Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTNPKRGAIRELLALLRPFRAIVAVSIALGMAGGLAITLLLASINNALHSENGLGQGVLLSFGGLCLLALVSSIVSDIGTSYVGQHIIAKLRKELGEKVLSAPIEQIERYRTHRLIPVLTHDIDTISDFSFSFTPLAIALTITFGCLGYLAYLSVPMFLLTVVAIVIGTAAQYLARSRGFKGFYAARDLEDELQKHYTAIASGAKELRIHRPRRYRMHTGRISETANNIRDLHISSINIFILAKTFGSMLFFVVIGLALTLQAYWPSSNPAAITGFVMVLLYMKGPLEQVVTILPIVSRAQVAFQRVAELSERFSSPEPHLLLSEQEAPDKTVDSL---ELRDVRYSPPAVEGSEPFHLGPINLRIAQGDIVFIVGENGCGKTTLIKLLLGLYRPQSGEILLNGEPVSAETRDDYRQLFSTIFADYYLF-----DDLVQG----------KQASLQNATQYLQRLEIAHKVSVMDGNFSTTDLSTGQRKRLALINAWLEERPVLVFDEWAADQDPA----FRRVFYTELLPDLKRQGKTIIVISHDDRYFEMADQLIRLSAGKVVKETETA |
4RY2 Chain:A ((431-703)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKEL-----------------GDIEFRNVDFRY----GLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLCLGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFL---NESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYG-LEDDV-----TVIIIAHRLSTIVNCDKIYLLKDGEIVE----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4RY2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -128053 for 1584 contacts (-80.8/contact) +
2D Compatibility (PS) -25887 + (NN) -14297 + (LL) 24116
1D Compatibility (HY) -20800 + (ID) 3950
Total energy: -168871.0 ( -106.61 by residue)
QMean score : 0.411
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