EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:15 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.3233 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1381.92480 REMARK 6 GA341 score: 0.98610 REMARK 6 Normalized DOPE score: -0.74854 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 98 0.743 21.836 48.452 1.00 55.07 N ATOM 2 CA GLU 98 0.209 23.058 49.086 1.00 55.07 C ATOM 3 CB GLU 98 -0.731 23.781 48.105 1.00 55.07 C ATOM 4 CG GLU 98 -1.925 22.926 47.673 1.00 55.07 C ATOM 5 CD GLU 98 -2.752 23.738 46.688 1.00 55.07 C ATOM 6 OE1 GLU 98 -2.158 24.592 45.977 1.00 55.07 O ATOM 7 OE2 GLU 98 -3.990 23.515 46.634 1.00 55.07 O ATOM 8 C GLU 98 -0.548 22.707 50.325 1.00 55.07 C ATOM 9 O GLU 98 -0.162 21.803 51.065 1.00 55.07 O ATOM 10 N LYS 99 -1.645 23.439 50.591 1.00139.44 N ATOM 11 CA LYS 99 -2.451 23.152 51.740 1.00139.44 C ATOM 12 CB LYS 99 -2.858 24.428 52.496 1.00139.44 C ATOM 13 CG LYS 99 -3.254 25.596 51.582 1.00139.44 C ATOM 14 CD LYS 99 -2.101 26.253 50.816 1.00139.44 C ATOM 15 CE LYS 99 -2.520 27.534 50.085 1.00139.44 C ATOM 16 NZ LYS 99 -1.322 28.266 49.617 1.00139.44 N ATOM 17 C LYS 99 -3.696 22.474 51.257 1.00139.44 C ATOM 18 O LYS 99 -4.679 23.112 50.879 1.00139.44 O ATOM 19 N PRO 100 -3.645 21.172 51.273 1.00121.02 N ATOM 20 CA PRO 100 -4.689 20.289 50.815 1.00121.02 C ATOM 21 CD PRO 100 -2.519 20.454 51.843 1.00121.02 C ATOM 22 CB PRO 100 -4.086 18.886 50.879 1.00121.02 C ATOM 23 CG PRO 100 -3.007 19.003 51.971 1.00121.02 C ATOM 24 C PRO 100 -5.964 20.330 51.602 1.00121.02 C ATOM 25 O PRO 100 -6.997 19.947 51.056 1.00121.02 O ATOM 26 N TYR 101 -5.941 20.759 52.877 1.00 61.64 N ATOM 27 CA TYR 101 -7.138 20.643 53.660 1.00 61.64 C ATOM 28 CB TYR 101 -6.886 19.973 55.022 1.00 61.64 C ATOM 29 CG TYR 101 -6.384 18.600 54.729 1.00 61.64 C ATOM 30 CD1 TYR 101 -7.261 17.565 54.503 1.00 61.64 C ATOM 31 CD2 TYR 101 -5.032 18.347 54.675 1.00 61.64 C ATOM 32 CE1 TYR 101 -6.796 16.300 54.227 1.00 61.64 C ATOM 33 CE2 TYR 101 -4.559 17.085 54.399 1.00 61.64 C ATOM 34 CZ TYR 101 -5.445 16.060 54.173 1.00 61.64 C ATOM 35 OH TYR 101 -4.967 14.764 53.886 1.00 61.64 O ATOM 36 C TYR 101 -7.674 22.011 53.909 1.00 61.64 C ATOM 37 O TYR 101 -6.984 22.879 54.440 1.00 61.64 O ATOM 38 N THR 102 -8.951 22.229 53.533 1.00102.36 N ATOM 39 CA THR 102 -9.526 23.535 53.655 1.00102.36 C ATOM 40 CB THR 102 -10.093 24.044 52.368 1.00102.36 C ATOM 41 OG1 THR 102 -10.569 25.370 52.536 1.00102.36 O ATOM 42 CG2 THR 102 -11.242 23.116 51.943 1.00102.36 C ATOM 43 C THR 102 -10.668 23.506 54.617 1.00102.36 C ATOM 44 O THR 102 -11.462 22.567 54.634 