Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRD-GFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLA-STLVSEIGKA-RALQ-E-PT-MERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLL-AETTT----EPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKN-KMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHA--APLFYEVSRMKSA------MP-QYLVNHQDRLKQLKKNI-KTDYPGVFFAGMSYE---GVGIPDCIAGAQTAAKELVDYLEEV |
1S3E Chain:A ((4-456)) | KCDVVVVGGGISGMAAAKLLHDS--GLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNE-VERLIHHVKGKSYPFRGPF--PPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQ----CGGTT-RIIS-TT-------NGGQERKFVGGSGQVSERIMDLLGDRV-KLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKK-DYCGTMIIDGE-EAPVAYTLDD-----TKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILT---QYGRVLRQP-VDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -183873 for 3766 contacts (-48.8/contact) +
2D Compatibility (PS) -44301 + (NN) 3548 + (LL) 1568
1D Compatibility (HY) -16800 + (ID) 3400
Total energy: -243258.0 ( -64.59 by residue)
QMean score : 0.506
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