EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.6171 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.870 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1405.59741 REMARK 6 GA341 score: 0.99964 REMARK 6 Normalized DOPE score: -0.40829 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 60.9% ATOM 1 N GLU 91 -7.566 45.459 53.033 1.00 24.12 N ATOM 2 CA GLU 91 -8.901 44.823 52.961 1.00 24.12 C ATOM 3 CB GLU 91 -9.360 44.688 51.498 1.00 24.12 C ATOM 4 CG GLU 91 -10.738 44.040 51.345 1.00 24.12 C ATOM 5 CD GLU 91 -11.066 43.954 49.859 1.00 24.12 C ATOM 6 OE1 GLU 91 -10.133 44.125 49.032 1.00 24.12 O ATOM 7 OE2 GLU 91 -12.260 43.712 49.533 1.00 24.12 O ATOM 8 C GLU 91 -8.879 43.456 53.555 1.00 24.12 C ATOM 9 O GLU 91 -7.866 42.759 53.501 1.00 24.12 O ATOM 10 N LYS 92 -10.007 43.047 54.166 1.00115.59 N ATOM 11 CA LYS 92 -10.087 41.730 54.724 1.00115.59 C ATOM 12 CB LYS 92 -10.363 41.733 56.237 1.00115.59 C ATOM 13 CG LYS 92 -9.214 42.334 57.049 1.00115.59 C ATOM 14 CD LYS 92 -8.982 43.816 56.752 1.00115.59 C ATOM 15 CE LYS 92 -10.107 44.725 57.244 1.00115.59 C ATOM 16 NZ LYS 92 -9.795 46.132 56.911 1.00115.59 N ATOM 17 C LYS 92 -11.248 41.065 54.060 1.00115.59 C ATOM 18 O LYS 92 -12.407 41.312 54.382 1.00115.59 O ATOM 19 N PRO 93 -10.927 40.233 53.115 1.00113.01 N ATOM 20 CA PRO 93 -11.918 39.536 52.338 1.00113.01 C ATOM 21 CD PRO 93 -9.664 40.355 52.411 1.00113.01 C ATOM 22 CB PRO 93 -11.196 39.056 51.073 1.00113.01 C ATOM 23 CG PRO 93 -9.697 39.215 51.387 1.00113.01 C ATOM 24 C PRO 93 -12.655 38.441 53.045 1.00113.01 C ATOM 25 O PRO 93 -13.728 38.069 52.576 1.00113.01 O ATOM 26 N TYR 94 -12.133 37.910 54.165 1.00 61.00 N ATOM 27 CA TYR 94 -12.784 36.755 54.716 1.00 61.00 C ATOM 28 CB TYR 94 -11.780 35.641 55.044 1.00 61.00 C ATOM 29 CG TYR 94 -11.040 35.415 53.772 1.00 61.00 C ATOM 30 CD1 TYR 94 -11.590 34.670 52.755 1.00 61.00 C ATOM 31 CD2 TYR 94 -9.791 35.964 53.596 1.00 61.00 C ATOM 32 CE1 TYR 94 -10.902 34.474 51.581 1.00 61.00 C ATOM 33 CE2 TYR 94 -9.097 35.772 52.425 1.00 61.00 C ATOM 34 CZ TYR 94 -9.654 35.025 51.416 1.00 61.00 C ATOM 35 OH TYR 94 -8.947 34.827 50.212 1.00 61.00 O ATOM 36 C TYR 94 -13.467 37.149 55.984 1.00 61.00 C ATOM 37 O TYR 94 -12.830 37.650 56.908 1.00 61.00 O ATOM 38 N ILE 95 -14.794 36.909 56.065 1.00 83.17 N ATOM 39 CA ILE 95 -15.524 37.326 57.228 1.00 83.17 C ATOM 40 CB ILE 95 -16.695 38.219 56.927 1.00 83.17 C ATOM 41 CG1 ILE 95 -17.191 38.910 58.209 1.00 83.17 C ATOM 42 CG2 ILE 95 -17.771 37.372 56.229 