EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:23 REMARK 6 MODELLER OBJECTIVE FUNCTION: 109.6690 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1548.60974 REMARK 6 GA341 score: 0.78718 REMARK 6 Normalized DOPE score: -0.74955 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 86 4.479 25.795 44.655 1.00 91.49 N ATOM 2 CA GLU 86 3.692 26.829 45.357 1.00 91.49 C ATOM 3 CB GLU 86 2.434 27.192 44.549 1.00 91.49 C ATOM 4 CG GLU 86 2.743 27.808 43.185 1.00 91.49 C ATOM 5 CD GLU 86 3.097 26.673 42.234 1.00 91.49 C ATOM 6 OE1 GLU 86 2.698 25.514 42.529 1.00 91.49 O ATOM 7 OE2 GLU 86 3.768 26.946 41.205 1.00 91.49 O ATOM 8 C GLU 86 3.241 26.287 46.667 1.00 91.49 C ATOM 9 O GLU 86 4.006 25.657 47.396 1.00 91.49 O ATOM 10 N LYS 87 1.967 26.550 47.002 1.00155.18 N ATOM 11 CA LYS 87 1.427 26.034 48.219 1.00155.18 C ATOM 12 CB LYS 87 0.786 27.126 49.101 1.00155.18 C ATOM 13 CG LYS 87 0.113 28.287 48.362 1.00155.18 C ATOM 14 CD LYS 87 1.104 29.171 47.597 1.00155.18 C ATOM 15 CE LYS 87 0.514 30.483 47.069 1.00155.18 C ATOM 16 NZ LYS 87 0.782 31.581 48.025 1.00155.18 N ATOM 17 C LYS 87 0.419 24.984 47.861 1.00155.18 C ATOM 18 O LYS 87 -0.710 25.271 47.467 1.00155.18 O ATOM 19 N PRO 88 0.855 23.757 47.967 1.00125.35 N ATOM 20 CA PRO 88 0.038 22.617 47.644 1.00125.35 C ATOM 21 CD PRO 88 2.270 23.465 47.816 1.00125.35 C ATOM 22 CB PRO 88 1.004 21.449 47.411 1.00125.35 C ATOM 23 CG PRO 88 2.357 21.939 47.956 1.00125.35 C ATOM 24 C PRO 88 -1.062 22.291 48.608 1.00125.35 C ATOM 25 O PRO 88 -1.984 21.579 48.211 1.00125.35 O ATOM 26 N PHE 89 -1.007 22.764 49.868 1.00 62.84 N ATOM 27 CA PHE 89 -2.041 22.357 50.781 1.00 62.84 C ATOM 28 CB PHE 89 -1.532 22.033 52.198 1.00 62.84 C ATOM 29 CG PHE 89 -0.884 20.695 52.142 1.00 62.84 C ATOM 30 CD1 PHE 89 -1.636 19.565 52.369 1.00 62.84 C ATOM 31 CD2 PHE 89 0.455 20.561 51.858 1.00 62.84 C ATOM 32 CE1 PHE 89 -1.062 18.318 52.320 1.00 62.84 C ATOM 33 CE2 PHE 89 1.034 19.315 51.808 1.00 62.84 C ATOM 34 CZ PHE 89 0.277 18.190 52.040 1.00 62.84 C ATOM 35 C PHE 89 -3.071 23.429 50.911 1.00 62.84 C ATOM 36 O PHE 89 -2.776 24.551 51.316 1.00 62.84 O ATOM 37 N THR 90 -4.333 23.083 50.587 1.00 30.92 N ATOM 38 CA THR 90 -5.394 24.044 50.664 1.00 30.92 C ATOM 39 CB THR 90 -6.179 24.169 49.389 1.00 30.92 C ATOM 40 OG1 THR 90 -5.326 24.537 48.316 1.00 30.92 O ATOM 41 CG2 THR 90 -7.275 25.229 49.589 1.00 30.92 C ATOM 42 C THR 90 -6.347 23.576 51.712 1.00 30.92 C ATOM 43 O THR 90 -6.630 22.383 51.820 1.00 30.92 O ATOM 44 N CYS 91 -6.853 24.510 52.544 1.00 89.00 N ATOM 45 CA CYS 91 -7.778 24.069 53.543 1.00 89.00 C ATOM 46 CB CYS 91 -7.810 24.898 54.836 1.00 89.00 C ATOM 47 SG CYS 91 -8.773 26.414 54.652 