Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNK-WTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAAL-ISLTWLIGFLISIP-PMLGWRTPEDRSDPDACTISKDH--GYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHR--------VGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKM-ALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTL--LGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ |
4NC3 Chain:A ((33-415)) | ---------------------------------------ALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQ-ANQYNSRATAFIKITVVWLISIGIAIPVPIKGIET-VDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFL-----------TIHALQKKAADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRA-----------------------KDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCD-SCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209410 for 2466 contacts (-84.9/contact) +
2D Compatibility (PS) -34898 + (NN) -2994 + (LL) 3632
1D Compatibility (HY) -40400 + (ID) 6000
Total energy: -290070.0 ( -117.63 by residue)
QMean score : 0.324
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