EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:55 REMARK 6 MODELLER OBJECTIVE FUNCTION: 78.5034 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 42.308 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1617.50964 REMARK 6 GA341 score: 0.92483 REMARK 6 Normalized DOPE score: 0.44129 REMARK 6 TEMPLATE: 2i13A02 78:A - 103:A MODELS 1: - 26: AT 42.3% ATOM 1 N PHE 55 -20.318 35.090 56.739 1.00 39.90 N ATOM 2 CA PHE 55 -19.510 36.268 57.116 1.00 39.90 C ATOM 3 CB PHE 55 -19.336 36.339 58.639 1.00 39.90 C ATOM 4 CG PHE 55 -20.691 36.524 59.220 1.00 39.90 C ATOM 5 CD1 PHE 55 -21.242 37.782 59.309 1.00 39.90 C ATOM 6 CD2 PHE 55 -21.404 35.436 59.665 1.00 39.90 C ATOM 7 CE1 PHE 55 -22.496 37.955 59.847 1.00 39.90 C ATOM 8 CE2 PHE 55 -22.656 35.603 60.203 1.00 39.90 C ATOM 9 CZ PHE 55 -23.199 36.862 60.292 1.00 39.90 C ATOM 10 C PHE 55 -18.162 36.151 56.504 1.00 39.90 C ATOM 11 O PHE 55 -17.465 35.153 56.683 1.00 39.90 O ATOM 12 N ILE 56 -17.750 37.190 55.761 1.00 88.96 N ATOM 13 CA ILE 56 -16.480 37.096 55.120 1.00 88.96 C ATOM 14 CB ILE 56 -16.530 37.396 53.648 1.00 88.96 C ATOM 15 CG1 ILE 56 -17.017 38.835 53.411 1.00 88.96 C ATOM 16 CG2 ILE 56 -17.398 36.331 52.960 1.00 88.96 C ATOM 17 CD1 ILE 56 -16.758 39.353 51.998 1.00 88.96 C ATOM 18 C ILE 56 -15.575 38.088 55.758 1.00 88.96 C ATOM 19 O ILE 56 -15.976 39.207 56.079 1.00 88.96 O ATOM 20 N CYS 57 -14.318 37.664 55.995 1.00 38.76 N ATOM 21 CA CYS 57 -13.356 38.528 56.601 1.00 38.76 C ATOM 22 CB CYS 57 -12.035 37.822 56.962 1.00 38.76 C ATOM 23 SG CYS 57 -10.868 38.932 57.803 1.00 38.76 S ATOM 24 C CYS 57 -13.028 39.571 55.592 1.00 38.76 C ATOM 25 O CYS 57 -12.667 39.269 54.456 1.00 38.76 O ATOM 26 N THR 58 -13.128 40.843 55.998 1.00104.42 N ATOM 27 CA THR 58 -12.859 41.890 55.072 1.00104.42 C ATOM 28 CB THR 58 -13.117 43.249 55.655 1.00104.42 C ATOM 29 OG1 THR 58 -12.275 43.472 56.776 1.00104.42 O ATOM 30 CG2 THR 58 -14.595 43.320 56.086 1.00104.42 C ATOM 31 C THR 58 -11.422 41.799 54.672 1.00104.42 C ATOM 32 O THR 58 -11.100 41.982 53.500 1.00104.42 O ATOM 33 N GLN 59 -10.519 41.508 55.634 1.00157.31 N ATOM 34 CA GLN 59 -9.121 41.546 55.307 1.00157.31 C ATOM 35 CB GLN 59 -8.238 41.200 56.521 1.00157.31 C ATOM 36 CG GLN 59 -8.551 41.994 57.789 1.00157.31 C ATOM 37 CD GLN 59 -8.015 43.405 57.621 1.00157.31 C ATOM 38 OE1 GLN 59 -8.134 44.016 56.560 1.00157.31 O ATOM 39 NE2 GLN 59 -7.395 43.938 58.707 1.00157.31 N ATOM 40 C GLN 59 -8.751 40.518 54.270 1.00157.31 C ATOM 41 O GLN 59 -8.397 40.865 53.144 1.00157.31 O ATOM 42 N CYS 60 -8.821 39.219 54.639 1.00 67.84 N ATOM 43 CA CYS 60 -8.436 38.135 53.770 1.00 67.84 C ATOM 44 CB CYS 60 -8.020 36.858 54.524 1.00 67.84 C ATOM 45 SG CYS 60 -9.308 36.226 55.626 1.00 67.84 S ATOM 46 C CYS 