Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVG--KLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELN-QPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKI--NYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQI--------ANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV |
3K53 Chain:A ((3-268)) | LKTVALVGNPNVGKTTIFNALTGLRQHVGNWPGVTVEKKEGIMEYREKEFLVVDLPGIYSLTAHSIDELIARNFILDGNADVIVDIVDSTCLMRNLFLTLELFEMEVKNIILVLNKFDLLKKKGAKIDIKKMRKELGVPVIPTNAKKGEGVEELKRMIALMAEGKVTTNPIIPRYDEDIEREIKHISELLRGTPLAEKYPIRWLALKLLQRDEEVIKLVLKYLGQEKMDEILKHISELEEKYKRPLDIVIASQKYE-----FLEQLLRKFV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K53.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146612 for 1961 contacts (-74.8/contact) +
2D Compatibility (PS) -27061 + (NN) -8493 + (LL) 34224
1D Compatibility (HY) -21200 + (ID) 4500
Total energy: -173642.0 ( -88.55 by residue)
QMean score : 0.457
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