Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRRVVVTGIGLITPLAADVENTWLKLINGKSGIKKISR--FDASDLSCKVAGQVPLQHDNIEHCFNPLN-YISEKDLKRTDRFIHYGIAAAIQAVDDSLILENQSINRERIGVAIGSGIGGLPSIQENVIIMQEKGPRRVSPFFVPASLINLISGHVSIKYEFTGPNDSAVTACATGAHAIINSARAIKLGEADVMIAGGSESALCRVGIAGFASMKALSTKFNDKPKEASRPWNEGRDGFVMGEGAGILVLEEYEHAKKRGAKIYAELTGYGLTGDAYHITAPHLEGRGALKAMQLALKSAQINPNQIGYINAHGTSTPLGDKIEVIAIKQLFDDYAYKIPISSTKSSIGHLLGAAGSVEAIFSILVLNNGIVPPTLNLHKPSEGCDLNFIPLKAQEHEIQYALSNSFGFGGTNASLVFGKCS |
2WGD Chain:A ((25-415)) | ---------------ISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGG----------HLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESA---GSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTR-NDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAA---VYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WGD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155300 for 3717 contacts (-41.8/contact) +
2D Compatibility (PS) -40956 + (NN) -21413 + (LL) 2696
1D Compatibility (HY) -22800 + (ID) 7250
Total energy: -245023.0 ( -65.92 by residue)
QMean score : 0.448
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