EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:52 REMARK 6 MODELLER OBJECTIVE FUNCTION: 89.2806 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1120.42371 REMARK 6 GA341 score: 0.79352 REMARK 6 Normalized DOPE score: -0.65045 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 108 8.412 22.410 45.528 1.00 42.77 N ATOM 2 CA GLU 108 8.409 23.885 45.539 1.00 42.77 C ATOM 3 CB GLU 108 8.580 24.427 44.108 1.00 42.77 C ATOM 4 CG GLU 108 8.881 25.931 44.042 1.00 42.77 C ATOM 5 CD GLU 108 9.445 26.228 42.661 1.00 42.77 C ATOM 6 OE1 GLU 108 8.690 26.115 41.657 1.00 42.77 O ATOM 7 OE2 GLU 108 10.656 26.564 42.601 1.00 42.77 O ATOM 8 C GLU 108 7.130 24.384 46.118 1.00 42.77 C ATOM 9 O GLU 108 6.660 23.871 47.133 1.00 42.77 O ATOM 10 N LYS 109 6.527 25.411 45.499 1.00 57.35 N ATOM 11 CA LYS 109 5.306 25.898 46.054 1.00 57.35 C ATOM 12 CB LYS 109 5.369 27.404 46.358 1.00 57.35 C ATOM 13 CG LYS 109 6.377 27.723 47.471 1.00 57.35 C ATOM 14 CD LYS 109 6.608 29.212 47.725 1.00 57.35 C ATOM 15 CE LYS 109 7.467 29.480 48.962 1.00 57.35 C ATOM 16 NZ LYS 109 7.341 30.902 49.343 1.00 57.35 N ATOM 17 C LYS 109 4.222 25.644 45.052 1.00 57.35 C ATOM 18 O LYS 109 4.022 26.398 44.102 1.00 57.35 O ATOM 19 N PRO 110 3.524 24.568 45.265 1.00118.76 N ATOM 20 CA PRO 110 2.479 24.204 44.344 1.00118.76 C ATOM 21 CD PRO 110 4.213 23.390 45.771 1.00118.76 C ATOM 22 CB PRO 110 2.213 22.727 44.580 1.00118.76 C ATOM 23 CG PRO 110 3.570 22.188 45.058 1.00118.76 C ATOM 24 C PRO 110 1.233 25.036 44.321 1.00118.76 C ATOM 25 O PRO 110 0.472 24.911 43.361 1.00118.76 O ATOM 26 N PHE 111 0.954 25.870 45.337 1.00 62.71 N ATOM 27 CA PHE 111 -0.283 26.584 45.204 1.00 62.71 C ATOM 28 CB PHE 111 -1.118 26.633 46.488 1.00 62.71 C ATOM 29 CG PHE 111 -1.499 25.216 46.729 1.00 62.71 C ATOM 30 CD1 PHE 111 -2.516 24.656 45.997 1.00 62.71 C ATOM 31 CD2 PHE 111 -0.840 24.447 47.663 1.00 62.71 C ATOM 32 CE1 PHE 111 -2.883 23.350 46.201 1.00 62.71 C ATOM 33 CE2 PHE 111 -1.207 23.136 47.872 1.00 62.71 C ATOM 34 CZ PHE 111 -2.236 22.589 47.143 1.00 62.71 C ATOM 35 C PHE 111 0.002 27.989 44.789 1.00 62.71 C ATOM 36 O PHE 111 0.846 28.663 45.383 1.00 62.71 O ATOM 37 N THR 112 -0.704 28.473 43.748 1.00103.74 N ATOM 38 CA THR 112 -0.489 29.809 43.266 1.00103.74 C ATOM 39 CB THR 112 -0.152 29.855 41.799 1.00103.74 C ATOM 40 OG1 THR 112 0.069 31.189 41.355 1.00103.74 O ATOM 41 CG2 THR 112 -1.327 29.232 41.037 1.00103.74 C ATOM 42 C THR 112 -1.747 30.586 43.469 1.00103.74 C ATOM 43 O THR 112 -2.843 30.100 43.189 1.00103.74 O ATOM 44 N CYS 113 -1.585 31.816 43.995 1.00 43.56 N ATOM 45 CA CYS 113 -2.674 32.708 44.251 1.00 43.56 C ATOM 46 CB CYS 113 -2.275 33.875 45.169 1.00 43.56 C ATOM 47 SG CYS 113 -3.671 34.972 45.550 1.00 43.56 S ATOM 48 C CYS 113 -3.086 33.288 42.945 1.00 43.56 C ATOM 49 O CYS 113 -2.259 33.765 42.169 1.00 43.56 O ATOM 50 N THR 114 -4.405 33.294 42.689 1.00 47.81 N ATOM 51 CA THR 114 -4.922 33.774 41.444 1.00 47.81 C