Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAQEKAVIRDPKKLNAFDLRWIASLFGTAVGAGILFLPIRAGGHGIWAIVVMSAIIFPLTYLGHRALAYFIGSKDKEDITMVVRSHFGAQWGFLITLLYFLAIYPICLAYGVGITNVFDHFFTNQLHLAPFHRGLLAVALVSLMMLVMVFNATIVTRICNALVYPLCLILLLFSLYLIPYWQGANLFVVPSFKEFVLAIWLTLPVLVFSFNHSPIISTFTQNVGKEYGAFKEYKLNQIELGTSLMLLGFVMFFVFSCVMCLNADDFVKAREQNIPILSYFANTLNNPLINYAGPVVAFLAIFSSFFGHYYGAKEGLEGIIIQSLKLKQASKTLSVGVTIFLWLTITLVAYINPNILDFIENLGGPIIALILFVMPMIAFYSVSSLKRFRNFKVDIFVFVFGSLTALSVFLGLF |
| 3O8O Chain:A ((204-230)) | --------------------WLALMAGIATGADYIFIPERAVPHGKWQDELKEVCQRHRSKGRRNNTIIVAEGALDDQLNPVTANDVKDALIELGLDTKVTILGHVQRGGTAVAHDRWLATLQGVDAVKAVLEFTPETPSPLIGILENKIIRMPLVESVKLTKSVATAIENKDFDKAISLRDTEFIELYENFLSTTVKDDGSELLPVSDRLNIGIVHVGAPSAALNAATRAATLYCLSHGHKPYAIMNGFSGLIQTGEVKELSWIDVENWHNLGGSEIGTNRSVASEDLGTIAYYFQKNKLDGLIILGGFEGFRSLKQLRDGRTQHPIFNIPMCLIPATVSNNVPGTEYSLGVDTCLNALVNYTDDIKQSASATRRRVFVCEVQGGHSGYIASFTGLITGAVSVYTPEKKIDL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3O8O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -10645 for 112 contacts (-95.0/contact) +
2D Compatibility (PS) -2972 + (NN) -1511 + (LL) 1764
1D Compatibility (HY) -1600 + (ID) 650
Total energy: -15614.0 ( -139.41 by residue)
QMean score : -0.011
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