Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASNTEIAKQVINAIGGASNVRSVAHCATRLRVMVKDETVIDKNTVENIEKVQGAFFNSGQYQIIFGTGTVNKIYDEVVAQGLPTSSTSDQKAEAAKQGNAFQRAIRTFGDVFVPLLPAIVATGLFMGIRGAINNDTVLALFGTTSKAFSSSNFYTYTVVLTDTAFAFFPALISWSAFRVFGGNPVIGLVLGLMMVNSALPNAWAVASGDAHPIKFFGFIPVVGYQNSVLPAFFVGLLGAKLEKWLHKKIPDVLDLLLVPFLTFTVMSILALFVIGPIFHSVENYVLAGTKFVLNLPLGLSGLILGGVHQIIVVTGVHHIFNLLEAQLIAADGKDPFNAIITAAMTAQAGATLAVGVKTKNKKLKALAFPAALSAGLGITEPAIFGVNLRFGKPFIMGLIAGAAGGWLASILKLAGTGFGITIIPGTLLYLNGQIVKYLIMVIGTTALAFVLTYMFGYEDKDEKVVAEVSPLVEETDDNPTITQTSQLRAETIVSPLDGQVIALDTVSDPVFSSGIMGDGLAIKPSGNTIYSPVDGFVQIVFETGHAYGIKSDKGAEILIHIGIDTVTMNGTGFTSKVKADQKVKKGDILGTFDSAKIAEAGLDNTAMIIVTNTADFADVIPLVKEGVVTTGDMIIDVK |
3OUR Chain:B ((23-153)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IIAPLSGEIVNIEDVPDVVFAEKIVGDGIAIKPTGNKMVAPVNGTIGKIFETNHAFSIESDDGVELFVHFGIDTVELKGEGFTRIAEEGQTVKAGDTVIEFDLALLEEKAKSTLTPVVISNMDEIKELNKLSGSVVVGETPVLRVTK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OUR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -82679 for 1037 contacts (-79.7/contact) +
2D Compatibility (PS) -14044 + (NN) -4587 + (LL) 36152
1D Compatibility (HY) -12800 + (ID) 2600
Total energy: -80558.0 ( -77.68 by residue)
QMean score : 0.534
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