Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADLKIRNLQKGFD-GQAII---KGIDLDVRDREFVVFVGPSGCGKSTLLRLIAGLEEASGGSIALDGTDITD------TPPAKRDLAMVFQTYALYPHMTVRRNLSFAL------DLAGVDKREVAAKVDAAARILELQALLERKPRQLSGGQRQRVAIGRAIVRNPKIFLFDEPLSNLDAALRVQMRLELARLHQELAATMIYVTHDQVEAMTLADKVVVLNGGRVEQVGSPLELYHHPANLFVAGFLGTPKMGFLRGHLSRNQGERCEVALECGARVGLPLCAGELATGSPVTLGIRPEHLNIARPGHAFQGLLRVAADVSERLGSDSFCHVRADSGEMLTLRVRGDFAPDYGAPLELGFDPEHCHLFDSNGQALDKRLQQAA |
3TIF Chain:B ((2-225)) | ---VKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFA--NHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHD-INVARFGERIIYLKDGEVER------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TIF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136640 for 1661 contacts (-82.3/contact) +
2D Compatibility (PS) -22623 + (NN) -9665 + (LL) 8704
1D Compatibility (HY) -16000 + (ID) 3750
Total energy: -179974.0 ( -108.35 by residue)
QMean score : 0.588
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