Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQENVPLSYDYSISKLFLYAMIAFGIIGMLIGIVLAFELSFPSLNYIAGEYGVFGRLRPLHTNAVIYGFTLGGIWASWYYIGQRVLKITYHQHPFLKIVGLLHFWLWILLLVLGVISLFAGLTQSKEYAELMWPLDIIVVVAWVLWGVNMFGSMSVRRENTIYVSLWYYIATYVGIAVMYIFNNLSIPTYFVADMGSVWHSISMYSGSNDALIQWWWGHNAVAFVFTSGVIGTIYYFLPKESGQPIFSYKLTLFSFWSLMFVYIWAGGHHLIYST--VPDWVQTLSSVFSVVLILPSWGTAINMLLTM---------RGQWHQLKESPLIKFLVLASTFYMLSTLEGS----IQAIKSVNALAHFTDWIIGHVHDGVLGWVGFTLIASMYHMTPRLFKREIYSGRLVDFQFWIMTLGIVLYFSSMWIAGITQGMMWRDVDQYGNLTY--QFIDTVK-ALIPY-YNIRGVGGLMYFIGFIIFAYNIFMTITAGKKLEREPNYATPMAR |
3S33 Chain:A ((235-508)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WWTGHPIVYFWLLPA-YAIIYTILPKQAGGKLVSDPMARLAFLLFLLLSTPVGFHHQFADPGIDPTW-KMIHSVLTLFVAVPSLMTAFTVAASLEFAGRLRGGRGLFGWIRALPWDNPAFVAPVLGLLGFIPGGAGGIVNASFTLDYVVHNTAWVPGHFHLQVASLVTLTAMGSLYWLLPNLTGKPIS-----DAQRRLGLAVVWLWFLGMMIMAV--GLHWAGLLNVPRRAYIAQVPDAYPHAAVPMVFNV--LAGIVLLVALLLFIYGLFSVLLSR---ERKPELAEAPLP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S33.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179563 for 1924 contacts (-93.3/contact) +
2D Compatibility (PS) -25094 + (NN) 2457 + (LL) 19652
1D Compatibility (HY) -24400 + (ID) 3400
Total energy: -210348.0 ( -109.33 by residue)
QMean score : 0.251
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