EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:55 REMARK 6 MODELLER OBJECTIVE FUNCTION: 90.0020 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1199.01172 REMARK 6 GA341 score: 0.95122 REMARK 6 Normalized DOPE score: -0.77575 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 136 -9.328 14.704 49.314 1.00 28.87 N ATOM 2 CA GLU 136 -8.913 15.887 50.106 1.00 28.87 C ATOM 3 CB GLU 136 -7.490 15.704 50.665 1.00 28.87 C ATOM 4 CG GLU 136 -7.016 16.903 51.491 1.00 28.87 C ATOM 5 CD GLU 136 -5.642 16.592 52.065 1.00 28.87 C ATOM 6 OE1 GLU 136 -4.736 16.225 51.268 1.00 28.87 O ATOM 7 OE2 GLU 136 -5.478 16.719 53.306 1.00 28.87 O ATOM 8 C GLU 136 -8.932 17.142 49.298 1.00 28.87 C ATOM 9 O GLU 136 -8.876 17.107 48.067 1.00 28.87 O ATOM 10 N ARG 137 -9.047 18.297 49.981 1.00 85.53 N ATOM 11 CA ARG 137 -9.028 19.548 49.284 1.00 85.53 C ATOM 12 CB ARG 137 -10.177 20.477 49.701 1.00 85.53 C ATOM 13 CG ARG 137 -11.561 19.924 49.354 1.00 85.53 C ATOM 14 CD ARG 137 -12.714 20.799 49.851 1.00 85.53 C ATOM 15 NE ARG 137 -12.748 20.697 51.338 1.00 85.53 N ATOM 16 CZ ARG 137 -13.554 19.776 51.937 1.00 85.53 C ATOM 17 NH1 ARG 137 -14.338 18.965 51.166 1.00 85.53 N ATOM 18 NH2 ARG 137 -13.589 19.670 53.298 1.00 85.53 N ATOM 19 C ARG 137 -7.753 20.229 49.676 1.00 85.53 C ATOM 20 O ARG 137 -7.643 20.827 50.741 1.00 85.53 O ATOM 21 N PRO 138 -6.783 20.104 48.812 1.00117.59 N ATOM 22 CA PRO 138 -5.479 20.668 49.047 1.00117.59 C ATOM 23 CD PRO 138 -6.713 18.926 47.966 1.00117.59 C ATOM 24 CB PRO 138 -4.520 19.918 48.112 1.00117.59 C ATOM 25 CG PRO 138 -5.426 19.120 47.157 1.00117.59 C ATOM 26 C PRO 138 -5.355 22.158 48.957 1.00117.59 C ATOM 27 O PRO 138 -4.407 22.698 49.526 1.00117.59 O ATOM 28 N PHE 139 -6.268 22.853 48.254 1.00111.81 N ATOM 29 CA PHE 139 -6.089 24.269 48.095 1.00111.81 C ATOM 30 CB PHE 139 -6.378 24.758 46.667 1.00111.81 C ATOM 31 CG PHE 139 -5.258 24.261 45.818 1.00111.81 C ATOM 32 CD1 PHE 139 -5.308 23.002 45.264 1.00111.81 C ATOM 33 CD2 PHE 139 -4.146 25.039 45.602 1.00111.81 C ATOM 34 CE1 PHE 139 -4.277 22.539 44.483 1.00111.81 C ATOM 35 CE2 PHE 139 -3.108 24.581 44.819 1.00111.81 C ATOM 36 CZ PHE 139 -3.171 23.326 44.265 1.00111.81 C ATOM 37 C PHE 139 -7.000 24.988 49.032 1.00111.81 C ATOM 38 O PHE 139 -8.210 24.775 49.030 1.00111.81 O ATOM 39 N THR 140 -6.426 25.890 49.853 1.00 30.51 N ATOM 40 CA THR 140 -7.221 26.577 50.826 1.00 30.51 C ATOM 41 CB THR 140 -6.689 