Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLIHICCSVDNLYFLKKAKEAFAGEKIVGFFYNPNIHPYSEYLLRLEDVKRTCEMLGIELLEGDYELEKF--LDKAKGKELLGEKSERCFECFDLRLEASA-LKAFELGEEKFTTTLLTSPKKDPNQLIAKGQHIAQRHNLEFVVFRNDNFEHFKSELDLNLQALARENELYRQNYCGCQFALKIQKESQNRSPFELYSPLKRQILPASIEERTQVFRELDAAKKDANKPFLAQKTIATYRLLNGGVWLSKNSNPLDCCILARSKSKAKVRINDLRWVFSQRLSALVGYSQRDETLFLTLEGLNTLMAKNYDNLKELNLNPLSYEEELSLRALVSGSESINPIIVLEERTEKTLFVEIKSIFQEEKVFYLL |
3BL5 Chain:A ((7-118)) | -IVVFSGGQDSTTCLLWALKE--FEEVETVTFHYNQRHSQE----VEVAKSIAEKLGVKNHLLDMSLLNQLAPNALT---------STFVPGRNLVFLSFASILAYQIGARHIITGVCEGYPDCRDEFVKSCNVTVNLAMEKPFVIHTPLMWLNKAETWKLADELGALDFVKNNTLTCYNGIIADGCGECPACHLRSKGYEEYMVMK-------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BL5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -49140 for 626 contacts (-78.5/contact) +
2D Compatibility (PS) -10076 + (NN) -4210 + (LL) 13100
1D Compatibility (HY) -1200 + (ID) 850
Total energy: -52376.0 ( -83.67 by residue)
QMean score : 0.485
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