Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKIQFFDTTLRDGEQTPGVNFDVKEKIQIALQLEKLGIDVIEAGFPISSPGDFECVKAIAKAIKHCSVTGLARCVEGDIDRAEEALKDAVSPQIHIFLATSDVHMEYKLKMSRAEVLASIKHHISYARQKFEVVQFSPEDATRSDRAFLIEAVQTAIDAGATVINIPDTVGYTNPTEFGQLFQDLRREIKQFDDITFASHCHDDLGMATANALAAIENGARRVEGTINGIGERAGNTALEEVAVALHIRKDFYQAETNIVLNQFKNSSDLISRLSGMPVPRNKAVIGGNAYAHESGIHQDGVLKNPDTYEIITPALVGVDKNSLPLG-KLSGKHAFNTRMEEMGYTLTEQEQKDAFKRFKQLADAKKEVTEEDLHALILGQSSESADDFELKHLQVQYVTGGVQGAIVRIEERDGALVEDAATGSGSIEAIYNTINRLMKQDIELTDYRIQAITAGQDAQAEVHVVIKNDKGAEFHGIGIDFDVLTASAKAYLQASGKSKTASKQADFEEVK |
| 3IVS Chain:A ((37-409)) | VNNFSIIESTLREGEQFANAFFDTEKKIQIAKALDNFGVDYIELTSPVASEQSRQDCEAICKLGLKCKILTHIRCHMDDARVAVET----GVDGVDVVIGT-------------TYIIDSATEVINFVKSKGIEVRFSSEDSFRSDLVDLLSLYKAVDKIGVNRVGIADTVGCATPRQVYDLIRTLRGVVS----CDIECHFHNDTGMAIANAYCALEAGATHIDTSILGIGERNGITPLGALLARMYVTDR-EYITHKYKLNQLRELENLVADAVEVQIPFNNYITGMCAFTHKAGIHAKAILANPSTYEILKPEDFGMSR-YVHVGSRLTGWNAIKSRAEQLNLHL---QAKELTVRIKKLA-VR-TLAMDDVDRVLREYHA--------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3IVS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -112344 for 2994 contacts (-37.5/contact) +
2D Compatibility (PS) -38812 + (NN) -18304 + (LL) 11324
1D Compatibility (HY) -22800 + (ID) 5400
Total energy: -186336.0 ( -62.24 by residue)
QMean score : 0.428
|
|
|