Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTPITVAY--GDGIGPEIMEAVLSMLREAEAKISIDVIEIGERVYNKEWSYGISPSGWESIERTKVLLKSPTTTSQGKGHKSLNVALRKSLGLYANIRPCTSYHPVIENKFDRFDIVVIRENEEDVYTGIEHRLTGNSYQCTKIITRSGSEKICRYAFNYAKRHNRKKVTCLTKDNIMKMTDGIFHTAFDSIAKEYPDIKAEHYIVDIGMARVATEPENFD--VIVTENLYGDILSDI-VAQTSGSVGLAGSSNIGSEYAMFEAVHGSAPNIAGKNIANPSGLLNAAVHMLIYIGQADVAKLVHDAWLKTLEDGI--HTADLYKEKKSKQKVGTKEFAEAVIDNIGKKPGILPELIISNGVSSKISKIQGNCEQDYKVRKLVGSDITLAWDKSSNFNQIVKLFESSNPKVIAIYSKGLAIWPGDSKSLSDQVTCRFIANNEKKTITNIDVNNLLIKLERNSFDVVRMDKLYLYDEKEGFFS |
3BLW Chain:F ((23-354)) | -----TVSFIEGDGIGPEISKSVKKIFSAANVPIEWESCDVSPIFVNGLTT--IPDPAVQSITKNLVALKGPLATP----HRSLNLTLRKTFGLFANVRPAKSIEG-FKTTYENVDLVLIRENTEGEYSGIEHIVCPGVVQSIKLITRDASERVIRYAFEYARAIGRPRVIVVHKSTIQRLADGLFVNVAKELSKEYPDLTLETELIDNSVLKVVTNPSAYTDAVSVCPNLYGDILSDLNSGLSAGSLGLTPSANIGHKISIFEAVHGSAPDIAGQDKANPTALLLSSVMMLNHMGLTNHADQIQNAVLSTIASGPENRTGDLAGTAT------TSSFTEAVIKRL---------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BLW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167355 for 2708 contacts (-61.8/contact) +
2D Compatibility (PS) -33942 + (NN) -7581 + (LL) 8472
1D Compatibility (HY) -27200 + (ID) 6600
Total energy: -234206.0 ( -86.49 by residue)
QMean score : 0.450
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