 1.00 35.24 O ATOM 106 N GLN 123 -10.869 24.962 54.624 1.00 48.20 N ATOM 107 CA GLN 123 -10.675 25.504 55.939 1.00 48.20 C ATOM 108 CB GLN 123 -9.330 26.233 56.127 1.00 48.20 C ATOM 109 CG GLN 123 -8.105 25.318 56.037 1.00 48.20 C ATOM 110 CD GLN 123 -6.866 26.157 56.337 1.00 48.20 C ATOM 111 OE1 GLN 123 -6.636 27.193 55.716 1.00 48.20 O ATOM 112 NE2 GLN 123 -6.054 25.710 57.334 1.00 48.20 N ATOM 113 C GLN 123 -11.761 26.471 56.298 1.00 48.20 C ATOM 114 O GLN 123 -12.321 27.175 55.461 1.00 48.20 O ATOM 115 N LEU 124 -12.062 26.507 57.610 1.00138.35 N ATOM 116 CA LEU 124 -13.081 27.324 58.199 1.00138.35 C ATOM 117 CB LEU 124 -13.180 27.124 59.722 1.00138.35 C ATOM 118 CG LEU 124 -13.422 25.671 60.171 1.00138.35 C ATOM 119 CD1 LEU 124 -12.237 24.756 59.816 1.00138.35 C ATOM 120 CD2 LEU 124 -13.778 25.616 61.666 1.00138.35 C ATOM 121 C LEU 124 -12.717 28.761 58.009 1.00138.35 C ATOM 122 O LEU 124 -13.565 29.584 57.669 1.00138.35 O ATOM 123 N SER 125 -11.428 29.093 58.222 1.00 67.20 N ATOM 124 CA SER 125 -10.981 30.456 58.165 1.00 67.20 C ATOM 125 CB SER 125 -9.471 30.602 58.440 1.00 67.20 C ATOM 126 OG SER 125 -9.155 30.156 59.750 1.00 67.20 O ATOM 127 C SER 125 -11.213 30.980 56.788 1.00 67.20 C ATOM 128 O SER 125 -11.662 32.111 56.609 1.00 67.20 O ATOM 129 N ASN 126 -10.918 30.150 55.774 1.00 29.70 N ATOM 130 CA ASN 126 -11.040 30.577 54.413 1.00 29.70 C ATOM 131 CB ASN 126 -10.611 29.494 53.406 1.00 29.70 C ATOM 132 CG ASN 126 -9.117 29.260 53.581 1.00 29.70 C ATOM 133 OD1 ASN 126 -8.395 30.124 54.074 1.00 29.70 O ATOM 134 ND2 ASN 126 -8.636 28.057 53.169 1.00 29.70 N ATOM 135 C ASN 126 -12.474 30.895 54.143 1.00 29.70 C ATOM 136 O ASN 126 -12.785 31.892 53.494 1.00 29.70 O ATOM 137 N LEU 127 -13.394 30.054 54.644 1.00106.27 N ATOM 138 CA LEU 127 -14.792 30.255 54.398 1.00106.27 C ATOM 139 CB LEU 127 -15.639 29.099 54.967 1.00106.27 C ATOM 140 CG LEU 127 -17.151 29.171 54.670 1.00106.27 C ATOM 141 CD1 LEU 127 -17.845 30.290 55.461 1.00106.27 C ATOM 142 CD2 LEU 127 -17.411 29.274 53.159 1.00106.27 C ATOM 143 C LEU 127 -15.215 31.551 55.032 1.00106.27 C ATOM 144 O LEU 127 -15.964 32.324 54.436 1.00106.27 O ATOM 145 N LYS 128 -14.717 31.846 56.250 1.00 72.93 N ATOM 146 CA LYS 128 -15.130 33.035 56.947 1.00 72.93 C ATOM 147 CB LYS 128 -14.395 33.245 58.283 1.00 72.93 C ATOM 148 CG LYS 128 -14.705 34.595 58.934 1.00 72.93 C ATOM 149 CD LYS 128 -14.146 34.732 60.351 1.00 72.93 C ATOM 150 CE LYS 128 -14.289 36.142 60.931 1.00 72.93 C ATOM 151 NZ LYS 128 -13.677 36.201 62.277 1.00 72.93 N ATOM 152 C LYS 128 -14.809 34.238 56.125 1.00 72.93 C ATOM 153 O LYS 128 -15.650 35.117 55.947 1.00 72.93 O ATOM 154 N ASN 129 -13.577 34.301 55.591 1.00 31.63 N ATOM 155 CA ASN 129 -13.180 35.446 54.827 1.00 31.63 C ATOM 156 CB ASN 129 -11.699 35.405 54.404 1.00 31.63 C ATOM 157 CG ASN 129 -10.862 35.811 55.609 1.00 31.63 C ATOM 158 OD1 ASN 129 -10.686 36.996 55.887 1.00 31.63 O ATOM 159 ND2 ASN 129 -10.341 34.803 56.358 1.00 31.63 N ATOM 160 C ASN 129 -14.021 35.515 53.596 1.00 31.63 C ATOM 161 O ASN 129 -14.421 36.598 53.170 1.00 31.63 O ATOM 162 N HIS 130 -14.328 34.344 53.005 1.00 43.72 N ATOM 163 CA HIS 130 -15.060 34.284 51.775 1.00 43.72 C ATOM 164 ND1 HIS 130 -15.339 32.845 48.803 1.00 43.72 N ATOM 165 CG HIS 130 -16.007 32.752 50.003 1.00 43.72 C ATOM 166 CB HIS 130 -15.337 32.832 51.341 1.00 43.72 C ATOM 167 NE2 HIS 130 -17.495 32.601 48.315 1.00 43.72 N ATOM 168 CD2 HIS 130 -17.321 32.602 49.689 1.00 43.72 C ATOM 169 CE1 HIS 130 -16.277 32.750 47.827 1.00 43.72 C ATOM 170 C HIS 130 -16.382 34.954 51.967 1.00 43.72 C ATOM 171 O HIS 130 -16.778 35.809 51.174 1.00 43.72 O ATOM 172 N MET 131 -17.096 34.596 53.049 1.00 39.13 N ATOM 173 CA MET 131 -18.366 35.214 53.286 1.00 39.13 C ATOM 174 CB MET 131 -19.063 34.752 54.577 1.00 39.13 C ATOM 175 CG MET 131 -19.668 33.351 54.479 1.00 39.13 C ATOM 176 SD MET 131 -20.520 32.794 55.986 1.00 39.13 S ATOM 177 CE MET 131 -21.142 31.257 55.246 1.00 39.13 C ATOM 178 C MET 131 -18.146 36.714 53.397 1.00 39.13 C ATOM 179 O MET 131 -18.809 37.463 52.633 1.00 39.13 O ATOM 180 OXT MET 131 -17.315 37.132 54.248 1.00 39.13 O