1.00102.36 O ATOM 45 N CYS 103 -10.765 24.564 55.450 1.00 47.01 N ATOM 46 CA CYS 103 -11.846 24.701 56.384 1.00 47.01 C ATOM 47 CB CYS 103 -11.579 25.747 57.480 1.00 47.01 C ATOM 48 SG CYS 103 -12.941 25.882 58.675 1.00 47.01 S ATOM 49 C CYS 103 -13.047 25.150 55.613 1.00 47.01 C ATOM 50 O CYS 103 -13.004 26.104 54.838 1.00 47.01 O ATOM 51 N GLU 104 -14.175 24.458 55.832 1.00 78.49 N ATOM 52 CA GLU 104 -15.363 24.748 55.093 1.00 78.49 C ATOM 53 CB GLU 104 -16.493 23.771 55.444 1.00 78.49 C ATOM 54 CG GLU 104 -17.681 23.799 54.484 1.00 78.49 C ATOM 55 CD GLU 104 -18.656 22.734 54.964 1.00 78.49 C ATOM 56 OE1 GLU 104 -18.360 22.098 56.010 1.00 78.49 O ATOM 57 OE2 GLU 104 -19.702 22.537 54.291 1.00 78.49 O ATOM 58 C GLU 104 -15.835 26.132 55.399 1.00 78.49 C ATOM 59 O GLU 104 -16.202 26.874 54.487 1.00 78.49 O ATOM 60 N GLN 105 -15.883 26.515 56.690 1.00159.40 N ATOM 61 CA GLN 105 -16.422 27.817 56.966 1.00159.40 C ATOM 62 CB GLN 105 -16.835 28.006 58.430 1.00159.40 C ATOM 63 CG GLN 105 -18.069 27.177 58.785 1.00159.40 C ATOM 64 CD GLN 105 -19.216 27.631 57.881 1.00159.40 C ATOM 65 OE1 GLN 105 -20.200 26.915 57.695 1.00159.40 O ATOM 66 NE2 GLN 105 -19.091 28.850 57.292 1.00159.40 N ATOM 67 C GLN 105 -15.526 28.970 56.608 1.00159.40 C ATOM 68 O GLN 105 -15.932 29.851 55.852 1.00159.40 O ATOM 69 N CYS 106 -14.296 29.007 57.169 1.00 58.48 N ATOM 70 CA CYS 106 -13.402 30.117 56.952 1.00 58.48 C ATOM 71 CB CYS 106 -12.292 30.224 58.014 1.00 58.48 C ATOM 72 SG CYS 106 -11.228 28.756 58.096 1.00 58.48 S ATOM 73 C CYS 106 -12.767 30.081 55.595 1.00 58.48 C ATOM 74 O CYS 106 -12.631 31.108 54.932 1.00 58.48 O ATOM 75 N GLY 107 -12.359 28.886 55.131 1.00 28.41 N ATOM 76 CA GLY 107 -11.713 28.813 53.854 1.00 28.41 C ATOM 77 C GLY 107 -10.225 28.802 54.063 1.00 28.41 C ATOM 78 O GLY 107 -9.463 28.806 53.096 1.00 28.41 O ATOM 79 N LYS 108 -9.773 28.787 55.334 1.00146.24 N ATOM 80 CA LYS 108 -8.369 28.764 55.652 1.00146.24 C ATOM 81 CB LYS 108 -8.115 29.073 57.143 1.00146.24 C ATOM 82 CG LYS 108 -6.712 29.586 57.482 1.00146.24 C ATOM 83 CD LYS 108 -5.581 28.573 57.330 1.00146.24 C ATOM 84 CE LYS 108 -4.189 29.208 57.421 1.00146.24 C ATOM 85 NZ LYS 108 -4.030 29.931 58.702 1.00146.24 N ATOM 86 C LYS 108 -7.876 27.381 55.339 1.00146.24 C ATOM 87 O LYS 108 -8.581 26.403 55.580 1.00146.24 O ATOM 88 N SER 109 -6.648 27.248 54.788 1.00 64.00 N ATOM 89 CA SER 109 -6.220 25.930 54.401 1.00 64.00 C ATOM 90 CB SER 109 -5.862 25.820 52.917 1.00 64.00 C ATOM 91 OG SER 109 -7.021 26.024 52.122 1.00 64.00 O ATOM 92 C SER 109 -5.037 25.509 55.217 1.00 64.00 C ATOM 93 