EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.7304 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.143 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1130.82312 REMARK 6 GA341 score: 0.97991 REMARK 6 Normalized DOPE score: -0.94136 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 57.1% ATOM 1 N GLU 119 -20.136 27.421 55.506 1.00 61.62 N ATOM 2 CA GLU 119 -20.193 28.903 55.539 1.00 61.62 C ATOM 3 CB GLU 119 -21.353 29.385 56.422 1.00 61.62 C ATOM 4 CG GLU 119 -21.194 28.945 57.878 1.00 61.62 C ATOM 5 CD GLU 119 -22.214 29.688 58.724 1.00 61.62 C ATOM 6 OE1 GLU 119 -22.129 30.944 58.770 1.00 61.62 O ATOM 7 OE2 GLU 119 -23.089 29.015 59.332 1.00 61.62 O ATOM 8 C GLU 119 -18.937 29.452 56.131 1.00 61.62 C ATOM 9 O GLU 119 -18.132 28.708 56.689 1.00 61.62 O ATOM 10 N LYS 120 -18.727 30.777 56.004 1.00 55.01 N ATOM 11 CA LYS 120 -17.566 31.381 56.587 1.00 55.01 C ATOM 12 CB LYS 120 -16.742 32.184 55.568 1.00 55.01 C ATOM 13 CG LYS 120 -16.179 31.289 54.460 1.00 55.01 C ATOM 14 CD LYS 120 -15.673 32.043 53.228 1.00 55.01 C ATOM 15 CE LYS 120 -15.243 31.112 52.093 1.00 55.01 C ATOM 16 NZ LYS 120 -14.738 31.912 50.958 1.00 55.01 N ATOM 17 C LYS 120 -18.073 32.320 57.627 1.00 55.01 C ATOM 18 O LYS 120 -18.358 33.490 57.379 1.00 55.01 O ATOM 19 N PRO 121 -18.198 31.785 58.800 1.00114.11 N ATOM 20 CA PRO 121 -18.727 32.497 59.925 1.00114.11 C ATOM 21 CD PRO 121 -18.175 30.349 59.006 1.00114.11 C ATOM 22 CB PRO 121 -19.049 31.434 60.979 1.00114.11 C ATOM 23 CG PRO 121 -18.255 30.195 60.535 1.00114.11 C ATOM 24 C PRO 121 -17.850 33.577 60.462 1.00114.11 C ATOM 25 O PRO 121 -18.379 34.482 61.101 1.00114.11 O ATOM 26 N PHE 122 -16.523 33.523 60.240 1.00 59.88 N ATOM 27 CA PHE 122 -15.709 34.493 60.911 1.00 59.88 C ATOM 28 CB PHE 122 -14.438 33.886 61.521 1.00 59.88 C ATOM 29 CG PHE 122 -14.952 32.939 62.549 1.00 59.88 C ATOM 30 CD1 PHE 122 -15.405 33.399 63.764 1.00 59.88 C ATOM 31 CD2 PHE 122 -14.990 31.587 62.298 1.00 59.88 C ATOM 32 CE1 PHE 122 -15.886 32.525 64.710 1.00 59.88 C ATOM 33 CE2 PHE 122 -15.469 30.707 63.239 1.00 59.88 C ATOM 34 CZ PHE 122 -15.919 31.175 64.451 1.00 59.88 C ATOM 35 C PHE 122 -15.333 35.571 59.960 1.00 59.88 C ATOM 36 O PHE 122 -14.861 35.314 58.855 1.00 59.88 O ATOM 37 N THR 123 -15.532 36.831 60.389 1.00 98.80 N ATOM 38 CA THR 123 -15.273 37.922 59.505 1.00 98.80 C ATOM 39 CB THR 123 -16.469 38.799 59.295 1.00 98.80 C ATOM 40 OG1 THR 123 -16.228 39.699 58.224 1.00 98.80 O ATOM 41 CG2 THR 123 -16.730 39.578 60.598 1.00 98.80 C ATOM 42 C THR 123 -14.201 38.788 60.091 1.00 98.80 C ATOM 43 O THR 123 -14.129 38.990 61.303 1.00 98.80 O ATOM 44 N CYS 124 -13.323 39.306 59.206 1.00 45.49 N ATOM 45 CA CYS 124 -12.277 40.204 59.605 1.00 45.49 C ATOM 46 CB CYS 124 -11.285 40.513 58.467 1.00 45.49 C ATOM 47 SG CYS 124 -9.959 41.652 58.954 1.00 45.49 S ATOM 48 C CYS 124 -12.933 41.495 59.971 1.00 45.49 C ATOM 49 O CYS 124 -13.720 42.042 59.199 1.00 45.49 O ATOM 50 N THR 125 -12.616 42.022 61.167 1.00109.28 N ATOM 51 CA THR 