Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRRKTAVPRNAGAVLPMLACLAAQAAEGGFLEDAKTDLVLRNYYFNRDFRDHDAGKSLVDEWAQGFILKFSSGYTPGTVGVGLDAIGLFGVKLNSGRGTSNSELLPLHDDGRAADNYGRVGVAAKLRVSASELKIGEMLPDIPLLRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSADMQDLSAWSAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYANLLHKQRVGDWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTFYLGLQKVGGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFVGLGWPGLIGMVRYGHGSNATTKAGSGGKEWERDVELGYTVQSGPLARLNVRLNHASNRRSFNSDFDQTRLVVSYPLSW |
2Y0K Chain:A ((8-388)) | -------------------------------LVEDSHASLELRNFYFNRDFR--GA-RDNADEWAQGFLLRLESGFSEGTVGFGVDAIGLLGFKLD-------------------QDDYAKLGLTAKARVSNSLLKVGALHFKSPLVSANDTRLLPELFRGALLDVQEIDGLTLRGAHLDRNKLNSSSDYQVFSA-NRIGGRSDAFDFAGGDYRLTPALTA-SLHQGRLKDIYRQTFAGLVHTLDLG-RSLKSDLRFARASEDGGFR--ELDNRAFGALFSLRLGAHAVAAGYQRISGDDPYPYIAGSD-PYLVNFIQIGDFGNVDERSWQLRYDYDFGALGLPGLSFMSRYVSGDNVARGAANDGKEWERNTDLGYVVQSGPLKNLGVKWRNATVRSNFANDLDENRLILSYSLA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Y0K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 3369 for 2809 contacts (1.2/contact) +
2D Compatibility (PS) -36860 + (NN) -3140 + (LL) 2676
1D Compatibility (HY) -28400 + (ID) 8050
Total energy: -70405.0 ( -25.06 by residue)
QMean score : 0.242
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