Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKADKALLIVDMINNFEFDMGETLAKKTEKIVPHILSLKEHARQNEWPIIYI-------NDHYGLWQADIKNIQQ-ECTNERSKDIITKIAPVDADYFLIKPKHSAFYETALHTLLTELQVRHIIITGIAGNICVLFTANDAYMREYSITIPKDCIASNSDEDNEFALTMMENVL----------FAEITTEEQIIEK |
3IRV Chain:A ((24-216)) | ------AVIVVDMQKVFCEPTGALYVKSTADIVQPIQKLLQAARAAQVMVIYLRHIVRGDGSDTGRMRDLYPNVDQILARHDPDVEVIEALAPQSDDVIVDKLFYSGFHNTDLDTVLRARDVDTIIVCGTVTNVCCETTIRDGVHREYKVIALSDANAAMDYPDVGFGAVSAADVQRISLTTIAYEFGEVTTTAEVIRR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IRV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135344 for 1367 contacts (-99.0/contact) +
2D Compatibility (PS) -18333 + (NN) -3120 + (LL) 376
1D Compatibility (HY) -9200 + (ID) 2550
Total energy: -168171.0 ( -123.02 by residue)
QMean score : ?
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