1.00 89.00 S ATOM 48 C CYS 91 -9.144 24.075 52.944 1.00 89.00 C ATOM 49 O CYS 91 -9.504 24.952 52.161 1.00 89.00 O ATOM 50 N THR 92 -9.952 23.071 53.315 1.00 41.80 N ATOM 51 CA THR 92 -11.257 22.942 52.745 1.00 41.80 C ATOM 52 CB THR 92 -11.952 21.676 53.147 1.00 41.80 C ATOM 53 OG1 THR 92 -11.187 20.552 52.741 1.00 41.80 O ATOM 54 CG2 THR 92 -13.331 21.641 52.464 1.00 41.80 C ATOM 55 C THR 92 -12.135 24.086 53.147 1.00 41.80 C ATOM 56 O THR 92 -12.939 24.554 52.342 1.00 41.80 O ATOM 57 N GLN 93 -12.037 24.553 54.411 1.00139.76 N ATOM 58 CA GLN 93 -12.996 25.540 54.824 1.00139.76 C ATOM 59 CB GLN 93 -12.886 25.909 56.316 1.00139.76 C ATOM 60 CG GLN 93 -13.151 24.761 57.293 1.00139.76 C ATOM 61 CD GLN 93 -11.817 24.117 57.648 1.00139.76 C ATOM 62 OE1 GLN 93 -10.775 24.477 57.105 1.00139.76 O ATOM 63 NE2 GLN 93 -11.846 23.142 58.596 1.00139.76 N ATOM 64 C GLN 93 -12.870 26.841 54.082 1.00139.76 C ATOM 65 O GLN 93 -13.778 27.213 53.339 1.00139.76 O ATOM 66 N CYS 94 -11.749 27.574 54.280 1.00 75.57 N ATOM 67 CA CYS 94 -11.588 28.865 53.658 1.00 75.57 C ATOM 68 CB CYS 94 -10.736 29.879 54.452 1.00 75.57 C ATOM 69 SG CYS 94 -8.948 29.580 54.453 1.00 75.57 S ATOM 70 C CYS 94 -11.089 28.780 52.248 1.00 75.57 C ATOM 71 O CYS 94 -11.455 29.596 51.405 1.00 75.57 O ATOM 72 N GLY 95 -10.230 27.789 51.944 1.00 28.38 N ATOM 73 CA GLY 95 -9.686 27.698 50.620 1.00 28.38 C ATOM 74 C GLY 95 -8.314 28.306 50.603 1.00 28.38 C ATOM 75 O GLY 95 -7.701 28.422 49.543 1.00 28.38 O ATOM 76 N LYS 96 -7.793 28.711 51.779 1.00 88.50 N ATOM 77 CA LYS 96 -6.480 29.293 51.844 1.00 88.50 C ATOM 78 CB LYS 96 -6.153 29.897 53.219 1.00 88.50 C ATOM 79 CG LYS 96 -4.867 30.720 53.242 1.00 88.50 C ATOM 80 CD LYS 96 -4.721 31.550 54.518 1.00 88.50 C ATOM 81 CE LYS 96 -5.926 32.451 54.795 1.00 88.50 C ATOM 82 NZ LYS 96 -5.750 33.148 56.088 1.00 88.50 N ATOM 83 C LYS 96 -5.469 28.215 51.578 1.00 88.50 C ATOM 84 O LYS 96 -5.667 27.063 51.963 1.00 88.50 O ATOM 85 N SER 97 -4.345 28.567 50.912 1.00 51.78 N ATOM 86 CA SER 97 -3.351 27.576 50.579 1.00 51.78 C ATOM 87 CB SER 97 -2.961 27.572 49.089 1.00 51.78 C ATOM 88 OG SER 97 -4.062 27.172 48.287 1.00 51.78 O ATOM 89 C SER 97 -2.099 27.844 51.362 1.00 51.78 C ATOM 90 O SER 97 -1.794 28.988 51.695 1.00 51.78 O ATOM 91 N PHE 98 -1.335 26.771 51.677 1.00145.40 N ATOM 92 CA PHE 98 -0.156 26.908 52.489 1.00145.40 C ATOM 93 CB PHE 98 -0.327 26.318 53.899 1.00145.40 C ATOM 94 CG PHE 98 -1.340 27.136 54.619 1.00145.40 C ATOM 95 CD1 PHE 98 -2.678 26.824 54.533 1.00145.40 C ATOM 96 CD2 PHE 98 -0.950 28.221 55.368 1.00145.40 C ATOM 97 CE1 PHE 98 -3.616 27.580 55.196 1.00145.40 C ATOM 98 CE2 PHE 98 -1.883 28.979 56.033 1.00145.40 