Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNTYCLLGNPNTGKTSLFNALTGSYEYVGNWSGVTVEKKVGTLR-SKTGKLIDLPGIYDLNPISRDETVVTRFLLEEKFDCMLNIVDSSQIERNLNLTIQLLEFGAPVVMGLNMIDVAAGRGIHLNIQNLAKKLRIPILPVVARSGKGTDDILTTLSEKHVAPAIPLVLP-YGEPAEKAIAEIQALTKDIIPTKQSRWLAVQFLSKNEVTEEFLTTSP-MFEQLKDIRSDLEIALAGKLENHFHQVRVNYIHDICLTSVEYTRNSDIPLSDKLDKIFTHKFFGIPIFLGIMWLIFQITFTWVGAPLSDLLDGFIGGSLTDWVTSFLTTIGASGFITDLVADGIIAGVGGVLVFVPQILVIFFFISVLEDSGYMARIAVVMDRVMEIFGLNGKAFIPMIIGFGCNVPGIMAARSIEESKERTLTILVSPFMSCSARLPVYALFVGVFFEKYQALVVLSLYVIGILMALIVTKILSKTLLKKDNSVFVVELPPYRLPSLKTLWRSTWEKGKGFLRKAGTFIFAGSVIIWLLNYAGPSGLDVPMGESFLAIIGGMLAPLLVPLGFGTWQAGATLIPGFLAKEVVVSTMAIIYAVGESSMGSIVSTFYTPLSAYCFMLFILLYIPCLATVAAIRKETSSWKWTAFAVAYPLITAYVLVFLVYQIGSLFV |
3B1W Chain:B ((7-261)) | ------ALIGNPNSGKTSLFNLITGHNQRVGNWPGVTVERKSGLVKKNKDLEIQDLPGIYSMSPYSPEAKVARDYLLSQRADSILNVVDATNLERNLYLTTQLIETGIPVTIALNMIDVLDGQGKKINVDKLSYHLGVPVVATSALKQTGVDQVVKKAAHTTTSTVGDLAFPIYDDRLEAAISQILEVLGNSVPQRSARFYAIKLFEQDSLVEAELDLSQFQRKEIEDIIRITEEIFTEDAESIVINERYAFIERVCQMAE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B1W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165865 for 2043 contacts (-81.2/contact) +
2D Compatibility (PS) -27112 + (NN) -11104 + (LL) 33644
1D Compatibility (HY) -15600 + (ID) 4450
Total energy: -190487.0 ( -93.24 by residue)
QMean score : 0.491
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