Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHDWTDNRKNLMLFAGRAHPELAEQVAKELDVHVTSQDAREFANGEIFVRFHESVRGCDAFVLQSCPAPVNRWLMEQLIMIDALKRGSAKRITAVMPFYPYARQDKKHR-GREPISARLIADLLKTAGADRIVTVDLHTDQIQGFFDGPVDHMRGQNLLTGYIRDNYPDGNMVVVSPDSGRVRIAEKWADALGGVPLAFIHKTRDPRVPNQVVSNRVVGDVAGRTCVLIDDMIDTGGTIAGAVALLHNDGAGDVIIAATHGVLSDPAAQRLASCGAREVIVTNTLPIGEDK-RFPQLTVLSIAPLLASTIRAVFENGSVTGLFDGDA |
3DAH Chain:A ((6-315)) | ---------DGLMVFTGNANPALAQEVVKILGIPLGKAMVSRFSDGEIQVEIQENVRGKDVFVLQSTCAPTNDNLMELMIMVDALKRASAGRITAAIPYFGYARQDRRPRSARVAISAKVVANMLEIAGVERIITMDLHADQIQGFFDIPVDNIYATPILLGDLRKQ-NYPDLLVVSPDVGGVVRARALAKQLN-CDLAI----------------------EGRTCVIMDDMVDTAGTLCKAAQVLKERGAKQVFAYATHPVLSGGAADRIAASALDELVVTDTIPLSAESLACPKIRALSSAGLLAETFSRIRRGDSVMSL----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3DAH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -255365 for 2384 contacts (-107.1/contact) +
2D Compatibility (PS) -32808 + (NN) -24930 + (LL) 1316
1D Compatibility (HY) -28000 + (ID) 6750
Total energy: -346537.0 ( -145.36 by residue)
QMean score : 0.674
|
|
|