Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDFIDEVKLYLKAGDGGDGCVSFRREKFVEFGGPNGGNGGKGGNIVFVSDANLNTLLNFRYRRHVKAGSGKSGASRDRSGTAGKNIVLKVPVGTQIIDEESEKIILDFNKPDMEFLIAQGGKGGLGNTNFKSSINRAPRHFTCGQFGEEKYVVLKLKVLSDVGIIGMPNAGKSKFLTRCSNADT-KVGDYPFTTIKPHLGVAKVDNSE-----------------VVIVDIPGIITDAHLGIGLGHKFLKHVERCKILLHLIDVTHDNVVSAYNCMRNELELYNSDLVKKEEIIVLNKCDLLRKVEIFEKKNHLANYLNKEVLCLSIGEDLQPILRLLNEKLKKGSSKKVDVYDPFKR |
1NI3 Chain:A ((23-128)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------TGIVGMPNVGKSTFFRAITKSVLGNPANYPYATIDPEEAKVAVPDERFDWLCEAYKPKSRVPAFLTVFDIAGLTKGASTGVGLGNAFLSHVRAVDAIYQVVRAFDDAEIIHVEGDVDPIRDLSIIVDELLIKDAEFVEKHLEGLRKITSRGANTLEMKAKKEEQAIIEKVYQYLTETKQPIRKGDWSNREVEIINSL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53634 for 532 contacts (-100.8/contact) +
2D Compatibility (PS) -9447 + (NN) -4203 + (LL) 6240
1D Compatibility (HY) -6400 + (ID) 1450
Total energy: -68894.0 ( -129.50 by residue)
QMean score : 0.499
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