C ATOM 99 CZ PHE 98 -3.217 28.659 55.949 1.00145.40 C ATOM 100 C PHE 98 0.988 26.167 51.869 1.00145.40 C ATOM 101 O PHE 98 0.811 25.189 51.143 1.00145.40 O ATOM 102 N ASN 99 2.210 26.671 52.130 1.00 97.05 N ATOM 103 CA ASN 99 3.438 26.102 51.658 1.00 97.05 C ATOM 104 CB ASN 99 4.648 27.011 51.941 1.00 97.05 C ATOM 105 CG ASN 99 5.894 26.347 51.372 1.00 97.05 C ATOM 106 OD1 ASN 99 5.985 26.089 50.173 1.00 97.05 O ATOM 107 ND2 ASN 99 6.888 26.067 52.257 1.00 97.05 N ATOM 108 C ASN 99 3.678 24.794 52.351 1.00 97.05 C ATOM 109 O ASN 99 4.183 23.851 51.743 1.00 97.05 O ATOM 110 N CYS 100 3.328 24.699 53.651 1.00 33.99 N ATOM 111 CA CYS 100 3.633 23.487 54.359 1.00 33.99 C ATOM 112 CB CYS 100 4.653 23.690 55.490 1.00 33.99 C ATOM 113 SG CYS 100 6.292 24.165 54.863 1.00 33.99 S ATOM 114 C CYS 100 2.399 22.899 54.975 1.00 33.99 C ATOM 115 O CYS 100 1.462 23.599 55.354 1.00 33.99 O ATOM 116 N SER 101 2.399 21.555 55.094 1.00 70.74 N ATOM 117 CA SER 101 1.298 20.812 55.634 1.00 70.74 C ATOM 118 CB SER 101 1.498 19.289 55.548 1.00 70.74 C ATOM 119 OG SER 101 2.571 18.884 56.385 1.00 70.74 O ATOM 120 C SER 101 1.123 21.151 57.079 1.00 70.74 C ATOM 121 O SER 101 -0.002 21.289 57.557 1.00 70.74 O ATOM 122 N SER 102 2.237 21.310 57.817 1.00 61.07 N ATOM 123 CA SER 102 2.143 21.562 59.227 1.00 61.07 C ATOM 124 CB SER 102 3.514 21.639 59.918 1.00 61.07 C ATOM 125 OG SER 102 3.341 21.892 61.303 1.00 61.07 O ATOM 126 C SER 102 1.452 22.868 59.454 1.00 61.07 C ATOM 127 O SER 102 0.660 23.001 60.386 1.00 61.07 O ATOM 128 N SER 103 1.743 23.871 58.606 1.00 71.61 N ATOM 129 CA SER 103 1.166 25.172 58.781 1.00 71.61 C ATOM 130 CB SER 103 1.714 26.214 57.791 1.00 71.61 C ATOM 131 OG SER 103 1.272 25.916 56.475 1.00 71.61 O ATOM 132 C SER 103 -0.311 25.091 58.560 1.00 71.61 C ATOM 133 O SER 103 -1.090 25.711 59.282 1.00 71.61 O ATOM 134 N LEU 104 -0.745 24.320 57.547 1.00 63.40 N ATOM 135 CA LEU 104 -2.149 24.237 57.277 1.00 63.40 C ATOM 136 CB LEU 104 -2.502 23.456 56.005 1.00 63.40 C ATOM 137 CG LEU 104 -4.025 23.419 55.783 1.00 63.40 C ATOM 138 CD1 LEU 104 -4.607 24.838 55.698 1.00 63.40 C ATOM 139 CD2 LEU 104 -4.393 22.565 54.565 1.00 63.40 C ATOM 140 C LEU 104 -2.831 23.576 58.433 1.00 63.40 C ATOM 141 O LEU 104 -3.938 23.958 58.808 1.00 63.40 O ATOM 142 N ASN 105 -2.173 22.570 59.038 1.00 44.84 N ATOM 143 CA ASN 105 -2.771 21.834 60.115 1.00 44.84 C ATOM 144 CB ASN 105 -1.839 20.755 60.696 1.00 44.84 C ATOM 145 CG ASN 105 -1.654 19.660 59.655 1.00 44.84 C ATOM 146 OD1 ASN 105 -0.830 18.763 59.824 1.00 44.84 O ATOM 147 ND2 ASN 105 -2.437 19.735 58.545 1.00 44.84 N ATOM 148 C ASN 105 -3.091 22.786 61.223 1.00 44.84 C ATOM 149 O ASN 105 -4.164 22.710 61.818 1.00 44.84 O ATOM 150 N ARG 106 -2.167 23.714 61.534 1.00 37.38 N ATOM 151 CA ARG 106 -2.428 24.648 62.590 1.00 37.38 C ATOM 152 CB ARG 106 -1.254 25.590 62.898 1.00 37.38 C ATOM 153 CG ARG 106 -0.110 24.916 63.652 1.00 37.38 C ATOM 154 CD ARG 106 0.943 25.902 64.156 1.00 37.38 C ATOM 155 NE ARG 106 1.838 25.149 65.074 1.00 37.38 N ATOM 156 CZ ARG 106 1.504 25.037 66.392 1.00 37.38 C ATOM 157 NH1 ARG 106 0.358 25.619 66.854 1.00 37.38 N ATOM 158 NH2 ARG 106 2.310 24.342 67.247 1.00 37.38 N ATOM 159 C ARG 106 -3.580 25.507 62.185 1.00 37.38 C ATOM 160 O ARG 106 -4.436 25.842 63.002 1.00 37.38 O ATOM 161 N HIS 107 -3.629 25.878 60.894 1.00 46.92 N ATOM 162 CA HIS 107 -4.647 26.755 60.401 1.00 46.92 C ATOM 163 ND1 HIS 107 -5.589 29.309 58.621 1.00 46.92 N ATOM 164 CG HIS 107 -5.553 27.954 58.375 1.00 46.92 C ATOM 165 CB HIS 107 -4.497 27.033 58.898 1.00 46.92 C ATOM 166 NE2 HIS 107 -7.363 28.842 57.364 1.00 46.92 N ATOM 167 CD2 HIS 107 -6.643 27.686 57.606 1.00 46.92 C ATOM 168 CE1 HIS 107 -6.691 29.790 57.993 1.00 46.92 C ATOM 169 C HIS 107 -5.984 26.122 60.605 1.00 46.92 C ATOM 170 O HIS 107 -6.929 26.778 61.040 1.00 46.92 O ATOM 171 N MET 108 -6.096 24.814 60.319 1.00 30.25 N ATOM 172 CA MET 108 -7.361 24.153 60.444 1.00 30.25 C ATOM 173 CB MET 108 -7.280 22.656 60.099 1.00 30.25 C ATOM 174 CG MET 108 -6.826 22.388 58.662 1.00 30.25 C ATOM 175 SD MET 108 -6.534 20.636 58.265 1.00 30.25 S ATOM 176 CE MET 108 -8.288 20.197 58.101 1.00 30.25 C ATOM 177 C MET 108 -7.775 24.256 61.876 1.00 30.25 C ATOM 178 O MET 108 -8.944 24.484 62.185 1.00 30.25 O ATOM 179 N ARG 109 -6.800 24.111 62.789 1.00174.06 N ATOM 180 CA ARG 109 -7.042 24.139 64.200 1.00174.06 C ATOM 181 CB ARG 109 -5.716 24.015 64.971 1.00174.06 C ATOM 182 CG ARG 109 -5.817 23.891 66.489 1.00174.06 C ATOM 183 CD ARG 109 -6.326 22.532 66.965 1.00174.06 C ATOM 184 NE ARG 109 -5.984 22.434 68.410 1.00174.06 N ATOM 185 CZ ARG 109 -6.786 23.013 69.348 1.00174.06 C ATOM 186 NH1 ARG 109 -7.922 23.668 68.966 1.00174.06 N ATOM 187 NH2 ARG 109 -6.441 22.950 70.666 1.00174.06 N ATOM 188 C ARG 109 -7.657 25.460 64.540 1.00174.06 C ATOM 189 O ARG 109 -8.648 25.523 65.265 1.00174.06 O ATOM 190 N ILE 110 -7.095 26.560 64.002 1.00 70.78 N ATOM 191 CA ILE 110 -7.635 27.854 64.299 1.00 70.78 C ATOM 192 CB ILE 110 -6.687 28.981 63.998 1.00 70.78 C ATOM 193 CG1 ILE 110 -6.369 29.037 62.495 1.00 70.78 C ATOM 194 CG2 ILE 110 -5.449 28.811 64.895 1.00 70.78 C ATOM 195 CD1 ILE 110 -5.667 30.326 62.067 1.00 70.78 C ATOM 196 C ILE 110 -8.864 28.053 63.425 1.00 70.78 C ATOM 197 O ILE 110 -9.528 29.114 63.575 1.00 70.78 O ATOM 198 OXT ILE 110 -9.155 27.152 62.595 1.00 70.78 O