1.00 83.17 C ATOM 43 CD1 ILE 95 -18.195 40.031 57.941 1.00 83.17 C ATOM 44 C ILE 95 -16.072 36.128 57.937 1.00 83.17 C ATOM 45 O ILE 95 -16.526 35.168 57.317 1.00 83.17 O ATOM 46 N CYS 96 -16.000 36.166 59.283 1.00 49.90 N ATOM 47 CA CYS 96 -16.494 35.131 60.148 1.00 49.90 C ATOM 48 CB CYS 96 -15.974 35.287 61.590 1.00 49.90 C ATOM 49 SG CYS 96 -16.696 34.106 62.766 1.00 49.90 S ATOM 50 C CYS 96 -17.989 35.223 60.193 1.00 49.90 C ATOM 51 O CYS 96 -18.556 36.290 60.424 1.00 49.90 O ATOM 52 N THR 97 -18.676 34.085 59.991 1.00 37.78 N ATOM 53 CA THR 97 -20.110 34.084 59.985 1.00 37.78 C ATOM 54 CB THR 97 -20.680 32.740 59.642 1.00 37.78 C ATOM 55 OG1 THR 97 -20.209 32.319 58.371 1.00 37.78 O ATOM 56 CG2 THR 97 -22.215 32.842 59.628 1.00 37.78 C ATOM 57 C THR 97 -20.631 34.442 61.344 1.00 37.78 C ATOM 58 O THR 97 -21.594 35.200 61.465 1.00 37.78 O ATOM 59 N GLN 98 -20.042 33.862 62.410 1.00101.29 N ATOM 60 CA GLN 98 -20.579 34.098 63.723 1.00101.29 C ATOM 61 CB GLN 98 -19.968 33.147 64.770 1.00101.29 C ATOM 62 CG GLN 98 -20.533 33.317 66.184 1.00101.29 C ATOM 63 CD GLN 98 -21.888 32.626 66.230 1.00101.29 C ATOM 64 OE1 GLN 98 -22.050 31.521 65.716 1.00101.29 O ATOM 65 NE2 GLN 98 -22.894 33.295 66.856 1.00101.29 N ATOM 66 C GLN 98 -20.346 35.498 64.226 1.00101.29 C ATOM 67 O GLN 98 -21.293 36.218 64.545 1.00101.29 O ATOM 68 N CYS 99 -19.058 35.888 64.322 1.00103.35 N ATOM 69 CA CYS 99 -18.599 37.137 64.873 1.00103.35 C ATOM 70 CB CYS 99 -17.097 37.078 65.191 1.00103.35 C ATOM 71 SG CYS 99 -16.451 38.623 65.884 1.00103.35 S ATOM 72 C CYS 99 -18.809 38.296 63.951 1.00103.35 C ATOM 73 O CYS 99 -19.238 39.368 64.375 1.00103.35 O ATOM 74 N GLY 100 -18.509 38.112 62.651 1.00 25.39 N ATOM 75 CA GLY 100 -18.595 39.200 61.720 1.00 25.39 C ATOM 76 C GLY 100 -17.231 39.815 61.577 1.00 25.39 C ATOM 77 O GLY 100 -17.061 40.790 60.845 1.00 25.39 O ATOM 78 N LYS 101 -16.215 39.263 62.274 1.00 84.80 N ATOM 79 CA LYS 101 -14.877 39.787 62.190 1.00 84.80 C ATOM 80 CB LYS 101 -13.929 39.220 63.260 1.00 84.80 C ATOM 81 CG LYS 101 -12.530 39.837 63.223 1.00 84.80 C ATOM 82 CD LYS 101 -11.665 39.444 64.420 1.00 84.80 C ATOM 83 CE LYS 101 -12.277 39.832 65.764 1.00 84.80 C ATOM 84 NZ LYS 101 -11.388 39.399 66.864 1.00 84.80 N ATOM 85 C LYS 101 -14.305 39.421 60.852 1.00 84.80 C ATOM 86 O LYS 101 -14.574 38.341 60.327 1.00 84.80 O ATOM 87 N SER 102 -13.481 40.320 60.268 1.00 52.09 N ATOM 88 CA SER 102 -12.925 40.069 58.963 1.00 52.09 C ATOM 89 CB SER 102 -13.119 41.236 57.979 