EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:40 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.5668 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1144.66138 REMARK 6 GA341 score: 0.73806 REMARK 6 Normalized DOPE score: -0.57506 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 55.0% ATOM 1 N GLU 131 -11.016 26.727 37.248 1.00 58.92 N ATOM 2 CA GLU 131 -10.696 27.906 38.082 1.00 58.92 C ATOM 3 CB GLU 131 -11.990 28.578 38.568 1.00 58.92 C ATOM 4 CG GLU 131 -12.786 29.274 37.462 1.00 58.92 C ATOM 5 CD GLU 131 -14.055 29.843 38.084 1.00 58.92 C ATOM 6 OE1 GLU 131 -14.424 29.376 39.196 1.00 58.92 O ATOM 7 OE2 GLU 131 -14.671 30.750 37.464 1.00 58.92 O ATOM 8 C GLU 131 -9.921 27.483 39.286 1.00 58.92 C ATOM 9 O GLU 131 -9.556 26.318 39.419 1.00 58.92 O ATOM 10 N LYS 132 -9.629 28.435 40.193 1.00 88.29 N ATOM 11 CA LYS 132 -8.932 28.067 41.390 1.00 88.29 C ATOM 12 CB LYS 132 -7.692 28.929 41.682 1.00 88.29 C ATOM 13 CG LYS 132 -6.558 28.785 40.663 1.00 88.29 C ATOM 14 CD LYS 132 -6.821 29.446 39.307 1.00 88.29 C ATOM 15 CE LYS 132 -5.606 29.406 38.377 1.00 88.29 C ATOM 16 NZ LYS 132 -5.837 30.290 37.215 1.00 88.29 N ATOM 17 C LYS 132 -9.883 28.278 42.525 1.00 88.29 C ATOM 18 O LYS 132 -10.179 29.397 42.938 1.00 88.29 O ATOM 19 N PRO 133 -10.372 27.178 43.008 1.00123.20 N ATOM 20 CA PRO 133 -11.317 27.176 44.088 1.00123.20 C ATOM 21 CD PRO 133 -10.525 26.015 42.155 1.00123.20 C ATOM 22 CB PRO 133 -11.979 25.794 44.066 1.00123.20 C ATOM 23 CG PRO 133 -11.133 24.961 43.084 1.00123.20 C ATOM 24 C PRO 133 -10.745 27.545 45.419 1.00123.20 C ATOM 25 O PRO 133 -11.517 27.910 46.305 1.00123.20 O ATOM 26 N TYR 134 -9.415 27.477 45.607 1.00119.99 N ATOM 27 CA TYR 134 -8.929 27.730 46.933 1.00119.99 C ATOM 28 CB TYR 134 -7.887 26.699 47.396 1.00119.99 C ATOM 29 CG TYR 134 -8.598 25.397 47.543 1.00119.99 C ATOM 30 CD1 TYR 134 -8.704 24.537 46.476 1.00119.99 C ATOM 31 CD2 TYR 134 -9.171 25.045 48.744 1.00119.99 C ATOM 32 CE1 TYR 134 -9.361 23.336 46.605 1.00119.99 C ATOM 33 CE2 TYR 134 -9.828 23.844 48.881 1.00119.99 C ATOM 34 CZ TYR 134 -9.926 22.989 47.810 1.00119.99 C ATOM 35 OH TYR 134 -10.600 21.758 47.947 1.00119.99 O ATOM 36 C TYR 134 -8.293 29.080 46.966 1.00119.99 C ATOM 37 O TYR 134 -7.394 29.377 46.180 1.00119.99 O ATOM 38 N SER 135 -8.761 29.947 47.891 1.00 75.55 N ATOM 39 CA SER 135 -8.228 31.277 47.955 1.00 75.55 C ATOM 40 CB SER 135 -9.292 32.369 47.764 1.00 75.55 C ATOM 41 OG SER 135 -10.220 32.341 48.839 1.00 75.55 O ATOM 42 C SER 135 -7.591 31.501 49.291 1.00 75.55 C ATOM 43 O SER 135 -8.062 31.014 50.318 1.00 75.55 O ATOM 44 N CYS 136 -6.468 32.248 49.283 1.00 39.61 N ATOM 45 CA CYS 136 -5.730 32.581 50.470 1.00 39.61 C ATOM 46 CB CYS 136 -4.299 33.076 50.170 1.00 39.61 C ATOM 47 SG CYS 136 -3.353 33.502 51.664 1.00 39.61 S ATOM 48 C CYS 136 -6.445 33.708 51.144 1.00 39.61 C ATOM 49 O CYS 136 -6.826 34.691 50.513 1.00 39.61 