Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTKPLQGPPAPPGTPTPPPGGKDREAFEAEYRLGPLLGKGGFGTVFAGHRLTDRLQVAIKVIPRNRVLGWSPLSDSVTCPLEVALLWKVGAGGGHPGVIRLLDWFETQEGFMLVLERPLPAQDLFDYITEKGPLGEGPSRCFFGQVVAAIQHCHSRGVVHRDIKDENILIDLRRGCAKLIDFGSGALLHDEPYTDFDGTRVYSPPEWISRHQYHALPATVWSLGILLYDMVCGDIPFERDQEILEAELHFPAHVSPDCCALIRRCLAPKPSSRPSLEEILLDPWMQT---PAEDVPLNPSKGGPAPLAWSLLP |
2C3I Chain:B ((37-305)) | ------------------------------QYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGE---GTRVPMEVVLLKKVSSG--FSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIGGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLH------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173445 for 2169 contacts (-80.0/contact) +
2D Compatibility (PS) -28109 + (NN) -15824 + (LL) -216
1D Compatibility (HY) -30400 + (ID) 8000
Total energy: -255994.0 ( -118.02 by residue)
QMean score : 0.507
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