26.418 52.218 1.00 30.51 C ATOM 42 OG1 THR 140 -6.619 25.043 52.562 1.00 30.51 O ATOM 43 CG2 THR 140 -7.612 27.167 53.195 1.00 30.51 C ATOM 44 C THR 140 -7.197 28.041 50.524 1.00 30.51 C ATOM 45 O THR 140 -6.173 28.596 50.129 1.00 30.51 O ATOM 46 N CYS 141 -8.360 28.703 50.686 1.00 38.21 N ATOM 47 CA CYS 141 -8.428 30.122 50.479 1.00 38.21 C ATOM 48 CB CYS 141 -9.848 30.619 50.154 1.00 38.21 C ATOM 49 SG CYS 141 -9.939 32.414 49.878 1.00 38.21 S ATOM 50 C CYS 141 -7.995 30.765 51.761 1.00 38.21 C ATOM 51 O CYS 141 -8.492 30.438 52.836 1.00 38.21 O ATOM 52 N THR 142 -7.044 31.713 51.686 1.00106.70 N ATOM 53 CA THR 142 -6.575 32.300 52.907 1.00106.70 C ATOM 54 CB THR 142 -5.383 33.200 52.746 1.00106.70 C ATOM 55 OG1 THR 142 -4.877 33.566 54.023 1.00106.70 O ATOM 56 CG2 THR 142 -5.799 34.456 51.961 1.00106.70 C ATOM 57 C THR 142 -7.665 33.099 53.550 1.00106.70 C ATOM 58 O THR 142 -7.793 33.104 54.773 1.00106.70 O ATOM 59 N GLN 143 -8.457 33.834 52.747 1.00 96.31 N ATOM 60 CA GLN 143 -9.424 34.695 53.366 1.00 96.31 C ATOM 61 CB GLN 143 -10.095 35.633 52.348 1.00 96.31 C ATOM 62 CG GLN 143 -11.090 36.613 52.972 1.00 96.31 C ATOM 63 CD GLN 143 -10.301 37.765 53.580 1.00 96.31 C ATOM 64 OE1 GLN 143 -9.192 37.578 54.078 1.00 96.31 O ATOM 65 NE2 GLN 143 -10.879 38.994 53.530 1.00 96.31 N ATOM 66 C GLN 143 -10.525 33.938 54.061 1.00 96.31 C ATOM 67 O GLN 143 -10.695 34.075 55.271 1.00 96.31 O ATOM 68 N CYS 144 -11.301 33.128 53.307 1.00 59.25 N ATOM 69 CA CYS 144 -12.432 32.407 53.850 1.00 59.25 C ATOM 70 CB CYS 144 -13.457 31.993 52.778 1.00 59.25 C ATOM 71 SG CYS 144 -12.780 30.864 51.528 1.00 59.25 S ATOM 72 C CYS 144 -12.026 31.187 54.621 1.00 59.25 C ATOM 73 O CYS 144 -12.595 30.885 55.670 1.00 59.25 O ATOM 74 N GLY 145 -11.022 30.443 54.116 1.00 28.21 N ATOM 75 CA GLY 145 -10.592 29.242 54.772 1.00 28.21 C ATOM 76 C GLY 145 -11.226 28.054 54.111 1.00 28.21 C ATOM 77 O GLY 145 -10.979 26.918 54.517 1.00 28.21 O ATOM 78 N LYS 146 -12.059 28.266 53.070 1.00 86.37 N ATOM 79 CA LYS 146 -12.680 27.140 52.428 1.00 86.37 C ATOM 80 CB LYS 146 -13.887 27.489 51.538 1.00 86.37 C ATOM 81 CG LYS 146 -14.617 26.233 51.050 1.00 86.37 C ATOM 82 CD LYS 146 -16.013 26.473 50.471 1.00 86.37 C ATOM 83 CE LYS 146 -16.714 25.177 50.054 1.00 86.37 C ATOM 84 NZ LYS 146 -17.268 24.497 51.247 1.00 86.37 N ATOM 85 C LYS 146 -11.663 26.447 51.575 1.00 86.37 C ATOM 86 O LYS 146 -10.769 27.081 51.016 1.00 86.37 