O ATOM 50 N THR 137 -6.638 33.598 52.470 1.00 38.53 N ATOM 51 CA THR 137 -7.339 34.632 53.172 1.00 38.53 C ATOM 52 CB THR 137 -7.588 34.295 54.613 1.00 38.53 C ATOM 53 OG1 THR 137 -8.360 33.107 54.715 1.00 38.53 O ATOM 54 CG2 THR 137 -8.331 35.473 55.261 1.00 38.53 C ATOM 55 C THR 137 -6.547 35.905 53.147 1.00 38.53 C ATOM 56 O THR 137 -7.104 36.985 52.952 1.00 38.53 O ATOM 57 N GLU 138 -5.226 35.814 53.388 1.00 95.12 N ATOM 58 CA GLU 138 -4.433 37.006 53.490 1.00 95.12 C ATOM 59 CB GLU 138 -3.059 36.697 54.116 1.00 95.12 C ATOM 60 CG GLU 138 -3.196 36.242 55.574 1.00 95.12 C ATOM 61 CD GLU 138 -1.870 35.696 56.087 1.00 95.12 C ATOM 62 OE1 GLU 138 -0.931 35.553 55.259 1.00 95.12 O ATOM 63 OE2 GLU 138 -1.779 35.419 57.314 1.00 95.12 O ATOM 64 C GLU 138 -4.236 37.712 52.174 1.00 95.12 C ATOM 65 O GLU 138 -4.603 38.880 52.037 1.00 95.12 O ATOM 66 N CYS 139 -3.649 37.005 51.185 1.00107.95 N ATOM 67 CA CYS 139 -3.309 37.511 49.876 1.00107.95 C ATOM 68 CB CYS 139 -2.311 36.610 49.136 1.00107.95 C ATOM 69 SG CYS 139 -1.951 37.237 47.472 1.00107.95 S ATOM 70 C CYS 139 -4.504 37.656 48.981 1.00107.95 C ATOM 71 O CYS 139 -4.585 38.602 48.200 1.00107.95 O ATOM 72 N VAL 140 -5.475 36.724 49.092 1.00181.29 N ATOM 73 CA VAL 140 -6.633 36.649 48.242 1.00181.29 C ATOM 74 CB VAL 140 -7.261 38.012 48.049 1.00181.29 C ATOM 75 CG1 VAL 140 -8.497 37.932 47.137 1.00181.29 C ATOM 76 CG2 VAL 140 -7.572 38.574 49.444 1.00181.29 C ATOM 77 C VAL 140 -6.212 36.034 46.923 1.00181.29 C ATOM 78 O VAL 140 -6.948 36.040 45.937 1.00181.29 O ATOM 79 N MET 141 -5.013 35.412 46.879 1.00 87.83 N ATOM 80 CA MET 141 -4.564 34.739 45.688 1.00 87.83 C ATOM 81 CB MET 141 -3.034 34.551 45.665 1.00 87.83 C ATOM 82 CG MET 141 -2.472 33.847 44.430 1.00 87.83 C ATOM 83 SD MET 141 -0.669 34.016 44.233 1.00 87.83 S ATOM 84 CE MET 141 -0.239 33.305 45.847 1.00 87.83 C ATOM 85 C MET 141 -5.237 33.397 45.657 1.00 87.83 C ATOM 86 O MET 141 -5.500 32.809 46.704 1.00 87.83 O ATOM 87 N SER 142 -5.537 32.872 44.445 1.00 45.70 N ATOM 88 CA SER 142 -6.253 31.626 44.358 1.00 45.70 C ATOM 89 CB SER 142 -7.502 31.695 43.461 1.00 45.70 C ATOM 90 OG SER 142 -8.445 32.616 43.990 1.00 45.70 O ATOM 91 C SER 142 -5.361 30.560 43.794 1.00 45.70 C ATOM 92 O SER 142 -4.416 30.841 43.058 1.00 45.70 O ATOM 93 N PHE 143 -5.650 29.286 44.143 1.00 55.87 N ATOM 94 CA PHE 143 -4.829 28.188 43.702 1.00 55.87 C ATOM 95 CB PHE 143 -4.011 27.551 44.840 1.00 55.87 C ATOM 96 CG PHE 143 -3.028 28.571 45.298 1.00 55.87 C ATOM 97 CD1 PHE 143 -1.785 28.649 44.713 1.00 55.87 C ATOM 98 CD2 PHE 143 -3.353 29.456 46.301 1.00 55.87 C ATOM 99 CE1 PHE 143 -0.871 29.589 45.128 1.00 55.87 C ATOM 100 CE2 PHE 143 -2.445 30.396 46.720 1.00 55.87 C ATOM 101 CZ PHE 143 -1.204 30.464 46.133 1.00 55.87 C ATOM 102 C PHE 143 -5.695 27.104 43.136 1.00 55.87 C ATOM 103 O PHE 143 -6.862 26.954 43.494 1.00 55.87 O ATOM 104 N SER 144 -5.118 26.328 42.199 1.00 