Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVKNHNPKNEMQDMLTPLDAEEAAKTKLRLDMREIPKSSIKPEHFHLMYLLEQHSPYFIDAELTELRDSFQIHYDINDNHTPFDNIKSFTKNEKLRYLLNIKNLEEVNRTRYTFVLAPDELFFTRDGLPIAKTRGLQNVVDPLPVSEAEFLTRYKALVICAFNEKQSFDALVEGNLELHKGTPFETKVIEAATLDLLTAFLDEQYQKQEQDYSQNYAYVRKVGHTVFKWVAIGMTTLSVLLIAFLAFLYFSVMKHNERIEKGYQAFVKDDYTQVLNTYDDLDGKKLDKEALYIYAKSYIQTNKQGLEKDKKENLLNNVTPNSNKDYLLYWMELGQGHLDEAINIATYLDDNDITKLALINKLNEIKNNGDLSNDKRSEETKKYNDKLQDILDKEKQVKDEKAKSEEEKAKAKDEKLKQQEENEKKQKEQAQKDKEKRQEAERKK |
3KAE Chain:A ((8-99)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KICKSIRYRDYETAIFLAACLL------EYRMLMSIVLYLN--GEYTRAL--FHLHK-LNTCTSKYYESLCYKKKKDYKKAIKSLESI------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -10113 for 557 contacts (-18.2/contact) +
2D Compatibility (PS) -8226 + (NN) -3645 + (LL) 27088
1D Compatibility (HY) -3600 + (ID) 450
Total energy: 1054.0 ( 1.89 by residue)
QMean score : 0.435
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