1.00 52.09 C ATOM 90 OG SER 102 -14.501 41.448 57.732 1.00 52.09 O ATOM 91 C SER 102 -11.445 39.853 59.089 1.00 52.09 C ATOM 92 O SER 102 -10.802 40.391 59.990 1.00 52.09 O ATOM 93 N PHE 103 -10.868 39.048 58.167 1.00144.61 N ATOM 94 CA PHE 103 -9.468 38.723 58.237 1.00144.61 C ATOM 95 CB PHE 103 -9.213 37.262 58.650 1.00144.61 C ATOM 96 CG PHE 103 -9.663 37.080 60.060 1.00144.61 C ATOM 97 CD1 PHE 103 -10.969 36.748 60.342 1.00144.61 C ATOM 98 CD2 PHE 103 -8.777 37.250 61.099 1.00144.61 C ATOM 99 CE1 PHE 103 -11.383 36.583 61.643 1.00144.61 C ATOM 100 CE2 PHE 103 -9.185 37.085 62.402 1.00144.61 C ATOM 101 CZ PHE 103 -10.490 36.750 62.675 1.00144.61 C ATOM 102 C PHE 103 -8.838 38.891 56.890 1.00144.61 C ATOM 103 O PHE 103 -9.485 38.756 55.851 1.00144.61 O ATOM 104 N SER 104 -7.531 39.217 56.897 1.00 76.70 N ATOM 105 CA SER 104 -6.764 39.388 55.701 1.00 76.70 C ATOM 106 CB SER 104 -5.379 39.997 55.963 1.00 76.70 C ATOM 107 OG SER 104 -4.681 40.128 54.735 1.00 76.70 O ATOM 108 C SER 104 -6.533 38.052 55.064 1.00 76.70 C ATOM 109 O SER 104 -6.439 37.959 53.841 1.00 76.70 O ATOM 110 N ILE 105 -6.432 36.974 55.869 1.00125.85 N ATOM 111 CA ILE 105 -6.107 35.705 55.276 1.00125.85 C ATOM 112 CB ILE 105 -4.760 35.177 55.668 1.00125.85 C ATOM 113 CG1 ILE 105 -4.384 33.972 54.788 1.00125.85 C ATOM 114 CG2 ILE 105 -4.804 34.849 57.168 1.00125.85 C ATOM 115 CD1 ILE 105 -4.176 34.336 53.319 1.00125.85 C ATOM 116 C ILE 105 -7.098 34.658 55.673 1.00125.85 C ATOM 117 O ILE 105 -7.648 34.669 56.774 1.00125.85 O ATOM 118 N SER 106 -7.331 33.706 54.746 1.00 26.96 N ATOM 119 CA SER 106 -8.255 32.624 54.932 1.00 26.96 C ATOM 120 CB SER 106 -8.389 31.738 53.680 1.00 26.96 C ATOM 121 OG SER 106 -8.905 32.497 52.596 1.00 26.96 O ATOM 122 C SER 106 -7.771 31.746 56.044 1.00 26.96 C ATOM 123 O SER 106 -8.570 31.239 56.829 1.00 26.96 O ATOM 124 N SER 107 -6.442 31.553 56.147 1.00 26.92 N ATOM 125 CA SER 107 -5.891 30.669 57.135 1.00 26.92 C ATOM 126 CB SER 107 -4.357 30.579 57.056 1.00 26.92 C ATOM 127 OG SER 107 -3.781 31.838 57.370 1.00 26.92 O ATOM 128 C SER 107 -6.234 31.169 58.500 1.00 26.92 C ATOM 129 O SER 107 -6.627 30.393 59.369 1.00 26.92 O ATOM 130 N ASN 108 -6.093 32.488 58.725 1.00 37.47 N ATOM 131 CA ASN 108 -6.361 33.048 60.018 1.00 37.47 C ATOM 132 CB ASN 108 -5.965 34.527 60.144 1.00 37.47 C ATOM 133 CG ASN 108 -4.451 34.572 60.276 1.00 37.47 C ATOM 134 OD1 ASN 108 -3.847 33.667 60.850 1.00 37.47 O ATOM 135 ND2 ASN 108 -3.824 35.652 59.740 1.00 37.47 N ATOM 136 C