Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHHYRLPLRRTPPGGSDYALALLLALGGALPASAADAPAPAEEAPPLAGSAPAKADTALGKVTVTARRREEDSQKVPTPITVLGGETLEAQRISRVQDLQQVLPSVNVAYIHARQSSVAVRGIG-NNPASDGLEGSAGIYLDNVYLGRPGMAVFDLLDIEQLELLRGPQGTLFGKNTTAGVLNISTRAPTFTAERTVEVSGGQDGYFQGRGTVSGPLGET--LAGR-LSAYRTRDDGYIKNIHDDNYLNGGERQGA--RGQLLFEPNEDFSLRWIADYNEEDSSNGSMVVYGGAERFWQRAALVGASPLRDPQRRKVNINGRQHVSVHQGGSSLEANWNLAGGYRLTSISAYRYWHFTPANDEQLNVSAINDTGVEVHDRQFSQEIRLASPTGGAFDYVVGAYAFRQNLGNKTFTSYGPLADLYLLGANLGALNDTYSKANGKIETDSFALFAQGTWHLTERLDFTAGLRGTYEEKNAKVERFAPLGGAAVGGVGAAVRNGQLGAYDSGDLSQYNFAPSALLSLSYQFSDDLLGYASLSHGEKSGGVNLAVGSAPSAGADSLLVGPERANDAELGLKSTLFDRRLLLNANLFWTGIHGYQATTLYQAPGSTQLVQVLANAGSVRSRGLEFEATALPLRGLTLNFNGSYNDVTYLSFKDAPCPAEVSTRPGAPSSCDLTGQRVVGASKWIANLNGEYQWRLDDRFQPYVSASYAYRSAAEGTLDNSDLSKIDGYALVNLAAGLRSDLGDGQLDTSVWLKNAFDKDYYLSAFASINGSYTASVGQPRTLGVSLRYDF |
2IAH Chain:A ((111-313)) | -----------------------------------------------------------------TATRLVLTPRETPQSITVVTRQNMDDFGLNNIDDVMRHTPGITVSAYDTDRNNYYARGFSINNFQYDGIPSTA----RNVGYS-AGNTLSDMAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFKGHVELGAGSWDNYRSELDVSGPLTESGNVRGRAVAAYQDK----------HSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPKGSGWSGSFPLFDSQGNRNDVSRSFNNGAKWSSWEQYTRTVFANLEHNFANGWVGKVQLDHKINGYHAPLGAIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDFINWDGDIGKPDWGTPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRVVDYRVTGLNPTIRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQDSWYRDSSNKLLEPDEGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITYAYKGIKAKTKGYEAEISGELAPGWQVQAGYTHKIIRDDSGKKVSTWEPQDQLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNNPRSRWEKFSQEDYWLVDLMARYQITDKLSASVNVNNVFDKTYYTNIGFYTSASYGDPRNLMFSTRWDF------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IAH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 6017 for 1329 contacts (4.5/contact) +
2D Compatibility (PS) -20541 + (NN) -5287 + (LL) 6344
1D Compatibility (HY) -9200 + (ID) 2750
Total energy: -25417.0 ( -19.12 by residue)
QMean score : 0.166
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