32.39 N ATOM 105 CA SER 144 -5.786 25.228 41.570 1.00 32.39 C ATOM 106 CB SER 144 -4.994 24.665 40.379 1.00 32.39 C ATOM 107 OG SER 144 -3.750 24.147 40.826 1.00 32.39 O ATOM 108 C SER 144 -5.957 24.111 42.558 1.00 32.39 C ATOM 109 O SER 144 -6.945 23.380 42.502 1.00 32.39 O ATOM 110 N GLY 145 -5.005 23.949 43.501 1.00 24.20 N ATOM 111 CA GLY 145 -5.106 22.819 44.382 1.00 24.20 C ATOM 112 C GLY 145 -5.036 23.260 45.811 1.00 24.20 C ATOM 113 O GLY 145 -4.366 24.234 46.155 1.00 24.20 O ATOM 114 N LYS 146 -5.732 22.505 46.686 1.00 42.92 N ATOM 115 CA LYS 146 -5.825 22.792 48.088 1.00 42.92 C ATOM 116 CB LYS 146 -6.793 21.853 48.828 1.00 42.92 C ATOM 117 CG LYS 146 -7.078 22.284 50.269 1.00 42.92 C ATOM 118 CD LYS 146 -8.312 21.606 50.871 1.00 42.92 C ATOM 119 CE LYS 146 -8.610 22.046 52.305 1.00 42.92 C ATOM 120 NZ LYS 146 -9.878 21.445 52.769 1.00 42.92 N ATOM 121 C LYS 146 -4.482 22.654 48.728 1.00 42.92 C ATOM 122 O LYS 146 -4.110 23.460 49.579 1.00 42.92 O ATOM 123 N GLN 147 -3.714 21.626 48.327 1.00 76.03 N ATOM 124 CA GLN 147 -2.444 21.391 48.945 1.00 76.03 C ATOM 125 CB GLN 147 -1.742 20.134 48.411 1.00 76.03 C ATOM 126 CG GLN 147 -2.501 18.841 48.710 1.00 76.03 C ATOM 127 CD GLN 147 -1.619 17.691 48.256 1.00 76.03 C ATOM 128 OE1 GLN 147 -2.101 16.676 47.755 1.00 76.03 O ATOM 129 NE2 GLN 147 -0.283 17.850 48.451 1.00 76.03 N ATOM 130 C GLN 147 -1.561 22.570 48.686 1.00 76.03 C ATOM 131 O GLN 147 -0.830 23.011 49.571 1.00 76.03 O ATOM 132 N LYS 148 -1.611 23.130 47.462 1.00 53.72 N ATOM 133 CA LYS 148 -0.756 24.247 47.175 1.00 53.72 C ATOM 134 CB LYS 148 -0.908 24.831 45.758 1.00 53.72 C ATOM 135 CG LYS 148 -0.305 23.989 44.637 1.00 53.72 C ATOM 136 CD LYS 148 -0.500 24.635 43.265 1.00 53.72 C ATOM 137 CE LYS 148 0.150 23.875 42.107 1.00 53.72 C ATOM 138 NZ LYS 148 -0.876 23.093 41.376 1.00 53.72 N ATOM 139 C LYS 148 -1.120 25.367 48.090 1.00 53.72 C ATOM 140 O LYS 148 -0.245 26.070 48.595 1.00 53.72 O ATOM 141 N LEU 149 -2.430 25.552 48.341 1.00 94.65 N ATOM 142 CA LEU 149 -2.868 26.671 49.122 1.00 94.65 C ATOM 143 CB LEU 149 -4.397 26.663 49.337 1.00 94.65 C ATOM 144 CG LEU 149 -5.018 27.969 49.890 1.00 94.65 C ATOM 145 CD1 LEU 149 -6.501 27.761 50.219 1.00 94.65 C ATOM 146 CD2 LEU 149 -4.245 28.566 51.074 1.00 94.65 C ATOM 147 C LEU 149 -2.212 26.537 50.455 1.00 94.65 C ATOM 148 O LEU 149 -1.655 27.495 50.989 1.00 94.65 O ATOM 149 N GLU 150 -2.246 25.322 51.022 1.00 67.63 N ATOM 150 CA GLU 150 -1.632 25.126 52.296 1.00 67.63 C ATOM 151 CB GLU 150 -2.190 23.905 53.045 1.00 67.63 C ATOM 152 CG GLU 150 -2.006 22.584 52.295 1.00 67.63 C ATOM 153 CD GLU 150 -2.779 21.512 53.046 1.00 67.63 C ATOM 154 OE1 GLU 150 -4.001 21.722 53.274 1.00 67.63 O ATOM 155 OE2 GLU 150 -2.158 20.474 53.400 1.00 67.63 O ATOM 156 C GLU 150 -0.145 24.919 52.046 1.00 67.63 C ATOM 157 O GLU 150 0.362 25.498 51.049 1.00 67.63 O ATOM 158 OXT GLU 150 0.503 24.194 52.849 1.00 67.63 O