125 -13.225 43.241 61.602 1.00109.28 C ATOM 52 CB THR 125 -12.858 43.576 63.022 1.00109.28 C ATOM 53 OG1 THR 125 -13.545 44.743 63.446 1.00109.28 O ATOM 54 CG2 THR 125 -11.334 43.753 63.136 1.00109.28 C ATOM 55 C THR 125 -12.808 44.365 60.704 1.00109.28 C ATOM 56 O THR 125 -13.641 45.168 60.281 1.00109.28 O ATOM 57 N GLN 126 -11.495 44.473 60.414 1.00147.80 N ATOM 58 CA GLN 126 -11.014 45.574 59.624 1.00147.80 C ATOM 59 CB GLN 126 -9.479 45.681 59.678 1.00147.80 C ATOM 60 CG GLN 126 -8.918 45.965 61.078 1.00147.80 C ATOM 61 CD GLN 126 -9.166 47.430 61.397 1.00147.80 C ATOM 62 OE1 GLN 126 -8.359 48.294 61.063 1.00147.80 O ATOM 63 NE2 GLN 126 -10.319 47.720 62.057 1.00147.80 N ATOM 64 C GLN 126 -11.380 45.474 58.171 1.00147.80 C ATOM 65 O GLN 126 -12.039 46.361 57.627 1.00147.80 O ATOM 66 N CYS 127 -10.933 44.374 57.523 1.00 95.80 N ATOM 67 CA CYS 127 -11.062 44.122 56.108 1.00 95.80 C ATOM 68 CB CYS 127 -10.138 42.992 55.631 1.00 95.80 C ATOM 69 SG CYS 127 -10.342 42.648 53.861 1.00 95.80 S ATOM 70 C CYS 127 -12.447 43.752 55.676 1.00 95.80 C ATOM 71 O CYS 127 -12.934 44.245 54.661 1.00 95.80 O ATOM 72 N GLY 128 -13.125 42.861 56.424 1.00 25.55 N ATOM 73 CA GLY 128 -14.436 42.433 56.018 1.00 25.55 C ATOM 74 C GLY 128 -14.354 41.104 55.309 1.00 25.55 C ATOM 75 O GLY 128 -15.377 40.545 54.913 1.00 25.55 O ATOM 76 N LYS 129 -13.141 40.549 55.118 1.00 90.94 N ATOM 77 CA LYS 129 -13.043 39.272 54.463 1.00 90.94 C ATOM 78 CB LYS 129 -11.613 38.962 53.978 1.00 90.94 C ATOM 79 CG LYS 129 -11.473 37.616 53.263 1.00 90.94 C ATOM 80 CD LYS 129 -10.206 37.514 52.406 1.00 90.94 C ATOM 81 CE LYS 129 -8.995 38.240 52.995 1.00 90.94 C ATOM 82 NZ LYS 129 -7.797 37.993 52.157 1.00 90.94 N ATOM 83 C LYS 129 -13.496 38.204 55.429 1.00 90.94 C ATOM 84 O LYS 129 -13.257 38.299 56.634 1.00 90.94 O ATOM 85 N CYS 130 -14.180 37.151 54.917 1.00 91.38 N ATOM 86 CA CYS 130 -14.698 36.114 55.781 1.00 91.38 C ATOM 87 CB CYS 130 -16.187 35.811 55.555 1.00 91.38 C ATOM 88 SG CYS 130 -16.539 35.229 53.867 1.00 91.38 S ATOM 89 C CYS 130 -13.955 34.828 55.554 1.00 91.38 C ATOM 90 O CYS 130 -13.478 34.557 54.455 1.00 91.38 O ATOM 91 N PHE 131 -13.853 33.988 56.611 1.00138.46 N ATOM 92 CA PHE 131 -13.107 32.760 56.515 1.00138.46 C ATOM 93 CB PHE 131 -11.768 32.804 57.274 1.00138.46 C ATOM 94 CG PHE 131 -10.877 33.793 56.603 1.00138.46 C ATOM 95 CD1 PHE 131 -10.947 35.127 56.934 1.00138.46 C ATOM 96 CD2 PHE 131 -9.982 33.391 55.637 1.00138.46 C ATOM 97 CE1 PHE 131 -10.130 36.050 56.325 1.00138.46 C ATOM 98 CE2 PHE 131 -9.161 34.310 55.024 1.00138.46 C ATOM 99 CZ PHE 131 -9.238 35.639 55.364 1.00138.46 C ATOM 100 C PHE 131 -13.892 31.638 57.129 1.00138.46 C ATOM 101 O PHE 131 -14.774 31.847 57.958 1.00138.46 O ATOM 102 N SER 132 -13.578 30.400 56.694 1.00 82.94 N ATOM 103 CA SER 132 -14.199 29.198 57.168 1.00 82.94 C ATOM 104 CB SER 132 -13.791 27.974 56.334 1.00 82.94 C ATOM 105 OG SER 132 -14.243 28.131 54.998 1.00 82.94 O ATOM 106 C SER 132 -13.782 28.927 58.584 1.00 82.94 C ATOM 107 O SER 132 -14.575 28.434 59.385 1.00 82.94 O ATOM 108 N GLN 133 -12.520 29.240 58.939 1.00 52.88 N ATOM 109 CA GLN 133 -12.081 28.912 60.267 1.00 52.88 C ATOM 110 CB GLN 133 -10.943 27.882 60.319 1.00 52.88 C ATOM 111 CG GLN 133 -11.330 26.489 59.821 1.00 52.88 C ATOM 112 CD GLN 133 -10.121 25.588 60.036 1.00 52.88 C ATOM 113 OE1 GLN 133 -9.597 24.993 59.096 1.00 52.88 O ATOM 114 NE2 GLN 133 -9.656 25.488 61.310 1.00 52.88 N ATOM 115 C GLN 133 -11.544 30.126 60.955 1.00 52.88 C ATOM 116 O GLN 133 -11.013 31.040 60.326 1.00 52.88 O ATOM 117 N SER 134 -11.677 30.145 62.300 1.00 66.13 N ATOM 118 CA SER 134 -11.183 31.214 63.121 1.00 66.13 C ATOM 119 CB SER 134 -11.549 31.044 64.603 1.00 66.13 C ATOM 120 OG SER 134 -11.013 32.124 65.354 1.00 66.13 O ATOM 121 C SER 134 -9.689 31.231 63.036 1.00 66.13 C ATOM 122 O SER 134 -9.071 32.295 62.981 1.00 66.13 O ATOM 123 N SER 135 -9.066 30.039 63.008 1.00 67.59 N ATOM 124 CA SER 135 -7.634 29.958 62.985 1.00 67.59 C ATOM 125 CB SER 135 -7.112 28.511 62.964 1.00 67.59 C ATOM 126 OG SER 135 -7.455 27.846 64.170 1.00 67.59 O ATOM 127 C SER 135 -7.151 30.613 61.735 1.00 67.59 C ATOM 128 O SER 135 -6.159 31.339 61.747 1.00 67.59 O ATOM 129 N ASN 136 -7.858 30.386 60.616 1.00 29.89 N ATOM 130 CA ASN 136 -7.426 30.958 59.375 1.00 29.89 C ATOM 131 CB ASN 136 -8.300 30.552 58.175 1.00 29.89 C ATOM 132 CG ASN 136 -8.028 29.088 57.865 1.00 29.89 C ATOM 133 OD1 ASN 136 -6.900 28.620 58.003 1.00 29.89 O ATOM 134 ND2 ASN 136 -9.079 28.341 57.428 1.00 29.89 N ATOM 135 C ASN 136 -7.512 32.445 59.485 1.00 29.89 C ATOM 136 O ASN 136 -6.642 33.167 59.001 1.00 29.89 O ATOM 137 N LEU 137 -8.574 32.946 60.140 1.00103.28 N ATOM 138 CA LEU 137 -8.770 34.361 60.227 1.00103.28 C ATOM 139 CB LEU 137 -10.088 34.723 60.936 1.00103.28 C ATOM 140 CG LEU 137 -10.365 36.233 61.064 1.00103.28 C ATOM 141 CD1 LEU 137 -9.494 36.893 62.143 1.00103.28 C ATOM 142 CD2 LEU 137 -10.254 36.941 59.709 1.00103.28 C ATOM 143 C LEU 137 -7.624 34.954 60.980 1.00103.28 C ATOM 144 O LEU 137 -7.105 36.000 60.595 1.00103.28 O ATOM 145 N ASN 138 -7.193 34.311 62.082 1.00 35.25 N ATOM 146 CA ASN 138 -6.117 34.889 62.836 1.00 35.25 C ATOM 147 CB ASN 138 -5.746 34.103 64.108 1.00 35.25 C ATOM 148 CG ASN 138 -6.712 34.483 65.221 1.00 35.25 C ATOM 149 OD1 ASN 138 -7.043 35.653 65.401 1.00 35.25 O ATOM 150 ND2 ASN 138 -7.166 33.473 66.009 1.00 35.25 N ATOM 151 C ASN 138 -4.891 34.950 61.988 1.00 35.25 C ATOM 152 O ASN 138 -4.228 35.984 61.926 1.00 35.25 O ATOM 153 N GLN 139 -4.566 33.852 61.282 1.00 65.62 N ATOM 154 CA GLN 139 -3.338 33.863 60.544 1.00 65.62 C ATOM 155 CB GLN 139 -2.827 32.459 60.155 1.00 65.62 C ATOM 156 CG GLN 139 -3.711 31.688 59.173 1.00 65.62 C ATOM 157 CD GLN 139 -3.026 30.351 58.913 1.00 65.62 C ATOM 158 OE1 GLN 139 -1.982 30.056 59.490 1.00 65.62 O ATOM 159 NE2 GLN 139 -3.619 29.518 58.017 1.00 65.62 N ATOM 160 C GLN 139 -3.512 34.679 59.274 1.00 65.62 C ATOM 161 O GLN 139 -4.362 34.285 58.433 1.00 65.62 O ATOM 162 OXT GLN 139 -2.787 35.697 59.117 1.00 65.62 O