O ATOM 87 N SER 147 -11.778 25.107 51.447 1.00 55.71 N ATOM 88 CA SER 147 -10.795 24.378 50.697 1.00 55.71 C ATOM 89 CB SER 147 -10.174 23.201 51.467 1.00 55.71 C ATOM 90 OG SER 147 -9.393 23.699 52.542 1.00 55.71 O ATOM 91 C SER 147 -11.418 23.832 49.453 1.00 55.71 C ATOM 92 O SER 147 -12.625 23.600 49.394 1.00 55.71 O ATOM 93 N PHE 148 -10.583 23.622 48.411 1.00147.39 N ATOM 94 CA PHE 148 -11.080 23.164 47.147 1.00147.39 C ATOM 95 CB PHE 148 -11.020 24.251 46.056 1.00147.39 C ATOM 96 CG PHE 148 -12.019 25.293 46.423 1.00147.39 C ATOM 97 CD1 PHE 148 -11.699 26.290 47.317 1.00147.39 C ATOM 98 CD2 PHE 148 -13.283 25.266 45.882 1.00147.39 C ATOM 99 CE1 PHE 148 -12.625 27.244 47.664 1.00147.39 C ATOM 100 CE2 PHE 148 -14.213 26.220 46.223 1.00147.39 C ATOM 101 CZ PHE 148 -13.883 27.215 47.111 1.00147.39 C ATOM 102 C PHE 148 -10.260 22.012 46.668 1.00147.39 C ATOM 103 O PHE 148 -9.084 21.870 47.000 1.00147.39 O ATOM 104 N ASN 149 -10.909 21.135 45.878 1.00 97.92 N ATOM 105 CA ASN 149 -10.289 19.987 45.294 1.00 97.92 C ATOM 106 CB ASN 149 -11.310 19.018 44.670 1.00 97.92 C ATOM 107 CG ASN 149 -12.090 18.383 45.817 1.00 97.92 C ATOM 108 OD1 ASN 149 -11.510 17.939 46.807 1.00 97.92 O ATOM 109 ND2 ASN 149 -13.443 18.342 45.690 1.00 97.92 N ATOM 110 C ASN 149 -9.319 20.425 44.235 1.00 97.92 C ATOM 111 O ASN 149 -8.273 19.800 44.060 1.00 97.92 O ATOM 112 N GLN 150 -9.626 21.503 43.480 1.00 53.09 N ATOM 113 CA GLN 150 -8.701 21.861 42.437 1.00 53.09 C ATOM 114 CB GLN 150 -9.226 21.648 41.007 1.00 53.09 C ATOM 115 CG GLN 150 -9.447 20.181 40.635 1.00 53.09 C ATOM 116 CD GLN 150 -9.622 20.125 39.124 1.00 53.09 C ATOM 117 OE1 GLN 150 -9.355 21.104 38.428 1.00 53.09 O ATOM 118 NE2 GLN 150 -10.066 18.955 38.594 1.00 53.09 N ATOM 119 C GLN 150 -8.294 23.299 42.538 1.00 53.09 C ATOM 120 O GLN 150 -9.014 24.142 43.073 1.00 53.09 O ATOM 121 N SER 151 -7.094 23.591 41.993 1.00 69.69 N ATOM 122 CA SER 151 -6.474 24.885 42.003 1.00 69.69 C ATOM 123 CB SER 151 -5.074 24.869 41.358 1.00 69.69 C ATOM 124 OG SER 151 -4.496 26.166 41.388 1.00 69.69 O ATOM 125 C SER 151 -7.302 25.842 41.206 1.00 69.69 C ATOM 126 O SER 151 -7.512 26.981 41.618 1.00 69.69 O ATOM 127 N SER 152 -7.821 25.391 40.049 1.00 26.63 N ATOM 128 CA SER 152 -8.557 26.256 39.172 1.00 26.63 C ATOM 129 CB SER 152 -9.071 25.519 37.921 1.00 26.63 C ATOM 130 OG SER 152 -10.023 24.529 38.290 1.00 26.63 O ATOM 131 C SER 152 -9.746 26.791 39.899 