60 -9.480 37.777 52.755 1.00 67.84 C ATOM 47 O CYS 60 -9.162 37.530 51.593 1.00 67.84 O ATOM 48 N GLY 61 -10.767 37.753 53.156 1.00 31.88 N ATOM 49 CA GLY 61 -11.791 37.313 52.250 1.00 31.88 C ATOM 50 C GLY 61 -12.159 35.891 52.579 1.00 31.88 C ATOM 51 O GLY 61 -12.959 35.278 51.874 1.00 31.88 O ATOM 52 N LYS 62 -11.569 35.322 53.653 1.00 88.64 N ATOM 53 CA LYS 62 -11.905 33.990 54.085 1.00 88.64 C ATOM 54 CB LYS 62 -11.003 33.476 55.229 1.00 88.64 C ATOM 55 CG LYS 62 -11.277 32.038 55.679 1.00 88.64 C ATOM 56 CD LYS 62 -10.260 31.507 56.693 1.00 88.64 C ATOM 57 CE LYS 62 -9.028 30.857 56.064 1.00 88.64 C ATOM 58 NZ LYS 62 -9.395 29.567 55.443 1.00 88.64 N ATOM 59 C LYS 62 -13.306 34.060 54.606 1.00 88.64 C ATOM 60 O LYS 62 -13.696 35.050 55.224 1.00 88.64 O ATOM 61 N SER 63 -14.111 33.006 54.361 1.00 78.43 N ATOM 62 CA SER 63 -15.479 33.052 54.789 1.00 78.43 C ATOM 63 CB SER 63 -16.475 32.806 53.642 1.00 78.43 C ATOM 64 OG SER 63 -16.219 31.551 53.032 1.00 78.43 O ATOM 65 C SER 63 -15.707 32.008 55.835 1.00 78.43 C ATOM 66 O SER 63 -15.043 30.974 55.856 1.00 78.43 O ATOM 67 N LEU 64 -16.650 32.289 56.759 1.00 99.60 N ATOM 68 CA LEU 64 -16.985 31.388 57.827 1.00 99.60 C ATOM 69 CB LEU 64 -16.524 31.844 59.230 1.00 99.60 C ATOM 70 CG LEU 64 -15.118 31.355 59.643 1.00 99.60 C ATOM 71 CD1 LEU 64 -15.159 29.870 60.054 1.00 99.60 C ATOM 72 CD2 LEU 64 -14.069 31.615 58.549 1.00 99.60 C ATOM 73 C LEU 64 -18.460 31.200 57.892 1.00 99.60 C ATOM 74 O LEU 64 -19.244 32.063 57.497 1.00 99.60 O ATOM 75 N GLY 65 -18.863 30.005 58.364 1.00 26.70 N ATOM 76 CA GLY 65 -20.231 29.644 58.571 1.00 26.70 C ATOM 77 C GLY 65 -20.777 30.437 59.713 1.00 26.70 C ATOM 78 O GLY 65 -21.948 30.815 59.705 1.00 26.70 O ATOM 79 N ARG 66 -19.936 30.690 60.740 1.00146.48 N ATOM 80 CA ARG 66 -20.424 31.327 61.931 1.00146.48 C ATOM 81 CB ARG 66 -20.210 30.466 63.178 1.00146.48 C ATOM 82 CG ARG 66 -20.725 31.119 64.458 1.00146.48 C ATOM 83 CD ARG 66 -21.026 30.088 65.538 1.00146.48 C ATOM 84 NE ARG 66 -22.044 29.182 64.936 1.00146.48 N ATOM 85 CZ ARG 66 -22.170 27.887 65.345 1.00146.48 C ATOM 86 NH1 ARG 66 -21.421 27.413 66.383 1.00146.48 N ATOM 87 NH2 ARG 66 -23.059 27.071 64.706 1.00146.48 N ATOM 88 C ARG 66 -19.734 32.632 62.178 1.00146.48 C ATOM 89 O ARG 66 -18.540 32.782 61.925 1.00146.48 O ATOM 90 N LYS 67 -20.505 33.613 62.697 1.00 46.50 N ATOM 91 CA LYS 67 -20.009 34.919 63.006 1.00 46.50 C ATOM 92 CB LYS 67 -21.113 35.919 63.402 1.00 46.50 C ATOM 93 CG LYS 67 -20.609 37.363 63.353 1.00 46.50 C ATOM 94 CD LYS 67 -21.708 38.426 63.289 1.00 46.50 C ATOM 95 CE LYS 67 -21.168 39.826 62.977 1.00 46.50 C ATOM 96 NZ LYS 67 -22.268 40.817 62.939 1.00 46.50 N ATOM 97 C LYS 67 -19.018 34.819 64.131 1.00 46.50 C ATOM 98 O LYS 