Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKMEACYSFDDILLLPAYSNILPCNADTKTYLTNSIELNIPLISSAMDTVTESDFAITIAQHGGIGCIHKNLSVDEQVSEVRRVKKYENWIVYNPITISPDKTVAEAISLMKKHDYSGIPVVDQRKLVGVLTNRDIRFIEDQNMSIKVSEVMTKEKLVTIREQEVDSASAMKLLHENRIEKLLVIDENFCCIGLITVKDIEKYNRYPNSCKDSKGRLRVAAAVGTGKKDGIERCEALIGEEIDVIIVDTAHGHSENVIDTIKEIKTMYPNTQLVGGNIATKEAAEALIDAGVDAVKVGIGPGSICTTRVVTGVGVPQFSAIQSVAETCKARKVRLIADGGIKYSGDIAKAIAAGADSVMIGSIFAGTDESPGEIIMYKGRAYKGYRGMGSISAMKQGSASRYFQDKDSKLKLVPQGVEGRVPFKGPASGVIHQLIGGLQAAMGYTGNRNIEEMKKNCRFVIITASGLRESHAHDIIITQEAPNYAYQVFNLLTDSDA |
4AVF Chain:A ((6-467)) | ----QEALTFDDVLLIPGYSEVLPKDVSLKTRLTRGIELNIPLVSAAMDTVTEARLAIAMAQEGGIGIIHKNMGIEQQAAEVRKVKKHET--------------------------------------------------------------------------------------------------------------------YPLASKDEQGRLRVGAAVGTGADTG-ERVAALVAAGVDVVVVDTAHGHSKGVIERVRWVKQTFPDVQVIGGNIATAEAAKALAEAGADAVKVGIGPGSICTTRIVAGVGVPQISAIANVAAALEGTGVPLIADGGIRFSGDLAKAMVAGAYCVMMGSMFAGTEEAPGEIELFQGRSYKS------------------------------------VPYKGALSAIVHQLMGGLRAAMGYTGSADIQQMRTQPQFVRITGA-------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AVF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181669 for 2745 contacts (-66.2/contact) +
2D Compatibility (PS) -33821 + (NN) -13105 + (LL) 14488
1D Compatibility (HY) -31600 + (ID) 9100
Total energy: -254807.0 ( -92.83 by residue)
QMean score : 0.517
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