1.00 26.63 C ATOM 132 O SER 152 -10.082 27.969 39.774 1.00 26.63 O ATOM 133 N ASN 153 -10.416 25.932 40.683 1.00 37.69 N ATOM 134 CA ASN 153 -11.606 26.333 41.372 1.00 37.69 C ATOM 135 CB ASN 153 -12.304 25.149 42.063 1.00 37.69 C ATOM 136 CG ASN 153 -12.758 24.186 40.972 1.00 37.69 C ATOM 137 OD1 ASN 153 -13.199 24.608 39.905 1.00 37.69 O ATOM 138 ND2 ASN 153 -12.637 22.856 41.237 1.00 37.69 N ATOM 139 C ASN 153 -11.268 27.364 42.407 1.00 37.69 C ATOM 140 O ASN 153 -11.985 28.350 42.565 1.00 37.69 O ATOM 141 N LEU 154 -10.155 27.171 43.135 1.00104.03 N ATOM 142 CA LEU 154 -9.815 28.093 44.179 1.00104.03 C ATOM 143 CB LEU 154 -8.560 27.654 44.956 1.00104.03 C ATOM 144 CG LEU 154 -8.135 28.602 46.095 1.00104.03 C ATOM 145 CD1 LEU 154 -7.426 29.855 45.558 1.00104.03 C ATOM 146 CD2 LEU 154 -9.323 28.947 47.005 1.00104.03 C ATOM 147 C LEU 154 -9.579 29.443 43.584 1.00104.03 C ATOM 148 O LEU 154 -10.069 30.446 44.097 1.00104.03 O ATOM 149 N ASN 155 -8.845 29.504 42.460 1.00 39.80 N ATOM 150 CA ASN 155 -8.557 30.780 41.872 1.00 39.80 C ATOM 151 CB ASN 155 -7.646 30.689 40.640 1.00 39.80 C ATOM 152 CG ASN 155 -6.215 30.569 41.141 1.00 39.80 C ATOM 153 OD1 ASN 155 -5.377 31.420 40.849 1.00 39.80 O ATOM 154 ND2 ASN 155 -5.925 29.502 41.933 1.00 39.80 N ATOM 155 C ASN 155 -9.833 31.432 41.460 1.00 39.80 C ATOM 156 O ASN 155 -10.027 32.625 41.697 1.00 39.80 O ATOM 157 N LEU 156 -10.752 30.661 40.854 1.00 37.50 N ATOM 158 CA LEU 156 -11.981 31.245 40.415 1.00 37.50 C ATOM 159 CB LEU 156 -12.900 30.200 39.746 1.00 37.50 C ATOM 160 CG LEU 156 -14.157 30.746 39.035 1.00 37.50 C ATOM 161 CD1 LEU 156 -14.970 29.596 38.414 1.00 37.50 C ATOM 162 CD2 LEU 156 -15.011 31.633 39.951 1.00 37.50 C ATOM 163 C LEU 156 -12.626 31.754 41.658 1.00 37.50 C ATOM 164 O LEU 156 -13.186 32.848 41.683 1.00 37.50 O ATOM 165 N HIS 157 -12.533 30.955 42.734 1.00 37.97 N ATOM 166 CA HIS 157 -13.077 31.337 43.996 1.00 37.97 C ATOM 167 ND1 HIS 157 -14.546 30.387 46.839 1.00 37.97 N ATOM 168 CG HIS 157 -13.246 30.656 46.460 1.00 37.97 C ATOM 169 CB HIS 157 -12.679 30.347 45.108 1.00 37.97 C ATOM 170 NE2 HIS 157 -13.552 31.317 48.598 1.00 37.97 N ATOM 171 CD2 HIS 157 -12.657 31.224 47.547 1.00 37.97 C ATOM 172 CE1 HIS 157 -14.673 30.798 48.123 1.00 37.97 C ATOM 173 C HIS 157 -12.502 32.708 44.339 1.00 37.97 C ATOM 174 O HIS 157 -13.119 33.407 45.190 1.00 37.97 O ATOM 175 OXT HIS 157 -11.444 33.078 43.763 1.00 37.97 O