Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDILRKGNKDLIKDINRYTVLNLIREKGEITRTEIAKKCDFGMSTLTYILDDLQQEGIILEGAETSSTGGRRAKLVRFNKDYGFVVSVKVEEEQLLFALTDLNAEIIENTSIPFSSEKKPEEAIELIAKNVKKMCGNRDMNHLLGVGIAISGLVNRKKGTVIRSTMLGWENVALEAMLHAHFPDIPVYVDKNINCYTLAELWLGEGKQSNNFATVSVGAGLGLSVVINRQIYYGAQGGAGEFGHTTIQPGGYKCHCGQKGCLEMYASEFYFRNRGEELKEAYPTSE-----LNDFHFD-----KVAKSARAGDEMATELMGKMGEYLGYGIRNIINTFNPEKVIIVGEGLHHRDLFLTKIDEIASQNFFSGAGFETEITTTSLEDPAWLQGAALLVIHQLFQVPIYEEEQTLLR |
3VGL Chain:A ((2-273)) | ----------------------------------------------------------------------------------GLTIGVDIGGTKIAAGVVDEEGRILSTFKV-----ATPPTAEGIVDAICAAVAGASEGHDVEAVGIGAAGYVDDKRATVLFAPNIDWRHEPLKDKVEQRV-GLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVPDGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPI------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -120656 for 2237 contacts (-53.9/contact) +
2D Compatibility (PS) -28414 + (NN) -13635 + (LL) 9996
1D Compatibility (HY) -14000 + (ID) 3300
Total energy: -170009.0 ( -76.00 by residue)
QMean score : 0.430
|
|
|