Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESAVSTSTQVPDEFDRNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGSCTITKDNRRHCQACRLKRCLDIGMMKEFILTDEEVQRKKELIQRRKDEEAHREAQKPRLSDEQRNIIDTLVDAHHKTYDDSYSDFSRFRPPVREGPVTRSASRAASLHSLSDASSDSFSHSPESGDRKMNLSNLLMMYQEQGLSSSPDSKEEDGSSLSMLPHLADLVSYSIQKVIGFAKMIPGFRELTAEDQIALLKSSAIEVIMLRSNQSFSLEDMSWSCGGPEFKYCVNDVTKAGHTLELLEPLVKFQVGLKKLNLHEEEHVLLMAICLLSPDRPGVQDHVRVEALQDKVSEVLQAYIRAHH--PGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGGQVT |
3A2I Chain:A ((5-259)) | --------------------------------------------------------------------------------------------------------------------DSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVR----------------VNDG------------SVTLELSQL-----------------------SMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGFSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFG---- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3A2I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -128492 for 1918 contacts (-67.0/contact) +
2D Compatibility (PS) -27286 + (NN) -19604 + (LL) 8948
1D Compatibility (HY) -34000 + (ID) 9500
Total energy: -209934.0 ( -109.45 by residue)
QMean score : 0.512
|
|
|