Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSEEDERFLPLGEDGDLKEAH--AIQKSL--YYDQALEEIMLLDEAGNDFSRERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAPSSHESNEGVIEADNPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGDIIGLYDTGNYQIGDTITNGSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTWRTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVKEEDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL |
3TR5 Chain:A ((6-477)) | ----VEKQTAMRRTFAIISHPDAGKTTLTEKLLLFGGAIQLAGTIKSR----HATSDWMELEKQRGISVTTSVMQFPYKDYLINLLDTPGHADFTEDTYRTLTAVDSALMVIDAAKGVEPRTIKLMEVCRLRHTPIMTFINKMDRDTRPSIELLDEIESILRIHCAPVTWPIGMGKYFKGIYHLIEDAIYLYQPGKHER---VGESERIEGINNPELDKKLGDLASELRNEIELVKGASHPFEREGYLKGELTPIFFGSAINNFGVGELLDAFVKEAPPPQGRETNSRLVKPEEEKFSGFVFKIQANMD-GHRDRIAFLRIASGQYQKGMKAYHVRLKKEIQINNALTFMAGKRENAEEAWPGDIIGLHNHGTIQIGDTFTQG-ERFKFTGIPNFASELFRLVRLKDPLKQKALLKGLTQLSEEGATQLFRPLDSNELILGAVGLLQFDVVAYRLENEYNVKCVYESVNVVTARWVICDD---------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TR5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199151 for 3927 contacts (-50.7/contact) +
2D Compatibility (PS) -50027 + (NN) -20202 + (LL) 3408
1D Compatibility (HY) -44800 + (ID) 12100
Total energy: -322872.0 ( -82.22 by residue)
QMean score : 0.546
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