Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAIVLIGAQWGDEGKGKATDLLGGRVQWVVRYQGGNNAGHTVVLPTGENFALHLIPSGVLTPGVTNVIGNGVVIDPGVLLNELRGLQDRGV---D-TAKLLISADAHLLMPYHIAIDKVTERYMGSKKIGTTGRGIGPCYQDKIARIGIRVADVLD-PEQLTHKVEAACEFKNQVLVKIYNRKALDPAQVVDALLEQAEGFKHRIADTRLLLNAALEA-GETVLLEGSQGTLLDVDHGTYPYVTSSNPTAGGAAVGSGIGPTRIGTVLGILKAYTTRVGSGPFPTELFDEHGEYLSKTGREFGVTTGRRRRCGWFDAVIARYAARVNGITDYFLTKLDVLSSLESVPVCVGYEIDGRRTRDMPMTQRDLCRAKPVYEELPGWWEDISGAREFDDLPAKARDYVLRLEQLAGAPVSCIGVGPGREQTIVRRDVLQDRP |
2V40 Chain:A ((31-458)) | NRVTVVLGAQWGDEGKGKVVDLLAQDADIVCRCQGGNNAGHTVVVD-SVEYDFHLLPSGIINPNVTAFIGNGVVIHLPGLFEEAEKNVQKGKGLEGWEKRLIISDRAHIVFDFHQAADGIQEQQ---------KKGIGPVYSSKAARSGLRMCDLVSDFDGFSERFKVLANQYKSIYP----TLEIDIEGELQKLKGYMEKIKPMVRDGVYFLYEALHGPPKKILVEGANAALLDIDFGTYPFVTSSNCTVGGVCTGLGMPPQNVGEVYGVVKAYTTRVGIGAFPTEQDNEIGELLQTRGREFGVTTGRKRRCGWLDLVLLKYAHMINGFTALALTKLDILDMFTEIKVGVAYKLDGEIIPHIPANQEVLNKVEVQYKTLPGWNTDISNARAFKELPVNAQNYVRFIEDELQIPVKWIGVGKSRESMIQL-------- |
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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) -228068 for 3502 contacts (-65.1/contact) +
2D Compatibility (PS) -44134 + (NN) -18470 + (LL) 1000
1D Compatibility (HY) -33200 + (ID) 8900
Total energy: -331772.0 ( -94.74 by residue)
QMean score : 0.509
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