Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTKPLQGPPAPPGTPTPPPGGKDREAFEAEYRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWMQT---PAEDVPLNPSKGGPAPLAWSLLP |
3VBX Chain:A ((8-278)) | ----------------------------ESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGEL---TRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLH------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VBX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182974 for 2212 contacts (-82.7/contact) +
2D Compatibility (PS) -28250 + (NN) -15363 + (LL) -668
1D Compatibility (HY) -30800 + (ID) 8100
Total energy: -266155.0 ( -120.32 by residue)
QMean score : 0.462
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