EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:15 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.6001 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1412.68127 REMARK 6 GA341 score: 0.99974 REMARK 6 Normalized DOPE score: -1.03449 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 119 -0.401 20.552 61.525 1.00 67.83 N ATOM 2 CA GLU 119 -0.691 19.664 60.377 1.00 67.83 C ATOM 3 CB GLU 119 -1.503 18.438 60.815 1.00 67.83 C ATOM 4 CG GLU 119 -0.823 17.516 61.822 1.00 67.83 C ATOM 5 CD GLU 119 -1.816 16.395 62.087 1.00 67.83 C ATOM 6 OE1 GLU 119 -2.819 16.318 61.328 1.00 67.83 O ATOM 7 OE2 GLU 119 -1.585 15.597 63.034 1.00 67.83 O ATOM 8 C GLU 119 -1.567 20.370 59.401 1.00 67.83 C ATOM 9 O GLU 119 -1.894 21.542 59.575 1.00 67.83 O ATOM 10 N LYS 120 -1.947 19.659 58.323 1.00 74.56 N ATOM 11 CA LYS 120 -2.898 20.194 57.394 1.00 74.56 C ATOM 12 CB LYS 120 -2.523 19.994 55.914 1.00 74.56 C ATOM 13 CG LYS 120 -1.270 20.719 55.415 1.00 74.56 C ATOM 14 CD LYS 120 -0.852 20.232 54.019 1.00 74.56 C ATOM 15 CE LYS 120 0.266 21.042 53.360 1.00 74.56 C ATOM 16 NZ LYS 120 0.491 20.559 51.975 1.00 74.56 N ATOM 17 C LYS 120 -4.098 19.325 57.580 1.00 74.56 C ATOM 18 O LYS 120 -4.289 18.354 56.854 1.00 74.56 O ATOM 19 N PRO 121 -4.905 19.643 58.544 1.00119.19 N ATOM 20 CA PRO 121 -6.057 18.865 58.901 1.00119.19 C ATOM 21 CD PRO 121 -4.686 20.780 59.417 1.00119.19 C ATOM 22 CB PRO 121 -6.576 19.490 60.198 1.00119.19 C ATOM 23 CG PRO 121 -6.004 20.920 60.192 1.00119.19 C ATOM 24 C PRO 121 -7.110 18.782 57.841 1.00119.19 C ATOM 25 O PRO 121 -7.808 17.770 57.792 1.00119.19 O ATOM 26 N PHE 122 -7.263 19.804 56.978 1.00 63.03 N ATOM 27 CA PHE 122 -8.372 19.725 56.070 1.00 63.03 C ATOM 28 CB PHE 122 -9.217 21.006 56.017 1.00 63.03 C ATOM 29 CG PHE 122 -9.947 21.072 57.317 1.00 63.03 C ATOM 30 CD1 PHE 122 -11.165 20.441 57.465 1.00 63.03 C ATOM 31 CD2 PHE 122 -9.417 21.751 58.389 1.00 63.03 C ATOM 32 CE1 PHE 122 -11.848 20.488 58.657 1.00 63.03 C ATOM 33 CE2 PHE 122 -10.096 21.801 59.584 1.00 63.03 C ATOM 34 CZ PHE 122 -11.312 21.175 59.718 1.00 63.03 C ATOM 35 C PHE 122 -7.903 19.403 54.690 1.00 63.03 C ATOM 36 O PHE 122 -7.003 20.042 54.149 1.00 63.03 O ATOM 37 N THR 123 -8.550 18.388 54.082 1.00 34.00 N ATOM 38 CA THR 123 -8.174 17.923 52.782 1.00 34.00 C ATOM 39 CB THR 123 -7.879 16.447 52.776 1.00 34.00 C ATOM 40 OG1 THR 123 -6.819 16.157 53.674 1.00 34.00 O ATOM 41 CG2 THR 123 -7.505 15.999 51.355 1.00 34.00 C ATOM 42 C THR 123 -9.302 