Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQQYFVNGEAGAYVTIEDKDTIKHMFNVMRLTEDDQVVLVFDDAIKRLAKVVDSSAHRFQILEELDNNVEMPVQVTIASGFPKGDKLDFVTQKATELGAAAIWGFPADWSVVKWDGKKLAKKEDKLAKIALGAAEQSKRNRLPQVRLFEKKADFQAELAGFDKI---FIAYEESAKEGELSALAQNLQTVKAGDKLLFIFGPEGGISPKEIAAFEEVGAIKVGLGPRIMRTETAPLYALSVISYSAELL |
3KW2 Chain:A ((121-239)) | -------------------------------------------------------------------------------------------------------------------------KAERLERIAISAMKQSLKASFPVIRV---NIPIQTVIADTPKAAVRLIAYVDEAVR----GRGYPSDFYHVGQDVLILIGPEGDFSPSEVESALLAGFAPVSLGESRLRTETAGLVACQWIHTLQACY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KW2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41442 for 652 contacts (-63.6/contact) +
2D Compatibility (PS) -12033 + (NN) -3910 + (LL) 9720
1D Compatibility (HY) -7600 + (ID) 1850
Total energy: -57115.0 ( -87.60 by residue)
QMean score : 0.573
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