ATOM 52 CB THR 114 -6.408 33.586 41.364 1.00 47.81 C ATOM 53 OG1 THR 114 -6.747 32.242 41.665 1.00 47.81 O ATOM 54 CG2 THR 114 -6.859 33.906 39.929 1.00 47.81 C ATOM 55 C THR 114 -4.646 35.248 41.330 1.00 47.81 C ATOM 56 O THR 114 -4.164 35.723 40.302 1.00 47.81 O ATOM 57 N GLN 115 -4.984 36.026 42.379 1.00105.14 N ATOM 58 CA GLN 115 -4.828 37.450 42.268 1.00105.14 C ATOM 59 CB GLN 115 -5.654 38.231 43.308 1.00105.14 C ATOM 60 CG GLN 115 -7.165 38.226 43.048 1.00105.14 C ATOM 61 CD GLN 115 -7.850 39.037 44.145 1.00105.14 C ATOM 62 OE1 GLN 115 -7.190 39.611 45.010 1.00105.14 O ATOM 63 NE2 GLN 115 -9.209 39.085 44.114 1.00105.14 N ATOM 64 C GLN 115 -3.407 37.941 42.357 1.00105.14 C ATOM 65 O GLN 115 -2.949 38.663 41.472 1.00105.14 O ATOM 66 N CYS 116 -2.682 37.597 43.446 1.00 64.32 N ATOM 67 CA CYS 116 -1.339 38.092 43.636 1.00 64.32 C ATOM 68 CB CYS 116 -0.893 38.187 45.114 1.00 64.32 C ATOM 69 SG CYS 116 -0.916 36.619 46.024 1.00 64.32 S ATOM 70 C CYS 116 -0.329 37.353 42.806 1.00 64.32 C ATOM 71 O CYS 116 0.657 37.932 42.354 1.00 64.32 O ATOM 72 N GLY 117 -0.525 36.042 42.576 1.00 25.31 N ATOM 73 CA GLY 117 0.438 35.345 41.770 1.00 25.31 C ATOM 74 C GLY 117 1.471 34.724 42.659 1.00 25.31 C ATOM 75 O GLY 117 2.393 34.065 42.177 1.00 25.31 O ATOM 76 N THR 118 1.347 34.905 43.990 1.00 43.89 N ATOM 77 CA THR 118 2.335 34.357 44.877 1.00 43.89 C ATOM 78 CB THR 118 2.339 34.972 46.253 1.00 43.89 C ATOM 79 OG1 THR 118 2.582 36.370 46.176 1.00 43.89 O ATOM 80 CG2 THR 118 3.445 34.295 47.081 1.00 43.89 C ATOM 81 C THR 118 2.064 32.890 45.038 1.00 43.89 C ATOM 82 O THR 118 0.918 32.443 44.948 1.00 43.89 O ATOM 83 N SER 119 3.131 32.092 45.282 1.00 57.70 N ATOM 84 CA SER 119 2.927 30.680 45.445 1.00 57.70 C ATOM 85 CB SER 119 3.804 29.802 44.525 1.00 57.70 C ATOM 86 OG SER 119 3.445 30.007 43.165 1.00 57.70 O ATOM 87 C SER 119 3.230 30.343 46.879 1.00 57.70 C ATOM 88 O SER 119 3.992 31.052 47.537 1.00 57.70 O ATOM 89 N PHE 120 2.620 29.256 47.411 1.00133.79 N ATOM 90 CA PHE 120 2.779 28.906 48.798 1.00133.79 C ATOM 91 CB PHE 120 1.481 29.122 49.604 1.00133.79 C ATOM 92 CG PHE 120 1.224 30.595 49.657 1.00133.79 C ATOM 93 CD1 PHE 120 0.623 31.243 48.603 1.00133.79 C ATOM 94 CD2 PHE 120 1.592 31.329 50.763 1.00133.79 C ATOM 95 CE1 PHE 120 0.406 32.600 48.658 1.00133.79 C ATOM 96 CE2 PHE 120 1.377 32.687 50.827 1.00133.79 C ATOM 97 CZ PHE 120 0.782 33.325 49.767 1.00133.79 C ATOM 98 C PHE 120 3.129 27.457 48.906 1.00133.79 C ATOM 99 O PHE 120 2.810 26.652 48.029 1.00133.79 O ATOM 100 N ILE 121 3.843 27.100 49.992 1.00100.25 N ATOM 101 CA ILE 121 4.204 25.733 50.237 1.00100.25 C ATOM 102 CB ILE 121 5.187 25.540 51.360 1.00100.25 C ATOM 103 CG1 ILE 121 4.596 25.950 52.719 1.00100.25 C ATOM 104 CG2 ILE 121 6.452 26.333 50.993 1.00100.25 C ATOM 105 CD1 ILE 121 5.351 25.340 53.898 1.00100.25 C ATOM 106 C ILE 121 2.970 24.961 50.579 1.00100.25 C ATOM 107 O ILE 121 2.821 23.812 50.164 1.00100.25 O ATOM 108 