18.167 51.824 1.00 34.00 C ATOM 43 O THR 123 -10.474 17.953 52.134 1.00 34.00 O ATOM 44 N CYS 124 -8.957 18.654 50.617 1.00 46.00 N ATOM 45 CA CYS 124 -9.934 18.902 49.599 1.00 46.00 C ATOM 46 CB CYS 124 -9.411 19.823 48.491 1.00 46.00 C ATOM 47 SG CYS 124 -10.623 20.129 47.175 1.00 46.00 S ATOM 48 C CYS 124 -10.305 17.595 48.977 1.00 46.00 C ATOM 49 O CYS 124 -9.452 16.788 48.610 1.00 46.00 O ATOM 50 N THR 125 -11.619 17.365 48.823 1.00112.95 N ATOM 51 CA THR 125 -12.085 16.117 48.302 1.00112.95 C ATOM 52 CB THR 125 -13.584 16.016 48.323 1.00112.95 C ATOM 53 OG1 THR 125 -14.000 14.735 47.875 1.00112.95 O ATOM 54 CG2 THR 125 -14.185 17.118 47.435 1.00112.95 C ATOM 55 C THR 125 -11.616 15.911 46.896 1.00112.95 C ATOM 56 O THR 125 -11.157 14.821 46.554 1.00112.95 O ATOM 57 N GLN 126 -11.744 16.928 46.022 1.00120.57 N ATOM 58 CA GLN 126 -11.386 16.663 44.657 1.00120.57 C ATOM 59 CB GLN 126 -11.957 17.699 43.673 1.00120.57 C ATOM 60 CG GLN 126 -13.484 17.659 43.612 1.00120.57 C ATOM 61 CD GLN 126 -13.969 18.666 42.580 1.00120.57 C ATOM 62 OE1 GLN 126 -15.170 18.890 42.440 1.00120.57 O ATOM 63 NE2 GLN 126 -13.016 19.285 41.834 1.00120.57 N ATOM 64 C GLN 126 -9.910 16.562 44.400 1.00120.57 C ATOM 65 O GLN 126 -9.444 15.555 43.868 1.00120.57 O ATOM 66 N CYS 127 -9.145 17.619 44.750 1.00 59.31 N ATOM 67 CA CYS 127 -7.730 17.672 44.469 1.00 59.31 C ATOM 68 CB CYS 127 -7.162 19.100 44.539 1.00 59.31 C ATOM 69 SG CYS 127 -7.425 19.878 46.156 1.00 59.31 S ATOM 70 C CYS 127 -6.929 16.811 45.396 1.00 59.31 C ATOM 71 O CYS 127 -5.998 16.131 44.969 1.00 59.31 O ATOM 72 N GLY 128 -7.268 16.818 46.700 1.00 27.99 N ATOM 73 CA GLY 128 -6.508 16.055 47.646 1.00 27.99 C ATOM 74 C GLY 128 -5.510 16.948 48.331 1.00 27.99 C ATOM 75 O GLY 128 -4.746 16.490 49.180 1.00 27.99 O ATOM 76 N LYS 129 -5.485 18.254 47.989 1.00 90.19 N ATOM 77 CA LYS 129 -4.542 19.140 48.615 1.00 90.19 C ATOM 78 CB LYS 129 -4.329 20.453 47.839 1.00 90.19 C ATOM 79 CG LYS 129 -3.305 21.397 48.473 1.00 90.19 C ATOM 80 CD LYS 129 -2.750 22.431 47.489 1.00 90.19 C ATOM 81 CE LYS 129 -3.827 23.256 46.781 1.00 90.19 C ATOM 82 NZ LYS 129 -3.206 24.144 45.771 1.00 90.19 N ATOM 83 C LYS 129 -5.010 19.438 50.010 1.00 90.19 C ATOM 84 O LYS 129 -6.211 19.497 50.272 1.00 90.19 O ATOM 85 N CYS 130 -4.053 19.630 50.947 1.00 53.15 N ATOM 86 CA CYS 130 -4.399 19.815 52.332 1.00 53.15 C ATOM 87 CB CYS 130 -3.588 18.914 53.274 1.00 53.15 C ATOM 88 SG CYS 130 -3.835 17.146 52.932 1.00 53.15 S ATOM 89 C CYS 130 -4.124 21.230 52.746 1.00 53.15 C ATOM 90 O CYS 130 -3.217 21.879 52.226 1.00 53.15 O ATOM 91 N PHE 131 -4.917 21.735 53.721 1.00145.72 N ATOM 92 CA PHE 131 -4.805 23.098 54.164 1.00145.72 C ATOM 93 CB PHE 131 -6.019 23.949 53.752 1.00145.72 C ATOM 94 CG PHE 131 -6.049 24.010 52.264 1.00145.72 C ATOM 95 CD1 PHE 131 -6.709 23.046 51.538 1.00145.72 C ATOM 96 CD2 PHE 131 -5.398 25.021 51.597 1.00145.72 C ATOM 97 CE1 PHE 131 -6.733 23.098 50.163 1.00145.72 C ATOM 98 CE2 PHE 131 -5.423 25.075 50.224 1.00145.72 C ATOM 99 CZ PHE 131 -6.094 24.116 49.505 1.00145.72 C ATOM 100 C PHE 131 -4.736 23.153 55.661 1.00145.72 C ATOM 101 O PHE 131 -5.250 22.290 56.371 1.00145.72 O ATOM 102 N SER 132 -4.062 24.202 56.169 1.00 82.42 N ATOM 103 CA SER 132 -3.892 24.456 57.569 1.00 82.42 C ATOM 104 CB SER 132 -2.949 25.640 57.829 1.00 82.42 C ATOM 105 OG SER 132 -1.696 25.406 57.209 1.00 82.42 O ATOM 106 C SER 132 -5.207 24.857 58.160 1.00 82.42 C ATOM 107 O SER 132 -5.496 24.542 59.314 1.00 82.42 O ATOM 108 N GLN 133 -6.038 25.582 57.387 1.00 50.97 N ATOM 109 CA GLN 133 -7.249 26.091 57.970 1.00 50.97 C ATOM 110 CB GLN 133 -7.209 27.619 58.152 1.00 50.97 C ATOM 111 CG GLN 133 -6.130 28.069 59.136 1.00 50.97 C ATOM 112 CD GLN 133 -5.909 29.561 58.946 1.00 50.97 C ATOM 113 OE1 GLN 133 -6.833 30.363 59.070 1.00 50.97 O ATOM 114 NE2 GLN 133 -4.644 29.942 58.620 1.00 50.97 N ATOM 115 C GLN 133 -8.420 25.772 57.094 1.00 50.97 C ATOM 116 O GLN 133 -8.302 25.691 55.872 1.00 50.97 O ATOM 117 N SER 134 -9.598 25.601 57.735 1.00 66.20 N ATOM 118 CA SER 134 -10.826 25.265 57.070 1.00 66.20 C ATOM 119 CB SER 134 -12.004 25.047 58.036 1.00 66.20 C ATOM 120 OG SER 134 -13.175 24.729 57.297 1.00 66.20 O ATOM 121 C SER 134 -11.229 26.366 56.142 1.00 66.20 C ATOM 122 O SER 134 -11.696 26.108 55.035 1.00 66.20 O ATOM 123 N SER 135 -11.054 27.629 56.565 1.00 62.16 N ATOM 124 CA SER 135 -11.484 28.737 55.761 1.00 62.16 C ATOM 125 CB SER 135 -11.203 30.093 56.426 1.00 62.16 C ATOM 126 OG SER 135 -11.637 31.147 55.581 1.00 62.16 O ATOM 127 C SER 135 -10.738 28.722 54.468 1.00 62.16 C ATOM 128 O SER 135 -11.315 28.987 53.414 1.00 62.16 O ATOM 129 N ASN 136 -9.432 28.404 54.515 1.00 36.65 N ATOM 130 CA ASN 136 -8.628 28.417 53.325 1.00 36.65 C ATOM 131 CB ASN 136 -7.145 28.122 53.599 1.00 36.65 C ATOM 132 CG ASN 136 -6.583 29.245 54.457 1.00 36.65 C ATOM 133 OD1 ASN 136 -6.850 30.422 54.223 1.00 36.65 O ATOM 134 ND2 ASN 136 -5.791 28.866 55.497 1.00 36.65 N ATOM 135 C ASN 136 -9.112 