67 -18.026 35.546 64.161 1.00 46.50 O ATOM 99 N SER 68 -19.261 33.907 65.088 1.00 69.96 N ATOM 100 CA SER 68 -18.408 33.770 66.232 1.00 69.96 C ATOM 101 CB SER 68 -18.879 32.633 67.157 1.00 69.96 C ATOM 102 OG SER 68 -20.197 32.874 67.634 1.00 69.96 O ATOM 103 C SER 68 -17.030 33.417 65.763 1.00 69.96 C ATOM 104 O SER 68 -16.047 33.995 66.224 1.00 69.96 O ATOM 105 N SER 69 -16.928 32.461 64.818 1.00 28.97 N ATOM 106 CA SER 69 -15.640 32.037 64.341 1.00 28.97 C ATOM 107 CB SER 69 -15.697 30.785 63.454 1.00 28.97 C ATOM 108 OG SER 69 -16.090 29.661 64.225 1.00 28.97 O ATOM 109 C SER 69 -15.002 33.137 63.554 1.00 28.97 C ATOM 110 O SER 69 -13.780 33.268 63.532 1.00 28.97 O ATOM 111 N LEU 70 -15.814 33.967 62.876 1.00 96.73 N ATOM 112 CA LEU 70 -15.223 35.032 62.130 1.00 96.73 C ATOM 113 CB LEU 70 -16.250 35.849 61.314 1.00 96.73 C ATOM 114 CG LEU 70 -15.650 37.000 60.475 1.00 96.73 C ATOM 115 CD1 LEU 70 -15.198 38.176 61.352 1.00 96.73 C ATOM 116 CD2 LEU 70 -14.534 36.499 59.542 1.00 96.73 C ATOM 117 C LEU 70 -14.541 35.927 63.122 1.00 96.73 C ATOM 118 O LEU 70 -13.429 36.397 62.884 1.00 96.73 O ATOM 119 N LYS 71 -15.189 36.177 64.279 1.00110.16 N ATOM 120 CA LYS 71 -14.632 37.076 65.257 1.00110.16 C ATOM 121 CB LYS 71 -15.479 37.250 66.533 1.00110.16 C ATOM 122 CG LYS 71 -14.762 38.078 67.611 1.00110.16 C ATOM 123 CD LYS 71 -15.635 38.491 68.801 1.00110.16 C ATOM 124 CE LYS 71 -14.838 38.830 70.070 1.00110.16 C ATOM 125 NZ LYS 71 -14.091 40.096 69.899 1.00110.16 N ATOM 126 C LYS 71 -13.297 36.575 65.715 1.00110.16 C ATOM 127 O LYS 71 -12.350 37.352 65.822 1.00110.16 O ATOM 128 N ILE 72 -13.164 35.263 65.991 1.00131.25 N ATOM 129 CA ILE 72 -11.899 34.755 66.454 1.00131.25 C ATOM 130 CB ILE 72 -11.947 33.294 66.856 1.00131.25 C ATOM 131 CG1 ILE 72 -10.660 32.863 67.581 1.00131.25 C ATOM 132 CG2 ILE 72 -12.238 32.428 65.626 1.00131.25 C ATOM 133 CD1 ILE 72 -9.407 32.800 66.707 1.00131.25 C ATOM 134 C ILE 72 -10.887 34.968 65.375 1.00131.25 C ATOM 135 O ILE 72 -9.749 35.342 65.650 1.00131.25 O ATOM 136 N HIS 73 -11.303 34.765 64.114 1.00 66.68 N ATOM 137 CA HIS 73 -10.480 34.889 62.948 1.00 66.68 C ATOM 138 ND1 HIS 73 -9.632 33.954 59.910 1.00 66.68 N ATOM 139 CG HIS 73 -10.654 34.739 60.394 1.00 66.68 C ATOM 140 CB HIS 73 -11.328 34.554 61.707 1.00 66.68 C ATOM 141 NE2 HIS 73 -10.059 35.484 58.362 1.00 66.68 N ATOM 142 CD2 HIS 73 -10.903 35.668 59.437 1.00 66.68 C ATOM 143 CE1 HIS 73 -9.315 34.445 58.690 1.00 66.68 C ATOM 144 C HIS 73 -9.948 36.289 62.846 1.00 66.68 C ATOM 145 O HIS 73 -8.765 36.496 62.576 1.00 66.68 O ATOM 146 N MET 74 -10.809 37.277 63.137 1.00149.77 N ATOM 147 CA MET 74 -10.510 38.681 63.053 1.00149.77 C ATOM 148 CB MET 74 -11.690 39.529 63.556 1.00149.77 C ATOM 149 CG MET 