Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSPFSPRSPRTLRGLGALALCGGFVAPAPAAFLEDGSARLEARTVYFNRDFRDGSSANPQGASKREEAAQGFILDLRSGYTEGALGFGVDTLAMLGIKLDSSPADSNSGLLPSSGHDPRRSVDQYAKAGVAGKMRFSQTQFRYGAMLPDMPLLKYNDGRLLPTLFHGAQLTSEEIAGLRFSATRLERYTARDSSDAQDIRLHCKNKRYACDTTGNRFDAYQLDYQVNDG---LLLQYAQGGLRNVYRQRYLGAVGKRQVGAGKLSADLRWFDSEDAGAARAGKIDNRALSLLLAYAQGGHTLSAGWQRMNGASSMPYLDG-SNPYLANYLQVNDFANPEERSWQLRYDFDLRSVGVPGLSFMTRYVNGDHIRLANGDEGKEWERDIELKYIVQSGRFKDLSLRLRNATYRTDFERSARDVDEVRLIASYNLSLF |
3JTY Chain:D ((6-393)) | -------------------------------GFLEDAQANLTLRNFYFNRNFTNPTKA--QG--KAEEWTQSFILDAKSGFTQGTVGFGMDVLGLYSLKLDGGKGTGGTQLLPLD------PADNFGRLGVAFKARLSQTEVKVGEWMPVLPILRSDDGRSLPQTFRGGQITSKEIAGLTLYGGQFRANSPRDDSSMSDMSMFGK-----AAFTSDRFNFQGAEYAFNDKRTQIALWNAQ--LKDIYSQQFINLIHSQPLGDWTLGANLGFFYGKEDGSARAGDMENRTWSGLFSAKYGGNTFYVGLQKLTGDSAWMRVNGTSGGTLANDSYNASYDNAKEKSWQVRHDYNFAALGVPGLTLMNRYISGSNVHTATVSDGKEWGRESEVAYTVQSGTLKNLNLKWRNSTMRRDF--SNNEFDENRLIISYPLSL- |
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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) -12811 for 3034 contacts (-4.2/contact) +
2D Compatibility (PS) -38339 + (NN) 2314 + (LL) 1060
1D Compatibility (HY) -28000 + (ID) 7850
Total energy: -83626.0 ( -27.56 by residue)
QMean score : 0.201
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