Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASWSHPQFEKGADDDDKS-----------EPPVSMLMQVAGAVETSKGGEKWAPVTRNK---------FLFVGTQVRTGADG--------GGKLIDQNSGMAQTIGAN---------SVVEITAAGPKAVSGSLSAPEAASGDL-----------VAGLSNRFAEAQ-------RYTTVRRSVKKEAADLKLRVASDITLSPTYPDLV-WENMGAQYGYTLVIDGTSHA------VPATSGEMVRFRVPSLTPGA----HSFGVTVTEGGQAVGQTEKGGTIVWLSATEDKALVDGVARVKAASTGDEFALGNYLDSKG------VTVAAMDAYRKHFASHKDDNDMRP--------------LLIKTYNDLKLRDLRQ--KEALVYNEQLEGN--PG-------------------FSSISAHHHHHHHHHH-- |
3CM8 Chain:A ((12-471)) | IEPFLKTTPRPLRLPDGPPCSQRSKFLLMDALKLSIEIPLYDAIKCMKTFFGWKEPNIVKPHEKGINPNYLLAWKQVLAELQDIENEEKIPKTKNMRKTSQLKWALGENMAPEKVDFEDCKDVSEPKPRSLASWIQSEFNKACELTDSSWIELDEIIASMRRNYFTAEVSHCRATEYIMKGVYINTALLNASCAAMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFS-LTDPRLEPHKWEKYCVLEIGDMLLRTAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFENKSETWPIGESPKGMEEGSIGKVCRTLLAKSVFNSLYASPQLEGFSAESRKLLLIVQALRDNLEPGTFDLGGLYEAIEECLINDPWVLLNASWFNSFLTHALK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CM8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 20706 for 2113 contacts (9.8/contact) +
2D Compatibility (PS) -33469 + (NN) -7296 + (LL) 100
1D Compatibility (HY) -16000 + (ID) 2400
Total energy: -38359.0 ( -18.15 by residue)
QMean score : 0.172
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