74 -11.415 41.034 63.679 1.00149.77 C ATOM 150 SD MET 74 -11.304 41.970 62.121 1.00149.77 S ATOM 151 CE MET 74 -11.513 43.599 62.898 1.00149.77 C ATOM 152 C MET 74 -9.372 38.995 63.967 1.00149.77 C ATOM 153 O MET 74 -8.546 39.856 63.668 1.00149.77 O ATOM 154 N MET 75 -9.307 38.301 65.114 1.00 75.74 N ATOM 155 CA MET 75 -8.332 38.591 66.122 1.00 75.74 C ATOM 156 CB MET 75 -8.468 37.667 67.350 1.00 75.74 C ATOM 157 CG MET 75 -9.879 37.624 67.949 1.00 75.74 C ATOM 158 SD MET 75 -10.481 39.183 68.664 1.00 75.74 S ATOM 159 CE MET 75 -9.590 38.974 70.231 1.00 75.74 C ATOM 160 C MET 75 -6.955 38.397 65.552 1.00 75.74 C ATOM 161 O MET 75 -6.044 39.163 65.864 1.00 75.74 O ATOM 162 N ILE 76 -6.753 37.379 64.696 1.00 90.81 N ATOM 163 CA ILE 76 -5.411 37.152 64.238 1.00 90.81 C ATOM 164 CB ILE 76 -5.260 35.951 63.346 1.00 90.81 C ATOM 165 CG1 ILE 76 -6.032 36.118 62.029 1.00 90.81 C ATOM 166 CG2 ILE 76 -5.677 34.706 64.140 1.00 90.81 C ATOM 167 CD1 ILE 76 -5.632 35.075 60.983 1.00 90.81 C ATOM 168 C ILE 76 -4.926 38.344 63.463 1.00 90.81 C ATOM 169 O ILE 76 -3.791 38.788 63.634 1.00 90.81 O ATOM 170 N HIS 77 -5.776 38.896 62.577 1.00 50.30 N ATOM 171 CA HIS 77 -5.377 39.992 61.738 1.00 50.30 C ATOM 172 ND1 HIS 77 -6.541 39.081 58.624 1.00 50.30 N ATOM 173 CG HIS 77 -6.982 39.287 59.910 1.00 50.30 C ATOM 174 CB HIS 77 -6.512 40.411 60.788 1.00 50.30 C ATOM 175 NE2 HIS 77 -7.989 37.455 59.069 1.00 50.30 N ATOM 176 CD2 HIS 77 -7.865 38.286 60.167 1.00 50.30 C ATOM 177 CE1 HIS 77 -7.175 37.973 58.167 1.00 50.30 C ATOM 178 C HIS 77 -5.049 41.175 62.600 1.00 50.30 C ATOM 179 O HIS 77 -3.998 41.798 62.459 1.00 50.30 O ATOM 180 N THR 78 -5.942 41.488 63.553 1.00 31.79 N ATOM 181 CA THR 78 -5.776 42.624 64.409 1.00 31.79 C ATOM 182 CB THR 78 -6.945 42.810 65.340 1.00 31.79 C ATOM 183 OG1 THR 78 -7.065 41.690 66.203 1.00 31.79 O ATOM 184 CG2 THR 78 -8.230 42.981 64.508 1.00 31.79 C ATOM 185 C THR 78 -4.536 42.405 65.206 1.00 31.79 C ATOM 186 O THR 78 -3.767 43.335 65.450 1.00 31.79 O ATOM 187 N GLY 79 -4.299 41.145 65.617 1.00 11.89 N ATOM 188 CA GLY 79 -3.135 40.843 66.388 1.00 11.89 C ATOM 189 C GLY 79 -3.516 40.961 67.823 1.00 11.89 C ATOM 190 O GLY 79 -2.681 40.858 68.720 1.00 11.89 O ATOM 191 N GLU 80 -4.815 41.188 68.066 1.00 27.07 N ATOM 192 CA GLU 80 -5.296 41.301 69.407 1.00 27.07 C ATOM 193 CB GLU 80 -6.598 42.106 69.490 1.00 27.07 C ATOM 194 CG GLU 80 -6.415 43.571 69.099 1.00 27.07 C ATOM 195 CD GLU 80 -7.757 44.279 69.186 1.00 27.07 C ATOM 196 OE1 GLU 80 -8.714 43.828 68.501 1.00 27.07 O ATOM 197 OE2 GLU 80 -7.841 45.289 69.934 1.00 27.07 O ATOM 198 C GLU 80 -5.590 39.882 69.884 1.00 27.07 C ATOM 199 O GLU 80 -5.977 39.039 69.033 1.00 27.07 O ATOM 200 OXT GLU 80 -5.434 39.619 71.106 1.00 27.07 O