Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGAD-PLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFL--LADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL |
2VPQ Chain:B ((2-444)) | --KKVLIANRGEIAVRIIRACRDLGIQTVAIYSEGDKDALHTQIADEAYCVGPTLSKDSYLNIPNILSIATSTGCDGVHPGYGFLAENADFAELCEACQLKFIGPSYQSIQKMGIKDVAKAEMIKANVPVVPGSDGLMKDVSEAKKIAKKIGYPVIIKATAGGGGKGIRVARDEKELETGFRMTEQEAQTAFGNGGLYMEKFIENFRHIEIQIVGDSYGNVIHLGERDCTIQRRMQKLVEEAPSPILDDETRREMGNAAVRAAKAVNYENAGTIEFIYDLNDNKFYFMEMNTRIQVEHPVTEMVTGIDLVKLQLQVAMGDVLPYKQEDIKLTGHAIEFRINAENPYKNFMPSPGKIEQYLAPGGYGVRIESACYTNYTIPPYYDSMVAKLIIHEPTRDEAIMAGIRALSEFVVLGIDTTIPFHIKLLNNDIFRSGKFNTNFLEQN----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VPQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225989 for 3947 contacts (-57.3/contact) +
2D Compatibility (PS) -48292 + (NN) -21654 + (LL) 2848
1D Compatibility (HY) -40000 + (ID) 12200
Total energy: -345287.0 ( -87.48 by residue)
QMean score : 0.528
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