Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MILSSYNTIQSVFCCCCCCSVQKRQMRTQISLSTDEELPEKYTQRRRPWLSQLSNKKQSNTGRVQPSKRKPLPPLPPSEVAEEKIQVKALYDFLPREPCNLALRRAEEYLILEKYNPHWWKARD-RLGNEGLIPSNYVTENKITNLEIYEWYHRNITRNQAE-HLLRQESKEGAFIVRDSRHL-GSYTISVFMGARRSTEAAIKHYQIKKNDSGQWYVAERHAFQSIPELIWYHQHNAAGLMTRLRYPVGLMGSCLPATAGFSYEK--WEIDPSELAFIKEIGSGQFGVVHLGEWRSHIQVAIKAINEGSMSEEDFIEEAKVMMKLSHSKLVQLYGVCIQRKPLYIVTEFMENGCLLNYLRENKG-KLRKEMLLSVCQDICEGMEYLERNGYIHRDLAARNCLVSSTCIVKISDFGMTRYVLDDEYVSSFGAKFPIKWSPPEVFLFNKYSSKSDVWSFGVLMWEVFTEGKMPFENKSNLQVVEAISEGFRLYRPHLAPMSIYEVMYSCWHEKPEGRPTFAELLRAVTEIAETW |
| 3VS1 Chain:B ((8-440)) | -----------------------------------------------------------------------------------RIIVVALYDYEAIHHEDLSFQKGDQMVVLEE-SGEWWKARSLATRKEGYIPSNYVA--RVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDT-VKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVP------CMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAV-VTKEPIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVI-------------PIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTF-EYIQSVLDDFYTA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VS1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -243907 for 3189 contacts (-76.5/contact) +
2D Compatibility (PS) -43854 + (NN) -14217 + (LL) 6312
1D Compatibility (HY) -42400 + (ID) 8500
Total energy: -346566.0 ( -108.68 by residue)
QMean score : 0.372
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