Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRRIVVTGMGMINSLGLNKEDSFLAIAKGECGIKNIESFDANAFPVRIAGEITDFDPTEVMNPKDVKKAGRFIQLALKATREAMKDSGILDAHNRCPEELANRMGVSSGSGIGGLGNIEANSIFCFEKGPRKVNPFFITSALVNMIGGFTSIEFGIKGPNLSSVTACAAGTHAIIEAVKTILLNGADRMLVVGAESTICPVGIGGFASIKALSTRNDDPKKASRPFDKDRNGFVMGEGAGALVLEEYESAKKRGAKIYAEFAGYGESGDANHITAPAPEGEGAFRAMKMALEMAKVE---VGYVNAHGTSTHYNDWYESIALKNVFGSKEKVPPVSSTKGQIGHCLGAAGALEAVISIMAMNQGILPPTINQETPDPECDLDYIPNTAREKQ-VNAVMSNSFGFGGTNGVVIFKKA |
| 3HO2 Chain:A ((18-426)) | -RRVVVTGLGMLSPVGNTVESTWKALLAGQSGISLIDHFDTSAYATKFAGLVKDFNCEDIISRKEQRKMDAFIQYGIVAGVQAMQDSGL-----EITEENATRIGAAIGSGIGGLGLIEENHTSLMNGGPRKISPFFVPSTIVNMVAGHLTIMYGLRGPSISIATAATSGVHNIGHAARIIAYGDADVMVAGGAEKASTPLGVGGFGAARALSTRNDNPQAASRPWDKERDGFVLGDGAGMLVLEEYEHAKKRGAKIYAELVGFGMSSDAYHMTSPPENGAGAALAMANALRDAGIEASQIGYVNAHGTSTPAGDKAEAQAVKTIFGEAASRVLVSSTKSMTGHLLGAAGAVESIYSILALRDQAVPPTINLDNPDEGCDLDFVPHEARQVSGMEYTLCNSFGFGGTNGSLIFKKI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HO2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167309 for 4052 contacts (-41.3/contact) +
2D Compatibility (PS) -42893 + (NN) -18077 + (LL) 416
1D Compatibility (HY) -25600 + (ID) 10100
Total energy: -263563.0 ( -65.05 by residue)
QMean score : 0.426
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