Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRKIGIIGMGHVGSTVAHALIAQGIGDDYVFIDTNIDKVNADMIDFQDALANATYHANIVLNDYDALSDADVVISALGDISLQNNKEANRFAELPFTSKEVYD-VSQKLKSSGFRGILIVVTNPVDAITQLYQEYTQFPKSRVIGTGTLLDTARMKRVLGQRLQVDPRSIGGYNLGEHGNSQFVAWSQVTVKGQPAISLL------KAEELEQIKEASLKGGHTVFFGKKYTSYGIATAAVRIVLAVLNDSHELLPVSTF----YESEGVYLGYPAIIGRVGIVERISLSLSPKEEQQLTDSAAFIRNYLKHINL |
3PQD Chain:C ((6-311)) | --NKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAG------------RLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKP--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PQD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200567 for 2498 contacts (-80.3/contact) +
2D Compatibility (PS) -30899 + (NN) -12455 + (LL) 996
1D Compatibility (HY) -19600 + (ID) 5300
Total energy: -267825.0 ( -107.22 by residue)
QMean score : 0.555
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