27.357 52.385 1.00 36.65 C ATOM 136 O ASN 136 -9.188 27.574 51.177 1.00 36.65 O ATOM 137 N LEU 137 -9.443 26.165 52.914 1.00 60.06 N ATOM 138 CA LEU 137 -9.882 25.103 52.057 1.00 60.06 C ATOM 139 CB LEU 137 -10.113 23.776 52.793 1.00 60.06 C ATOM 140 CG LEU 137 -10.576 22.668 51.833 1.00 60.06 C ATOM 141 CD1 LEU 137 -9.522 22.415 50.755 1.00 60.06 C ATOM 142 CD2 LEU 137 -10.949 21.389 52.589 1.00 60.06 C ATOM 143 C LEU 137 -11.186 25.504 51.441 1.00 60.06 C ATOM 144 O LEU 137 -11.455 25.223 50.273 1.00 60.06 O ATOM 145 N ASN 138 -12.030 26.196 52.223 1.00 78.65 N ATOM 146 CA ASN 138 -13.344 26.570 51.783 1.00 78.65 C ATOM 147 CB ASN 138 -14.069 27.439 52.829 1.00 78.65 C ATOM 148 CG ASN 138 -15.542 27.547 52.461 1.00 78.65 C ATOM 149 OD1 ASN 138 -16.298 26.586 52.588 1.00 78.65 O ATOM 150 ND2 ASN 138 -15.967 28.758 52.010 1.00 78.65 N ATOM 151 C ASN 138 -13.225 27.380 50.532 1.00 78.65 C ATOM 152 O ASN 138 -13.923 27.122 49.552 1.00 78.65 O ATOM 153 N GLN 139 -12.332 28.385 50.516 1.00 42.67 N ATOM 154 CA GLN 139 -12.236 29.163 49.318 1.00 42.67 C ATOM 155 CB GLN 139 -11.355 30.415 49.424 1.00 42.67 C ATOM 156 CG GLN 139 -11.338 31.173 48.094 1.00 42.67 C ATOM 157 CD GLN 139 -10.559 32.463 48.269 1.00 42.67 C ATOM 158 OE1 GLN 139 -9.728 32.815 47.432 1.00 42.67 O ATOM 159 NE2 GLN 139 -10.843 33.201 49.374 1.00 42.67 N ATOM 160 C GLN 139 -11.677 28.317 48.218 1.00 42.67 C ATOM 161 O GLN 139 -12.087 28.429 47.063 1.00 42.67 O ATOM 162 N HIS 140 -10.729 27.431 48.565 1.00 46.56 N ATOM 163 CA HIS 140 -10.062 26.617 47.596 1.00 46.56 C ATOM 164 ND1 HIS 140 -7.297 25.140 46.456 1.00 46.56 N ATOM 165 CG HIS 140 -8.356 24.775 47.259 1.00 46.56 C ATOM 166 CB HIS 140 -9.034 25.676 48.245 1.00 46.56 C ATOM 167 NE2 HIS 140 -7.767 23.020 45.969 1.00 46.56 N ATOM 168 CD2 HIS 140 -8.628 23.477 46.949 1.00 46.56 C ATOM 169 CE1 HIS 140 -6.986 24.052 45.705 1.00 46.56 C ATOM 170 C HIS 140 -11.065 25.777 46.879 1.00 46.56 C ATOM 171 O HIS 140 -11.021 25.669 45.655 1.00 46.56 O ATOM 172 N MET 141 -12.011 25.169 47.617 1.00 53.26 N ATOM 173 CA MET 141 -12.960 24.321 46.959 1.00 53.26 C ATOM 174 CB MET 141 -13.776 23.446 47.924 1.00 53.26 C ATOM 175 CG MET 141 -12.920 22.496 48.760 1.00 53.26 C ATOM 176 SD MET 141 -13.884 21.359 49.798 1.00 53.26 S ATOM 177 CE MET 141 -14.265 20.217 48.438 1.00 53.26 C ATOM 178 C MET 141 -13.947 25.191 46.195 1.00 53.26 C ATOM 179 O MET 141 -15.165 24.876 46.261 1.00 53.26 O ATOM 180 OXT MET 141 -13.506 26.164 45.528 1.00 53.26 O