Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKRRVVVTGVGAVTPIGNDAETSWENAKKGVNGVAKMTR--------------LNPDDFPVKIAAELK------DFDVEKYLEKKEARKMDRFTHYAIASAEMAVQDS-GLVIDDSNANRVGVWIGSGIGGMETFETQYEIFLNRGHRRVSPFFVPMMIPDMGSGQVSIRFGAKGINSTTVTACATATNSIGDAFKVIERGDADAMITGGAEAPITKMSLAGFTANKALS--LNPDPETACRPFDKDRDGFIIGEGAGIVILEEYEHAKARGAKIYAEIVGYGATGDAYHITAPAPNGEGAARAMKMAIDDAGLTPDKVDYINAHGTSTPYNDEYETQAIKTVFGEHAKK--LAISSTKSMTGHTLGASGGIEAIFALLTIRDNIIAPTIHLKNQDEVCDLDYVP-NEAREANVNVVISNSFGFGGHNATLVFKRIED |
2IX4 Chain:A ((1-431)) | ---RRVVVTGLGMVTPLGRGVETTWRRLIDGECGIRGLTLDDLKMKSFDEETKLYTFDQLSSKVAAFVPYGSNPGEFDEALWLNSK---AVANFIGYAVCAADEALRDAEWLPTEEEEKERTGVSIGGGIGSICDIVEAAQLICEKRLRRLSPFFIPKILVNMASGHVSMKYGFQGPNHAAVTACATGAHSIGDATRMIQFGDADVMVAGGTESSIDALSVAGFSRSRALSTKFNSSPQEASRPFDCDRDGFVIGEGSGVIVLEEYEHAKRRGAKIYAELCGYGMSGDAHHITQPPEDGKGAVLAMTRALRQSGLCPNQIDYVNAHATSTPIGDAVEARAIKTVFSEHATSGTLAFSSTKGATGHLLGAAGAVEAIFSILAIHHGVAPMTLNVKNPDPIFDKRFMPLTTSKKMLVRTAMSNSFGFGGTNASLLFASI-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158902 for 4002 contacts (-39.7/contact) +
2D Compatibility (PS) -43431 + (NN) -14445 + (LL) 572
1D Compatibility (HY) -33200 + (ID) 9750
Total energy: -259156.0 ( -64.76 by residue)
QMean score : 0.480
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