Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVVGDFPIETDTIVIGAGPGGYVAAIRAAQLGQKVTIVEK-GNLGGVCLNVGCIPSKALLHASHRFVEAQH-SENLGVIA-ESVSLNFQKVQEFKSSVVNKLTGGVEGLLKGNKVNIVKGEAYFVDNNSLRVMDE-KSAQTYNFKNAIIATGSRPIEIPNFKFG-KRVIDSTGALNLQEVPGKLVVVGGGYIGSELGTAFANFGSEVTILEGAKDILGGFEKQMTQPVKKGMKE-KGVEIVTEAMAKSAEETDNGVKVTYE-AKGEEKTIEADYVLVTVGRRPNTDELGLEELGVKFADRGLLEVDKQSRTSISNIYAIGDIVPG-LPLAHKASYEAKVAAEAIDGQAAEVDYIGMPAVCFTEPELATVGYSEAQAKEEGLAIKASKFPYAANGRALSLDDTNGFVKLITLKEDDTLIGAQVVGTGASDIISELGLAIEAGMNAEDIALTIHAHPTLGEMTMEAAEKAIGYPIHTM |
2QAE Chain:A ((1-467)) | -------NPYDVVVIGGGPGGYVASIKAAQLGMKTACVEKRGALGGTCLNVGCIPSKALLHATHLYHDAHANFARYGLMGGEGVTMDSAKMQQQKERAVKGLTGGVEYLFKKNKVTYYKGEGSFETAHSIRVNGLDGKQEMLETKKTIIATGSEPTELPFLPFDEKVVLSSTGALALPRVPKTMVVIGGGVIGLELGSVWARLGAEVTVVEFAPRCAPTLDEDVTNALVGALAKNEKMKFMTSTKVVGGTNNGDSVSLEVEG---KRETVTCEALLVSVGRRPFTGGLGLDKINVAKNERGFVKIGDHFETSIPDVYAIGDVVDKGPMLAHKAEDEGVACAEILAGKPGHVNYGVIPAVIYTMPEVASVGKSEDELKKEGVAYKVGKFPFNANSRAKAVSTEDGFVKVLVDKATDRILGVHIVCTTAGELIGEACLAMEYGASSEDVGRTCHAHPTMSEALKEACMALFAKTIN-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -222459 for 4042 contacts (-55.0/contact) +
2D Compatibility (PS) -49061 + (NN) -4305 + (LL) 632
1D Compatibility (HY) -36000 + (ID) 9750
Total energy: -320943.0 ( -79.40 by residue)
QMean score : 0.554
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