Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------------------------------MKNTKGK-------------KITIIIS------IIILILVIATFSGYYYVKS--------QLEPKDEASKEK-ITVEIPAGSSISDISTILEDKKVINNASIFSFYVKYNNDTNLKAG--------NYELSPAMNTDQIVKKMQEG------------------KTVAPAKLVIPEG----------YTLDQIADRIVAYQPKLKKADVLKTMDDPEFVASMIKAYPETVTNDVLN----KSIKHPLEGYLYPATYTFKGTDV-------SAEQIITEMVKATDVNIAK--YRDELTK-QKMSVHKF-LTMSSIIEKEATENVD---------RKMIASVFYNRLAKDMRLQTDPTVLYALGEHKSKTTYKDLEVDSPYNTYKNNGLP-----PGPISNSGDSSMEAALYPEKSDYLYFLANTKTGK----VYFSKTLEEHNKLKEEHITKNN------------------- |
3WMT Chain:A ((18-522)) | SFQAECESFKAKINVTNANVHSVTYVPAGVNISMADNPSICGGDPITSTFAFCRIALNVTTSSKSQIFMEAWLPSNYSGRFLSTGNGGLGGCVKYDDMAYAAGYGFATVGTNNGHFGNNGVSFYQNTEVVEDFAYRALHTGVVVGKELTKNFYPQGYNKSYYLGCSTGGRQGWKSVQTFPDDFDGVVAGAPAFNFINLTSWGARFLTLTGDSSAETFVTETQWTAVHNEIIRQCDSLDGAKD-GIIEDPDLCQPIIEALLCNATQSSTSGTCLTGAQVKTVNGVFSATYGLNGSFLYPRMQPGSELAAYSSYYSGTPFAYAEDWYRYVVFNNTNWDVATWTVQDAAIANAQDPYQISTWNGDLSPFQKKGGKVLHYHGMEDAIISSESSKVY-YKHVADTMNLSPSELDSFYRFFPISGMAHCANADGPSAIGQGTGTFAGNNPQDNVLLAMVQWVEEGVAPDFVRGAKLNGSTVEYRRKHCKYPKRNRYVGPGSYTDENAWECV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WMT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 39600 for 2664 contacts (14.9/contact) +
2D Compatibility (PS) -37051 + (NN) -7030 + (LL) 320
1D Compatibility (HY) -12400 + (ID) 2800
Total energy: -19361.0 ( -7.27 by residue)
QMean score : 0.102
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