Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIQSKLPNVGTTIFTRMSQLAAECGAINLSQGFPDFDGPPELREAVGRHIAAGH---NQYAPMTGLPALREQVAKKIEQFYGRRVSADSEVTITPGATEAIFSAIQALVHPGDEVVVLDPSYDSYEPSVQLAGGRCVHVPL----ALPDFSIDWQRMAEAIGPRTRLVIINTPHNPSGALISREELDRLAALIRDRDIYLISDEVYEHLVFDGVAHTSVLSHDELYPRSFVVSSFGKTYHVTGWKTGYVVAPPALSAELRKVHQYVNFCGVTPLQWALADYMAGHPEHLR-------QLPGFYQAKRDLFCDLLLDSRFRFTRAPGTYFQCVDYSAIR---PDLD-------DVAMAEWLTREHGVAAIPVSVFY----EKAPDAMRLVRFCYAKREETLRQAAEKLCAI |
4WLH Chain:B ((9-415)) | ----RLDGIDYNPWVEFVKLASEHDVVNLGQGFPDFP-PPDFAVEAFQHAVSGDFMLNQYTKTFGYPPLTKILASFFGELLGQEIDPLRNVLVTVGGYGALFTAFQALVDEGDEVIIIEPFFDCYEPMTMMAGGRPVFVSLKPLGSSSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFSREELELVASLCQQHDVVCITDEVYQWMVYDGHQHISIASLPGMWERTLTIGSAG-TFSATGWKVGWVLGPDHIMKHLRTVHQNSVFHCPTQSQAAVAESFEREQLLFRQPSSYFVQFPQAMQRCRDHMIRSLQSVGLKPIIPQGSYFLITDISDFKRKMPDLPGAVDEPYDRRFVKWMIKNKGLVAIPVSIFYSVPHQKHFD--HYIRFCFVKDEATLQAMDEKL--- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4WLH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -267593 for 3227 contacts (-82.9/contact) +
2D Compatibility (PS) -41730 + (NN) -27075 + (LL) 1152
1D Compatibility (HY) -29200 + (ID) 6850
Total energy: -371296.0 ( -115.06 by residue)
QMean score : 0.543
|
|
|