Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAILRGRAPLRLGLGGGGTDVEPYSSQFGGRILSVTIDKYAYAFAERGTGDEIAFRSPDRDRAGQASIDDLASLEEDFPLHVAVYRRVIAEFNGGTPFPLQLATQVDAPPGSGLGSSSALVVAMLLTTCALIGSSPGPYELARLAWEIERVDLGMAGGWQDHYAAAFGGFNFMESRPNGEVVVNPLRIRREVIAELEASLLLYFGGVSRLSSEVIADQQRNVVERDADALAATHSICAEALEMKDLLVVGDIPGFADSLLRGWQAKKRTSTRISNPAIEHAYQVAQSSGMVAGKVSGAGGGGFLMMIVDPRRRIEVARSLERECGGSVAPCLFTKGGAVTWHIPESTAPVRRGVADAVASALGNAGILLCAGCVLATSHSTWRVPV |
4N3O Chain:A ((7-342)) | ---IRTQTPLRLGLAGGGTDINLYCDKYTGYVLNATISLYIHCTLIKREDGKIIFDSPDTNSYCEYESKEFLGNDGKLDIFKSIYNRIVKDFTK-KPLSFSLHTYSDVPSGSGLGGSSTLVVGVIKAFAEWLNLPLGEYEIAKLAYEIEREDLGIVGGAQDQYAATFGGFNFMEFYNNKRVIVNPLRIKNWIASELEARTVLYFTNITREAK----------------SLEAMHAIKQDAIKMKEALFRADFGTLAQILGKSWRSKKIISEIVSNDELERIYKLAIDNGAYSGKTSGAGAGGFMFFFVDPTKKYNLIKALRKE-QGYVQDFSFTKEGVKSWRI------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4N3O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173128 for 2605 contacts (-66.5/contact) +
2D Compatibility (PS) -35380 + (NN) -19413 + (LL) 4556
1D Compatibility (HY) -25200 + (ID) 6400
Total energy: -254965.0 ( -97.88 by residue)
QMean score : 0.483
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