O SER 109 -4.293 26.341 55.732 1.00 64.00 O ATOM 94 N PHE 110 -4.844 24.177 55.358 1.00140.97 N ATOM 95 CA PHE 110 -3.812 23.664 56.216 1.00140.97 C ATOM 96 CB PHE 110 -4.381 23.010 57.486 1.00140.97 C ATOM 97 CG PHE 110 -5.013 24.067 58.323 1.00140.97 C ATOM 98 CD1 PHE 110 -6.333 24.417 58.142 1.00140.97 C ATOM 99 CD2 PHE 110 -4.272 24.714 59.285 1.00140.97 C ATOM 100 CE1 PHE 110 -6.906 25.394 58.922 1.00140.97 C ATOM 101 CE2 PHE 110 -4.841 25.691 60.067 1.00140.97 C ATOM 102 CZ PHE 110 -6.160 26.031 59.885 1.00140.97 C ATOM 103 C PHE 110 -3.039 22.581 55.527 1.00140.97 C ATOM 104 O PHE 110 -3.548 21.861 54.668 1.00140.97 O ATOM 105 N GLY 111 -1.753 22.463 55.912 1.00 29.62 N ATOM 106 CA GLY 111 -0.863 21.449 55.432 1.00 29.62 C ATOM 107 C GLY 111 -1.303 20.105 55.935 1.00 29.62 C ATOM 108 O GLY 111 -1.188 19.106 55.224 1.00 29.62 O ATOM 109 N LYS 112 -1.797 20.032 57.190 1.00 93.85 N ATOM 110 CA LYS 112 -2.115 18.739 57.732 1.00 93.85 C ATOM 111 CB LYS 112 -1.212 18.351 58.913 1.00 93.85 C ATOM 112 CG LYS 112 0.277 18.421 58.563 1.00 93.85 C ATOM 113 CD LYS 112 0.677 17.582 57.350 1.00 93.85 C ATOM 114 CE LYS 112 2.162 17.714 57.003 1.00 93.85 C ATOM 115 NZ LYS 112 2.464 16.966 55.764 1.00 93.85 N ATOM 116 C LYS 112 -3.535 18.709 58.208 1.00 93.85 C ATOM 117 O LYS 112 -4.087 19.712 58.661 1.00 93.85 O ATOM 118 N LYS 113 -4.155 17.514 58.111 1.00123.73 N ATOM 119 CA LYS 113 -5.529 17.286 58.456 1.00123.73 C ATOM 120 CB LYS 113 -6.018 15.879 58.063 1.00123.73 C ATOM 121 CG LYS 113 -5.177 14.733 58.626 1.00123.73 C ATOM 122 CD LYS 113 -5.859 13.366 58.524 1.00123.73 C ATOM 123 CE LYS 113 -5.928 12.816 57.097 1.00123.73 C ATOM 124 NZ LYS 113 -6.983 13.521 56.333 1.00123.73 N ATOM 125 C LYS 113 -5.771 17.486 59.921 1.00123.73 C ATOM 126 O LYS 113 -6.793 18.053 60.305 1.00123.73 O ATOM 127 N GLN 114 -4.846 17.033 60.787 1.00 67.03 N ATOM 128 CA GLN 114 -5.072 17.141 62.203 1.00 67.03 C ATOM 129 CB GLN 114 -3.978 16.480 63.050 1.00 67.03 C ATOM 130 CG GLN 114 -3.919 14.963 62.880 1.00 67.03 C ATOM 131 CD GLN 114 -2.794 14.447 63.762 1.00 67.03 C ATOM 132 OE1 GLN 114 -2.084 15.224 64.398 1.00 67.03 O ATOM 133 NE2 GLN 114 -2.623 13.098 63.801 1.00 67.03 N ATOM 134 C GLN 114 -5.131 18.583 62.590 1.00 67.03 C ATOM 135 O GLN 114 -5.927 18.966 63.447 1.00 67.03 O ATOM 136 N SER 115 -4.277 19.419 61.971 1.00 21.74 N ATOM 137 CA SER 115 -4.251 20.818 62.287 1.00 21.74 C ATOM 138 CB SER 115 -3.171 21.585 61.504 1.00 21.74 C ATOM 139 OG SER 115 -1.878 21.178 61.920 1.00 21.74 O ATOM 140 C SER 115 -5.576 21.403 61.917 1.00 21.74 C ATOM 141 O SER 115 -6.109 22.254 62.625 1.00 21.74 O ATOM 142 N PHE 116 -6.139 20.941 60.784 1.00 48.12 N ATOM 143 CA PHE 116 -7.406 21.405 60.301 1.00 48.12 C ATOM 144 CB PHE 116 -7.779 20.722 58.971 1.00 48.12 C ATOM 145 CG PHE 116 -9.234 20.930 58.726 1.00 48.12 C ATOM 146 CD1 PHE 116 -9.696 22.060 58.091 1.00 48.12 C ATOM 147 CD2 PHE 116 -10.148 19.987 59.144 1.00 48.12 C ATOM 148 CE1 PHE 116 -11.041 22.240 57.871 1.00 48.12 C ATOM 149 CE2 PHE 116 -11.494 20.160 58.926 1.00 48.12 C ATOM 150 CZ PHE 116 -11.943 21.289 58.285 1.00 48.12 C ATOM 151 C PHE 116 -8.473 21.091 61.305 1.00 48.12 C ATOM 152 O PHE 116 -9.284 21.953 61.649 1.00 48.12 O ATOM 153 N LYS 117 -8.500 19.853 61.828 1.00 77.07 N ATOM 154 CA LYS 117 -9.561 19.522 62.735 1.00 77.07 C ATOM 155 CB LYS 117 -9.585 18.041 63.153 1.00 77.07 C ATOM 156 CG LYS 117 -8.310 17.507 63.806 1.00 77.07 C ATOM 157 CD LYS 117 -8.506 16.112 64.401 1.00 77.07 C ATOM 158 CE LYS 117 -7.215 15.427 64.846 1.00 77.07 C ATOM 159 NZ LYS 117 -7.533 14.077 65.365 1.00 77.07 N ATOM 160 C LYS 117 -9.480 20.390 63.949 1.00 77.07 C ATOM 161 O LYS 117 -10.497 20.875 64.439 1.00 77.07 O ATOM 162 N MET 118 -8.265 20.637 64.462 1.00 61.12 N ATOM 163 CA MET 118 -8.175 21.446 65.640 1.00 61.12 C ATOM 164 CB MET 118 -6.742 21.589 66.167 1.00 61.12 C ATOM 165 CG MET 118 -6.660 22.451 67.425 1.00 61.12 C ATOM 166 SD MET 118 -4.979 22.604 68.087 1.00 61.12 S ATOM 167 CE MET 118 -4.955 20.905 68.726 1.00 61.12 C ATOM 168 C MET 118 -8.666 22.824 65.323 1.00 61.12 C ATOM 169 O MET 118 -9.359 23.446 66.127 1.00 61.12 O ATOM 170 N HIS 119 -8.321 23.337 64.128 1.00 47.30 N ATOM 171 CA HIS 119 -8.677 24.679 63.773 1.00 47.30 C ATOM 172 ND1 HIS 119 -7.847 27.619 62.529 1.00 47.30 N ATOM 173 CG HIS 119 -8.525 26.515 62.060 1.00 47.30 C ATOM 174 CB HIS 119 -8.163 25.097 62.386 1.00 47.30 C ATOM 175 NE2 HIS 119 -9.529 28.380 61.288 1.00 47.30 N ATOM 176 CD2 HIS 119 -9.546 26.996 61.305 1.00 47.30 C ATOM 177 CE1 HIS 119 -8.492 28.708 62.037 1.00 47.30 C ATOM 178 C HIS 119 -10.160 24.839 63.747 1.00 47.30 C ATOM 179 O HIS 119 -10.686 25.790 64.323 1.00 47.30 O ATOM 180 N MET 120 -10.887 23.913 63.095 1.00129.64 N ATOM 181 CA MET 120 -12.306 24.104 62.995 1.00129.64 C ATOM 182 CB MET 120 -12.934 23.373 61.789 1.00129.64 C ATOM 183 CG MET 120 -14.326 23.871 61.371 1.00129.64 C ATOM 184 SD MET 120 -15.691 23.461 62.503 1.00129.64 S ATOM 185 CE MET 120 -15.511 24.898 63.600 1.00129.64 C ATOM 186 C MET 120 -12.954 23.608 64.280 1.00129.64 C ATOM 187 O MET 120 -13.467 22.460 64.292 1.00129.64 O ATOM 188 OXT MET 120 -12.956 24.392 65.269 1.00129.64 O