N GLN 122 2.048 25.560 51.361 1.00 51.31 N ATOM 109 CA GLN 122 0.913 24.791 51.795 1.00 51.31 C ATOM 110 CB GLN 122 0.804 24.652 53.327 1.00 51.31 C ATOM 111 CG GLN 122 1.923 23.792 53.931 1.00 51.31 C ATOM 112 CD GLN 122 1.633 23.536 55.412 1.00 51.31 C ATOM 113 OE1 GLN 122 0.480 23.584 55.838 1.00 51.31 O ATOM 114 NE2 GLN 122 2.693 23.242 56.217 1.00 51.31 N ATOM 115 C GLN 122 -0.370 25.376 51.296 1.00 51.31 C ATOM 116 O GLN 122 -0.509 26.584 51.112 1.00 51.31 O ATOM 117 N SER 123 -1.355 24.487 51.058 1.00 79.48 N ATOM 118 CA SER 123 -2.639 24.885 50.555 1.00 79.48 C ATOM 119 CB SER 123 -3.528 23.711 50.098 1.00 79.48 C ATOM 120 OG SER 123 -4.050 23.000 51.210 1.00 79.48 O ATOM 121 C SER 123 -3.381 25.650 51.608 1.00 79.48 C ATOM 122 O SER 123 -4.179 26.526 51.279 1.00 79.48 O ATOM 123 N SER 124 -3.162 25.335 52.903 1.00 69.85 N ATOM 124 CA SER 124 -3.867 26.053 53.934 1.00 69.85 C ATOM 125 CB SER 124 -3.572 25.565 55.364 1.00 69.85 C ATOM 126 OG SER 124 -4.066 24.248 55.549 1.00 69.85 O ATOM 127 C SER 124 -3.427 27.482 53.899 1.00 69.85 C ATOM 128 O SER 124 -4.225 28.397 54.103 1.00 69.85 O ATOM 129 N ASN 125 -2.128 27.716 53.655 1.00 40.93 N ATOM 130 CA ASN 125 -1.640 29.060 53.655 1.00 40.93 C ATOM 131 CB ASN 125 -0.110 29.149 53.526 1.00 40.93 C ATOM 132 CG ASN 125 0.481 28.849 54.900 1.00 40.93 C ATOM 133 OD1 ASN 125 0.037 29.411 55.900 1.00 40.93 O ATOM 134 ND2 ASN 125 1.505 27.952 54.959 1.00 40.93 N ATOM 135 C ASN 125 -2.260 29.821 52.525 1.00 40.93 C ATOM 136 O ASN 125 -2.660 30.972 52.694 1.00 40.93 O ATOM 137 N LEU 126 -2.364 29.202 51.338 1.00105.65 N ATOM 138 CA LEU 126 -2.906 29.908 50.222 1.00105.65 C ATOM 139 CB LEU 126 -2.818 29.073 48.927 1.00105.65 C ATOM 140 CG LEU 126 -3.204 29.806 47.624 1.00105.65 C ATOM 141 CD1 LEU 126 -4.677 30.263 47.606 1.00105.65 C ATOM 142 CD2 LEU 126 -2.197 30.926 47.312 1.00105.65 C ATOM 143 C LEU 126 -4.344 30.221 50.512 1.00105.65 C ATOM 144 O LEU 126 -4.783 31.356 50.346 1.00105.65 O ATOM 145 N ASN 127 -5.116 29.215 50.967 1.00 74.28 N ATOM 146 CA ASN 127 -6.526 29.394 51.162 1.00 74.28 C ATOM 147 CB ASN 127 -7.273 28.096 51.513 1.00 74.28 C ATOM 148 CG ASN 127 -8.773 28.383 51.390 1.00 74.28 C ATOM 149 OD1 ASN 127 -9.184 29.370 50.780 1.00 74.28 O ATOM 150 ND2 ASN 127 -9.616 27.512 52.013 1.00 74.28 N ATOM 151 C ASN 127 -6.795 30.360 52.264 1.00 74.28 C ATOM 152 O ASN 127 -7.682 31.202 52.157 1.00 74.28 O ATOM 153 N LYS 128 -6.056 30.257 53.380 1.00 58.63 N ATOM 154 CA LYS 128 -6.378 31.160 54.437 1.00 58.63 C ATOM 155 CB LYS 128 -5.797 30.761 55.803 1.00 58.63 C ATOM 156 CG LYS 128 -6.337 29.425 56.330 1.00 58.63 C ATOM 157 CD LYS 128 -5.744 29.014 57.686 1.00 58.63 C ATOM 158 CE LYS 128 -5.479 27.510 57.818 1.00 58.63 C ATOM 159 NZ LYS 128 -6.684 26.796 58.281 1.00 58.63 N ATOM 160 C LYS 128 -5.829 32.519 54.065 1.00 58.63 C ATOM 161 O LYS 128 -6.316 33.515 54.663 1.00 58.63 O ATOM 162 OXT LYS 128 -4.941 32.581 53.170 1.00 58.63 O