Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVQRKKISLIGAGNIGGALAHMVTLRELGDVVLFDVNDGIPQGKALDIAESSPIGGFSVNIIGTNRYGDIKNSDAIIITAGIARKPG-----MSRDDLLQTNAKVMKEVGENIRKYSPNAFVIVVTNPLDAMVSVVHKFSNLPANMIVGMAGVLDSSRFRYFLARELNISVEDVSAFVLGGHGDTMVPLIRCASIAGIPLTQIIDMGLITQEKVDEIVKRTRNGGKEIIDLLKSGSAYYAPASSSIYMLESYLRDEKRILPCATYLNGEYGVKDLFIGVPVIIGKNGIEKVLEVKMDDSEQEMFNKSVNAVKELVKSLSL |
4PLY Chain:B ((3-318)) | ---QRKKISLIGAGNIGGTLAHLIAQKELGDVVLFDIVEGMPQGKALDISHSSPIMGSNVKITGTNNYEDIKGSDVVIITAGIPRKPGKSDKEWSRDDLLSVNAKIMKDVAENIKKYCPNAFVIVVTNPLDVMVYVLHKYSGLPHNKVCGMAGVLDSSRFRYFLAEKLNVSPNDVQAMVIGGHGDTMVPLTRYCTVGGIPLTEFIKQGWITQEEIDEIVERTRNAGGEIVNLLKTGSAYFAPAASAIEMAESYLKDKKRILPCSAYLEGQYGVKDLFVGVPVIIGKNGVEKIIELELTEEEQEMFDKSVESVRELVETVKK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PLY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -305110 for 2812 contacts (-108.5/contact) +
2D Compatibility (PS) -33597 + (NN) -15249 + (LL) 452
1D Compatibility (HY) -40400 + (ID) 10800
Total energy: -404704.0 ( -143.92 by residue)
QMean score : 0.605
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