Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADVVVGIQWGDEGKGKIVDRIAKDYDFVVRYQGGHNAGHTIVHKGVKHSLHLMPSGVLYPKCKNIISSAVVVSVKDLCEEIS-------AFEDLENRLFISDRAHVILPYHAKKDAFKEKSQNIGTTKKGIGPCYEDKMARSGIRMGDLLDDKILEEKLNAHFKAI-EPFKKAYDLGENYEKDLMGYFKTYAPKICPFIKDTTSMLIEA-NQKGEKILLEGAQGTLLDIDLGTYPFVTSSNTTSASACVSTGLNPKAINEVIGITKAYSTRVGNGPFPSEDTTPMGDHLRTKGVEFGTTTKRPRRCGWLDLVALKYACALNGCTQLALMKLDVLDGIDAIKVCVAYERKGERLEAFPSD---LKDCTPIYQTFKGWEKSV-GVRKLDDLEPNAREYIRFIEKEVGVKIGLISTSPEREDTIFL |
2V40 Chain:A ((35-458)) | ---VVLGAQWGDEGKGKVVDLLAQDADIVCRCQGGNNAGHTVVVDSVEYDFHLLPSGIINPNVTAFIGNGVVIHLPGLFEEAEKNVQKGKGLEGWEKRLIISDRAHIVFDFHQAADGIQEQQ------KKGIGPVYSSKAARSGLRMCDLVSDF---DGFSERFKVLANQYKSIYPTLEIDIEGELQKLKGYMEKIKPMVRDGVYFLYEALHGPPKKILVEGANAALLDIDFGTYPFVTSSNCTVGGVCTGLGMPPQNVGEVYGVVKAYTTRVGIGAFPTEQDNEIGELLQTRGREFGVTTGRKRRCGWLDLVLLKYAHMINGFTALALTKLDILDMFTEIKVGVAYKLDGEIIPHIPANQEVLNKVEVQYKTLPGWNTDISNARAFKELPVNAQNYVRFIEDELQIPVKWIGVGKSRESMIQL |
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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) -220914 for 3368 contacts (-65.6/contact) +
2D Compatibility (PS) -42498 + (NN) -8472 + (LL) 936
1D Compatibility (HY) -41200 + (ID) 9350
Total energy: -321498.0 ( -95.46 by residue)
QMean score : 0.507
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