Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNIKKCKQLLMSLVVLTLAVTCLAPMSKAKAASDPIDINASAAIMIEASSGKILYSKNADKRLPIASMTKMMTEYLLLEAIDQGKVKWDQTYTPDDYVY----EISQDNSLSNVPLRKDGKYTVKELYQATAIYSANAAAIAIAEIVAGSETKFVEKMNAKAKELGLTDYKFVNATGLEN---KDLHGHQPEGTSVNEESEVSAKDMAVLADHLITDYPEILETSSIAKTKFREGTDDEMDMPNWNFMLKGLVSEYKKATVDGLKTGSTDSAGSCFTGTAERNGMRVITVVLNAKGNLHTGRFDETKKMFDYAFDNFSMKEIYAEGDQVKGHKTISVDKGKEKEVGIVTNKAFSLPVKNGEEKNYKAKVTLNKDNLTAPVKKGTKVGKLTAEYTGDEKDYGFLNSDLAGVDLVTKENVEKANWFVLTMRSIGGFFAGIWGSIVDTVTGWF |
3BEC Chain:A ((15-338)) | -------------------------------------IDAESYILIDYNSGKVLAEQNADVRRDPASLTKMMTSYVIGQAMKAGKFKETDLVTIGNDAWATGNPVFKGSSL--MFLKPGMQVPVSQLIRGINLQSGNDACVAMADFAAGSQDAFVGLMNS-----------YVNALGLKNTHFQTVHGLDADG------QYSSARDMALIGQALIRDVP---NEYSIYKEK--EFTFNGIRQLNRN----GLLWD-NSLNVDGIKTGHTDKAGYNLVASATEGQMRLISAVMG--GRTFKGREAESKKLLTWGFRFFETVNPLKVGKEFASE---PVWFGDSDRASLGVDKDVYLTIPRGRMKDLKASYVLNSSELHAPLQKNQVVGTINFQLDG------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BEC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104280 for 2622 contacts (-39.8/contact) +
2D Compatibility (PS) -34109 + (NN) -9792 + (LL) 9516
1D Compatibility (HY) -21200 + (ID) 5550
Total energy: -165415.0 ( -63.09 by residue)
QMean score : 0.530
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