Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKIVVVGTNHAGTAAIKTMLSNYGEANEIVTFDQNSNISFLGCGMALWIGEQIDGPEGLFYSDKEQLESMGAKVYMNSPVLNIDYDKKEVTALV--DGKEHVESYEKLILATGSQPIIPPIKGVEIQEGSREFKATLENLQFVKLYQNSEEVIEKLAK-PGINRVAVVGAGYIGVELAEAFQR-IGKEVTLVDVADTCMGGYYDRDFTDMMSKNLEDHGIRLAFGQAVQAVEGDG-KVERLVTDKETFDVDMVILAVGFRPNTELGAG-KLDTFRNGAWVVDKKQETSVKDVYAIGDCATIWDNSRDDINYIALASNAVRTGIVAAHNACGTELEGAGVQGSNGISIYGLNMVSTGLTLEKAKQAGYNAVETGFNDLQKPEFIKHNNHEVAIKIVYDKDSRVILGCQMV---SHEDVSMGIHMFSLAIQEKVTIEKLALTDIFFLPHFNKPYNYITMAALGAKD |
3IWA Chain:A ((4-459)) | -KHVVVIGAVALGPKAACRFKRLDP-EAHVTMIDQA------------------------------------VEALVETRAHAIDRAAHTVEIENLRTGERRTLKYDKLVLALGSKANRPPVEGMDL-----------AGVTPVTNLDEAEF-VQHAISAGEVSKAVIVGGGFIGLEMAVSLADMWGIDTTVVELADQIMPGFTSKSLSQMLRHDLEKNDVVVHTGEKVVRLEGENGKVARVITDKRTLDADLVILAAGVSPNTQLARDAGLELDPRGAIIVDTRMRTSDPDIFAGGDCVTIPNLVTGKPGFFPLGSMANRQGRVIGTNLADGDATFPGAVGSWAVKLFEGSASGAGLTVEGALREGYDAVNVHVEQ------------IMTLQLVVDRPTRRVLGIQGFSTLGD-ALTARINAVATMLASKPTVEDISNAEVV--------MDIVNVAGNVADN |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IWA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -255891 for 3394 contacts (-75.4/contact) +
2D Compatibility (PS) -41381 + (NN) -10716 + (LL) 3892
1D Compatibility (HY) -21200 + (ID) 5350
Total energy: -330646.0 ( -97.42 by residue)
QMean score : 0.570
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