1 T0104 - alpha/beta ff -561.9636 -561.9638
2 SEED=-7203457 ONE_LETTER MINIMIZE PDBOUT
3 MAXMIN=2000 MAXFUN=5000
4 WSC=1.0000 WSCP=1.43178 WELEC=0.41501 WANG=0.37790 WSCLOC=0.12880 WTOR=1.98784 &
5 WTORD=0.0 WCORRH=2.50526 WCORR5=0.23873 WCORR6=0.76327 WEL_LOC=2.97687 &
6 WTURN3=0.09261 WTURN4=0.79171 WTURN6=0.01074 CUTOFF=7.00000 WCORR4=0.00000
8 XMESLTQYIPDEFSMLRFGKKFAEILLKLHTEKAIMVYLNGDLGAGKTTLTRGMLQGIGHQGNVKSPTYTLVEEYNIAGK
9 MIYHFDLYRLADPEELEFMGIRDYFNTDSICLIEWSEKGQGILPEADILVNIDYYDDARNIELIAQTNLGKNIISAFSNX
12 92.3101 123.7186 131.2912 134.7623 134.1039 128.1045 116.5631 93.4332
13 98.1120 146.3230 118.0355 117.6763 118.4548 127.0887 137.5578 134.8832
14 130.7706 93.4504 94.9383 137.5790 128.9195 137.7104 137.2994 123.2750
15 113.4763 122.7187 134.7088 141.5454 121.2433 92.8481 94.4851 133.7549
16 116.5636 133.0204 139.1337 127.7194 145.2717 114.2868 153.8274 110.4288
17 95.9334 132.4439 94.8441 92.0719 93.3958 91.7239 92.9155 93.4368
18 92.1848 91.9840 105.4214 131.9885 115.9172 94.4078 90.9125 92.6613
19 94.1291 96.4748 111.3599 93.8436 96.3533 97.2764 139.3923 95.9940
20 110.7865 93.5229 90.7577 90.9380 91.2819 91.8015 95.2889 92.6789
21 99.2158 142.1909 144.5850 140.6325 122.9322 92.5843 95.3150 130.5665
22 129.6679 155.0590 131.7607 136.1581 130.9996 91.4418 91.8734 86.9795
23 90.0324 91.3427 93.5699 126.4189 92.3751 94.6064 121.6985 93.5535
24 111.0496 92.9966 94.1057 142.8556 121.2879 141.5478 127.0783 138.3991
25 135.0942 121.5593 92.1225 92.6298 104.2105 137.2374 132.2374 127.3147
26 136.1384 139.9894 116.8857 114.2391 93.5486 96.4544 131.9541 117.3544
27 135.0945 114.0380 94.0772 98.3201 148.4264 104.5062 136.3017 127.5986
28 139.5433 118.2962 134.9369 112.4552 137.7687 142.6436 101.4146 93.0009
29 94.2171 122.4682 131.9701 141.0327 117.2424 133.2315 108.7625 127.9202
30 119.7736 136.4175 95.8040 90.6883 96.2623 126.9276 136.8390 130.9581
31 138.6604 119.6779 146.9475 128.5864 130.1775 94.3260
32 173.2136 -164.4773 -145.5179 -177.0061 -143.4805 -179.9353 -102.3214 31.6055
33 17.1654 -117.2760 -148.5178 -161.6546 -156.0447 -163.9889 -141.6911 -174.8980
34 -71.3805 -11.0172 80.4917 -148.6635 -163.6913 -136.2985 -168.6432 -149.4124
35 -153.2685 -166.5650 -130.2574 -179.4091 -88.1063 4.3885 77.3853 -159.4988
36 -163.9889 -132.7894 -175.4001 -131.9761 -172.6374 163.1125 -164.7968 -6.6353
37 120.7526 145.2155 58.1442 88.0357 66.1727 63.3351 93.7530 66.2422
38 104.2672 31.1309 -68.8870 -167.2880 58.9236 -136.5386 63.5992 78.6804
39 74.9741 45.9613 -178.1295 72.7955 43.8103 63.1447 -173.8384 -1.2911
40 -152.6604 82.4580 58.6637 63.0189 52.7425 72.0662 104.5989 53.6457
41 142.9965 -155.7308 -143.1363 -171.5301 -82.3072 -3.6072 83.2501 -157.7138
42 -162.2945 -158.0871 -140.3251 -165.1562 176.5479 84.9004 65.0937 70.2608
43 84.0349 63.0057 68.5388 -163.4448 82.3915 72.3251 175.6589 57.6817
44 133.2919 74.4381 118.4431 -101.4048 -116.3630 -163.1610 -127.5868 -171.0806
45 -143.8838 93.1430 -7.6180 -80.4190 -174.2981 -140.6583 -165.6504 -123.5194
46 -167.3092 -150.3904 -12.9974 -98.2367 49.2104 70.2972 -144.1498 -93.2646
47 -12.7476 -148.4392 27.7578 134.5674 -172.7468 -158.7901 -152.0055 -174.9480
48 -138.1333 -171.8533 -152.7683 -163.1546 -161.0002 -172.4341 -95.0459 14.3648
