Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMK------GRGIPTFQ---PYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |
4MB5 Chain:A ((9-318)) | --------------------------NVVVGYWHNWCDGR--GYQGGNAPCVELKTVNPQYNVVNISFMKVYDIAEGR-IPTFKLDPTIALSEAEFIAQIDTLNSQGRSVLIALGGADAHIELTRGDEDALAAEIIRLTDLYGFDGLDIDLQQAAITAKDNQFVIPAALKMVKEHYRKTGDNFMITMAPEFPYLTANGAYTPYLTELDGYYDFINPQFYNQGGDGLWIE----GVG-WIAQNNDALKEEFIYYIADSLINGTRNYHKIPHDKLVFGLPSNIDAAATGYIQDPQDLYKAFDRLKAQGQPLRGVMTWSVNWDMGTDAANNSYNQQFIKDYGNFIHN---------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MB5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201875 for 2602 contacts (-77.6/contact) +
2D Compatibility (PS) -32045 + (NN) -12816 + (LL) 8756
1D Compatibility (HY) -34800 + (ID) 8850
Total energy: -281630.0 ( -108.24 by residue)
QMean score : 0.597
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