Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLA-----GCVKKHVNHEIS-------YKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTL-VGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGR--IHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQK-IKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKG--EIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |
1ACO Chain:A ((21-748)) | -----------------------------------------------LEKNIDIVRKRLNRPLTLSEKIVYGHLDDPANQEIERGKTYLRLRPDRVAMQDATAQMAMLQFIS--------SGLPKV---AVPSTIHCDHLIEAQLGGE-----KDLRRAKDINQEVYNFLATAGAKY-GVGFWRPGSGIIHQIILENYA----------YPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGRAD-IANLADEF-KDHLVPDSG--CHYDQLIEINLSELKPHINGPFTPDLAHPVAEVG-------SVAE-KEGWPL---DIRVGLIGSCTNSSYEDMGRSAA-VAKQALAHGLKCK--SQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWD--RKDIKKGEKN-----TIVTSYNRNFTGRNDANPETHA-FVTSPEIVTALAIAGTLKFNPETDFLT-GKDGKKFKLEA--PDADELPRA---------------EFDPGQDTYQHPPKDSSGQRVDVSPTSQRLQ-------LLEPFDKWDGKDLEDLQILIKVKGKCTTDHISAAGP---------WLK--------FRGHLDNISN-NLLIGAINSENRKANSV--------RNAVTQEFGPVPDTARYYKQHGIRWVVIGDENYGEGSSREHSALEPRFLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPVDKLTIQGLKDFAPGKPLTCIIKHPNGTQETILLNHTF-NETQIEWFRAGSALNRMKELQQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ACO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -319456 for 6692 contacts (-47.7/contact) +
2D Compatibility (PS) -76232 + (NN) -21271 + (LL) 7468
1D Compatibility (HY) -32400 + (ID) 12050
Total energy: -453941.0 ( -67.83 by residue)
QMean score : 0.419
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