Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIADRKRSVKQKSDKNNLVGNLDIIKTAGEISLQKGLDFEVIMKALESAIEAVAYQKYGSKSKVVVNIDRSTGEVISYRELKVVDDEPNGEEHNGYGSITLTQAKLIKEDAKVGDTINELLSLNTDLASARIAQQRIAQVIKYEELKKQYEEFKDKVGEIRYGIVKQVEYSDLIIDINGTRAYLPLRNLIGGELFREGDKIKAYIQTVKRSDDGRQIILSRASEGFLEALLSQEIPEIADGLVTVKGIARDAGSRSKVAVFSPDKNIDPVGACVGVKGERIKAIIHELNGEKIDVVHYFSDLGQFVIKAITPAEVSKVIIDESENCVELIVAEDQLSLAIGKKGQNVRLASELIGWKIEILSTQQESERRNRELSQCSALFAEALNLEEIMGQLLVTEGFSSVEDISNASIKELASIEGFNEDIASELRNRANRYLKAENDRKIEELKSLGMESDVINLPLSIDDKIALSEHGIKTLENIADLSSYEFCSILSSSASDKENLKNTVNSIIMEARKKLGVI |
2CXC Chain:A ((17-80)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VFHSITGVTAYRCIVDEENNRLIFLVSEGEAGRAIGRGGRLIKLLREALGKNIEVVEYSSDLERIVKNLFPGVKIESINVRERNGVKQVVIKVSEDDKGAAIGKGGKNVKRARLVLSKLFGVEKVVIR--------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CXC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -45109 for 412 contacts (-109.5/contact) +
2D Compatibility (PS) -6860 + (NN) -596 + (LL) 28052
1D Compatibility (HY) -4400 + (ID) 1000
Total energy: -29913.0 ( -72.60 by residue)
QMean score : 0.538
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