Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTEMKSFLKLFAQPLLVVLAFMLLYALAHAVLGFYVKKDSAPMSPNVEKSETERQNSTFSPKEEANATTTATEQNPTKDTVPPLDTATQKQEIKQEIKQEIKQEIKQEIKQEIKQEIKQETKQEQEKENKPKQNSVSPVQNDQKTPTTPLMGKKPLEYKVAVSGVNVRAFPST----------------KGKIIGSLIKNKSVKVLEIQ--NDWAEIEFSHETKGYVFLKLLKKAE |
3M1U Chain:A ((116-192)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------WKGIVVSNSALREVPTLRPMFTAPTRAGQGYPFDMFQRTAVWMGTPVFVGHATADRAWLYVET-AFAAGWMPAADVARVD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M1U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -15876 for 385 contacts (-41.2/contact) +
2D Compatibility (PS) -6149 + (NN) 2855 + (LL) 11568
1D Compatibility (HY) -1200 + (ID) 450
Total energy: -9252.0 ( -24.03 by residue)
QMean score : 0.399
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