Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRRKTAVPRNAGAVLPMLACLAAQAAEGGFLEDAKTDLVLRNYYFNRDFRDHDAGKSLVDEWAQGFILKFSSGYTPGTVGVGLDAIGLFGVKLNSGRGTSNSELLPLHDDGRAADNYGRVGVAAKLRVSASELKIGEMLPDIPLLRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSADMQDLSAWSAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYANLLHKQRVGDWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTFYLGLQKVGGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFVGLGWPGLIGMVRYGHGSNATTKAGSGGKEWERDVELGYTVQSGPLARLNVRLNHASNRRSF-NSDFDQTRLVVSYPLSW |
3JTY Chain:A ((6-392)) | ------------------------------GFLEDAQANLTLRNFYFNRNFTNPTKAQGKAEEWTQSFILDAKSGFTQGTVGFGMDVLGLYSLKLDGGKGTGGTQLLPLDHDGRPADNFGRLGVAFKARLSQTEVKVGEWMPVLPILRSDDGRSLPQTFRGGQITSKEIAGLTLYGGQFRANSPRDDSSMSDMSMFGKAAFTSDRFNFQGAEYAFNDKRTQIALWNAQLKDIYSQQFINLIHSQPLGDWTLGANLGFFYGKEDGSARAGDMENRTWSGLFSAKYGGNTFYVGLQKLTGDSAWMRVNGTSGGTLANDSYNASYDNAKEKSWQVRHDYNFAALGVPGLTLMNRYISGSNVHTATVSDGKEWGRESEVAYTVQSGTLKNLNLKWRNSTMRRDFSNNEFDENRLIISYPLS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JTY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 11343 for 3114 contacts (3.6/contact) +
2D Compatibility (PS) -40405 + (NN) -10962 + (LL) 2896
1D Compatibility (HY) -33600 + (ID) 10250
Total energy: -80978.0 ( -26.00 by residue)
QMean score : 0.277
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