ASN 108 -7.815 32.931 60.335 1.00 37.47 C ATOM 137 O ASN 108 -8.182 32.673 61.480 1.00 37.47 O ATOM 138 N LEU 109 -8.687 33.117 59.328 1.00104.64 N ATOM 139 CA LEU 109 -10.096 33.069 59.583 1.00104.64 C ATOM 140 CB LEU 109 -10.921 33.324 58.304 1.00104.64 C ATOM 141 CG LEU 109 -12.420 33.645 58.512 1.00104.64 C ATOM 142 CD1 LEU 109 -13.172 33.640 57.173 1.00104.64 C ATOM 143 CD2 LEU 109 -13.092 32.769 59.580 1.00104.64 C ATOM 144 C LEU 109 -10.402 31.683 60.072 1.00104.64 C ATOM 145 O LEU 109 -11.143 31.500 61.035 1.00104.64 O ATOM 146 N ASN 110 -9.799 30.663 59.434 1.00 29.88 N ATOM 147 CA ASN 110 -10.075 29.300 59.788 1.00 29.88 C ATOM 148 CB ASN 110 -9.295 28.289 58.927 1.00 29.88 C ATOM 149 CG ASN 110 -9.930 28.280 57.542 1.00 29.88 C ATOM 150 OD1 ASN 110 -11.153 28.286 57.410 1.00 29.88 O ATOM 151 ND2 ASN 110 -9.083 28.272 56.477 1.00 29.88 N ATOM 152 C ASN 110 -9.702 29.083 61.220 1.00 29.88 C ATOM 153 O ASN 110 -10.445 28.456 61.974 1.00 29.88 O ATOM 154 N GLN 111 -8.544 29.616 61.645 1.00 21.93 N ATOM 155 CA GLN 111 -8.122 29.431 63.002 1.00 21.93 C ATOM 156 CB GLN 111 -6.788 30.124 63.309 1.00 21.93 C ATOM 157 CG GLN 111 -6.328 29.936 64.754 1.00 21.93 C ATOM 158 CD GLN 111 -5.006 30.671 64.921 1.00 21.93 C ATOM 159 OE1 GLN 111 -4.757 31.685 64.273 1.00 21.93 O ATOM 160 NE2 GLN 111 -4.130 30.144 65.819 1.00 21.93 N ATOM 161 C GLN 111 -9.141 30.073 63.881 1.00 21.93 C ATOM 162 O GLN 111 -9.522 29.524 64.914 1.00 21.93 O ATOM 163 N HIS 112 -9.620 31.260 63.470 1.00 38.83 N ATOM 164 CA HIS 112 -10.569 31.991 64.253 1.00 38.83 C ATOM 165 ND1 HIS 112 -11.438 34.888 65.562 1.00 38.83 N ATOM 166 CG HIS 112 -11.857 34.172 64.462 1.00 38.83 C ATOM 167 CB HIS 112 -10.953 33.336 63.606 1.00 38.83 C ATOM 168 NE2 HIS 112 -13.620 35.262 65.356 1.00 38.83 N ATOM 169 CD2 HIS 112 -13.194 34.411 64.352 1.00 38.83 C ATOM 170 CE1 HIS 112 -12.532 35.520 66.059 1.00 38.83 C ATOM 171 C HIS 112 -11.805 31.163 64.372 1.00 38.83 C ATOM 172 O HIS 112 -12.383 31.055 65.453 1.00 38.83 O ATOM 173 N MET 113 -12.223 30.537 63.255 1.00 80.29 N ATOM 174 CA MET 113 -13.394 29.707 63.227 1.00 80.29 C ATOM 175 CB MET 113 -13.511 28.868 61.941 1.00 80.29 C ATOM 176 CG MET 113 -13.777 29.675 60.669 1.00 80.29 C ATOM 177 SD MET 113 -15.462 30.342 60.532 1.00 80.29 S ATOM 178 CE MET 113 -15.259 31.546 61.873 1.00 80.29 C ATOM 179 C MET 113 -13.326 28.715 64.381 1.00 80.29 C ATOM 180 O MET 113 -14.394 28.132 64.708 1.00 80.29 O ATOM 181 OXT MET 113 -12.215 28.514 64.943 1.00 80.29 O