49 71.2612 -165.9943 -172.0580 -143.0533 -170.3199 -152.0221 -157.7268 -159.4822
50 -165.1146 -164.3191 -101.3336 22.4444 56.6602 -157.0796 -169.4964 -146.7078
51 -169.0550 -138.5021 -176.0463 -160.8389 -117.5863
52 121.8564 129.9316 129.9961 162.8937 165.7840 132.5792 131.5602 121.2810
53 100.1378 154.7950 147.4514 136.7587 141.6339 173.8799 164.1823 136.2211
54 138.5947 158.4590 138.1851 169.8995 153.9086 176.4052 135.7134 170.5607
55 166.7884 160.0368 155.1204 176.4163 163.4705 141.6867 125.4920 145.9993
56 146.7978 161.7899 148.0754 167.0512 155.7358 137.1442 126.0174 0.0000
57 103.7862 173.0235 0.0000 129.7957 0.0000 168.4304 116.2600 142.2742
58 151.2254 123.6790 62.2766 0.0000 165.2903 138.0474 122.4135 0.0000
59 119.6778 0.0000 93.5759 136.2007 0.0000 119.9438 149.8361 120.4675
60 119.5906 103.5315 141.9915 82.1028 117.8402 158.9467 167.4859 125.3990
61 105.4290 151.1580 176.3532 163.9360 138.0798 150.0510 120.4425 156.2488
62 157.6131 148.5575 168.8220 145.6735 152.3918 157.6831 94.2367 111.1134
63 147.1821 127.5455 131.5520 124.0747 121.3991 95.8490 152.4995 104.1643
64 149.6327 126.8239 0.0000 141.2347 134.0911 123.5644 132.3382 150.3003
65 164.4745 166.9239 93.4788 116.5113 141.9328 149.3723 176.4900 171.4629
66 154.0646 115.5350 122.8978 137.4525 133.8237 0.0000 133.2989 0.0000
67 131.6320 176.4044 129.9273 86.3275 124.8493 109.5077 169.3199 155.8079
68 165.4323 134.6764 151.5839 131.0036 152.0513 149.6373 158.7615 147.8863
69 129.5545 101.3367 167.2068 148.9003 130.9302 158.7686 162.8607 149.0862
70 130.7561 137.4735 127.8604 150.9814 154.6280 132.9090 155.0460 143.1944
71 170.9694 150.9954 144.5627 142.3474 123.7879 129.5962
72 -29.4131 1.1100 -143.1171 -97.9665 1.7895 -6.5537 -132.1336 -95.9079
73 -95.0405 -10.4981 4.7567 -17.6784 -159.7593 -86.1019 -135.5022 -28.0177
74 -130.5216 -118.7720 -68.9171 -53.7586 19.7151 -83.9094 -175.4983 142.0440
75 -16.6212 -20.6633 -97.0730 -162.7275 -172.7033 -75.1701 -102.8701 -56.5624
76 -75.3573 -106.2767 -66.1810 -157.5938 -16.7749 -149.3525 -85.8768 0.0000
77 -82.7786 -146.5741 0.0000 -76.4134 0.0000 171.5070 -103.3573 -73.4076
78 -5.0887 -117.3873 -84.5265 0.0000 -118.8912 -26.0726 155.1118 0.0000
79 -85.5400 0.0000 -93.2084 135.8203 0.0000 -83.4722 -109.6322 -113.1884
80 -72.4788 -97.7207 -71.3602 -81.8501 -92.0943 -35.6027 -108.6664 -123.1562
81 -68.2395 2.6036 159.1228 -104.1323 -59.4872 -87.1200 -52.7854 9.5707
82 -110.0945 -81.0948 -0.0435 -10.7865 -140.1500 -172.6299 -79.0868 18.8862
83 -140.1079 -74.1051 -133.7571 -130.2226 -129.1095 -70.8082 -7.7510 -85.0784
84 -132.4876 -62.8645 0.0000 -89.5945 -154.4095 -70.0165 -133.2696 -10.1758
85 -169.6194 -66.6761 -83.6713 -78.0480 -74.2358 -92.4624 -164.3765 167.4174
86 -119.6101 -110.8859 -122.0999 36.5036 -107.5198 0.0000 -24.6205 0.0000
87 -98.4332 -157.6352 -154.0155 -85.0985 -48.1503 -79.6074 139.8646 -79.8318
88 -92.5777 -126.8639 -132.5765 -26.2070 138.1272 -169.5449 -160.9390 -170.8736
89 -76.0818 -33.5618 -176.4119 23.7427 18.9940 152.7170 97.7630 -29.4540
90 177.7969 -40.5735 -171.0286 -94.4534 -28.3890 -126.9512 10.8426 -94.9982
91 -81.0245 -111.1587 -80.4363 -150.4993 -78.0719 -155.5342