Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADQLTPHLEIPTAIKPRDGRFGSGPS---KVRLEQLQ----TLTTTAAALFGTSHRQAPVKNLVGRVRSGLAELFSLPDGYEVILGNGGATAFWDAAAFGLIDKRSL--HLTYGEFSAKFASAVSKNPFVGEPIIITSDPGSA-------PEPQTDPSVDVIAWAHNETSTGVAVAVRRPEGSDDALVVIDATSGAGGLPVDIAETDAYYFAPQKNFASDGGLWLAIMSPAALSRIEAIAATGRWVPDFLSLPIAVENSLKNQTYNTPAIATLALLAEQIDWLVGNGGLDWAVKRTADSSQRLYSWAQERPYTTPFVTDPGLRSQVVGTIDFV-DDVDAGTVAKILRANGIVDTEPYRKLGRNQLRVAMFPAVEPDDVSALTECVDWVVERL |
2BIG Chain:A ((7-354)) | --------------------NFNAGPSALPKPALERAQKELLNFNDTQMSVMELSHRSQSYEEVHEQAQNLLRELLQIPNDYQILFLQGGASLQFTMLPMNLLTKGTIGNYVLTGSWSEK---ALKEAKLLGETHIAASTKANSYQSIPDFSEFQLNENDAYLHITSNNTIYGTQYQ-NFPE-INHAPLIADMSSDILSRPLKVNQFGMIYAGAQKNLGPSGVTVVIVKKDLLNTKVEQ-------VPTMLQYATHIKS---DSLYNTPPTFSIYMLRNVLDWIKDLGGAEAIAKQNEEKAKIIYDTIDESNGFYVGHAEKGSRSLMNVTFNLRNEELNQQFLAKA-KEQGFVGLNGHRSVGG--CRASIYNAVPIDACIALRELM------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BIG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146060 for 2779 contacts (-52.6/contact) +
2D Compatibility (PS) -36074 + (NN) -22324 + (LL) 3216
1D Compatibility (HY) -15200 + (ID) 3950
Total energy: -220392.0 ( -79.31 by residue)
QMean score : 0.437
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