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:A ((6-311)) | --NKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAG----ANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVHAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKP--- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3PQD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -203072 for 2570 contacts (-79.0/contact) +
2D Compatibility (PS) -31585 + (NN) -12489 + (LL) 704
1D Compatibility (HY) -19600 + (ID) 5400
Total energy: -271442.0 ( -105.62 by residue)
QMean score : 0.543
|
|
|