Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGV---DT-SNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLD-KETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDD-GKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA |
2V40 Chain:A ((31-458)) | NRVTVVLGAQWGDEGKGKVVDLLAQDADIVCRCQGGNNAGHTVVVDSVEYDFHLLPSGIINPNVTAFIGNGVVIHLPGLFEEAEKNVQKGKGLEGWEKRLIISDRAHIVFDFHQAADGIQEQQ---------KKGIGPVYSSKAARSGLRMCDLVSDFDGFSERFKVLANQYKSIYPTL----EIDIEGELQKLKGYMEKIKPMVRDGVYFLYEALHGPPKKILVEGANAALLDIDFGTYPFVTSSNCTVGGVCTGLGMPPQNVGEVYGVVKAYTTRVGIGAFPTEQDNEIGELLQTRGREFGVTTGRKRRCGWLDLVLLKYAHMINGFTALALTKLDILDMFTEIKVGVAYKLDGEIIPHIPANQEVLNKVEVQYKTLPGWNTDISNARAFKELPVNAQNYVRFIEDELQIPVKWIGVGKSRESMIQL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2V40.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200028 for 3507 contacts (-57.0/contact) +
2D Compatibility (PS) -43880 + (NN) -11281 + (LL) 1436
1D Compatibility (HY) -34000 + (ID) 8750
Total energy: -296503.0 ( -84.55 by residue)
QMean score : 0.544
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