1 CASP3 ff protein A -144.87053 min -144.8800
2 SEED=-3059743 MINIMIZE PDBOUT
3 MAXMIN=2000 MAXFUN=5000
4 WSCC=1.00000 WSCP=1.00000 WELEC=1.50000 WTOR=0.08617 WANG=0.103840 &
5 WSCLOC=0.103840 WCORRH=1.50000 WCORR5=0.0 WCORR6=0.0 WTORD=0.0 &
6 WEL_LOC=0.0 WTURN3=0.0 WTURN4=0.0 WTURN6=0.0 CUTOFF=7.00
8 D GLN GLN ASN ALA PHE TYR GLU ILE LEU HIS LEU PRO ASN LEU ASN GLU GLU GLN ARG
9 ASN GLY PHE ILE GLN SER LEU LYS ASP ASP PRO SER GLN SER ALA ASN LEU LEU ALA GLU
10 ALA LYS LYS LEU ASN ASP ALA D
13 92.4224 94.6537 95.3943 92.4680 91.9900 90.1421 88.9633 89.8612
14 89.5043 85.1773 90.5288 90.6618 94.6937 93.9959 98.2648 92.3296
15 91.2300 91.8992 93.7665 93.2736 95.6000 94.7532 90.8285 87.7009
16 86.6353 90.4532 90.8787 92.4998 100.2214 92.9588 93.2514 92.6217
17 94.5199 93.7274 94.3486 92.0404 88.1206 89.5695 89.9338 89.7286
18 90.3532 89.4736 89.3388 87.8626 92.0807 92.5683
19 102.6627 51.3883 38.7889 45.5381 45.1670 46.9659 49.4565 43.6683
20 57.0882 63.1621 149.4009 77.9785 90.4594 -57.8118 -145.4313 56.2675
21 46.9993 39.8350 49.7968 40.3219 36.8923 43.2217 53.9481 53.1410
22 52.5441 49.2307 45.1466 39.5257 170.4107 62.8076 52.1595 122.2457
23 54.7002 44.3682 36.9118 51.7562 51.3155 41.7014 47.7962 49.1309
24 45.9103 45.6531 63.9311 49.2977 98.9343
25 125.2306 164.9792 107.6806 127.4970 124.2803 151.4265 115.3580 133.6661
26 138.5855 77.9337 123.1307 104.0102 98.7953 139.7907 152.5197 124.3639
27 139.1875 120.0419 176.5149 142.6306 0.0000 108.1842 166.2787 101.2541
28 104.1112 112.3936 143.2431 142.2510 110.7892 100.9039 113.3361 91.4100
29 113.3365 129.0213 111.7544 152.7072 158.8155 128.1365 122.1431 130.4135
30 141.1266 127.6890 139.3466 121.8858 101.9802 128.5926
31 -56.7711 -160.4554 -80.2783 -73.9105 -26.8550 6.7539 -61.7324 -101.6820
32 140.1279 -100.2847 -73.5251 -119.4567 -83.7295 -40.4419 -41.9103 118.8055
33 -83.1837 -64.7636 -160.3472 -151.4119 0.0000 -87.5888 169.8919 -148.4770
34 -73.5729 -13.3662 -110.2894 -129.9442 -86.5558 -129.0330 -78.5250 -27.1457
35 -72.4397 -76.1110 -82.1437 -19.9603 -159.6165 -76.5785 -39.4548 -77.1004
36 -141.2728 -40.5575 -92.3464 -134.1509 -80.7362 -76.9463