Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIMLVFITLILVSLPIAQQTEAKDASAFNKENSISSMAPPASPPASPKTPIEKKHADEIDKYIQGLDYNKNNVLVYHGDAVTNVPPRKGYKDGNEYIVVEKKKKSINQNNADIQVVNAISSLTYPGALVKANSELVENQPDVLPVKRDSLTLSIDLPGMTNQDNKIVVKNATKSNVNNAVNTLVERWNEKYAQAYPNVSAKIDYDDEMAYSESQLIAKFGTAFKAVNNSLNVNFGAISEGKMQEEVISFKQIYYNVNVNEPTRPSRFFGKAVTKEQLQALGVNAENPPAYISSVAYGRQVYLKLSTNSHSTKVKAAFDAAVSGKSVSGDVELTNIIKNSSFKAVIYGGSAKDEVQIIDGNLGDLRDILKKGATFNRETPGVPIAYTTNFLKDNELAVIKNNSEYIETTSKAYTDGKINIDHSGGYVAQFNISWDEVNYDPEGNEIVQHKNWSENNKSKLAHFTSSIYLPGNARNINVYAKECTGLAWEWWRTVIDDRNLPLVKNRNISIWGTTLYPKYSNKVDNPIE |
3HVN Chain:A ((36-502)) | -----------------------------------------------------------DINQYFQSLTYEPQEILTNEGEYIDNPPATTGMLENGRFVVLRREKKNITNNSADIAVIDAKAANIYPGALLRADQNLLDNNPTLISIARGDLTLSLNLPGLANGDSHTVVNSPTRSTVRTGVNNLLSKWNNTYAGEYGNTQAELQYDETMAYSMSQLKTKFGTSFEKIAVPLDINFDAVNSGEKQVQIVNFKQIYYTVSVDEPESPSKLF--GTTVEDLKRNGITDEVPPVYVSSVSYGRSMFIKLETSSRSTQVQAAFKAAIKGVDISGNAEYQDILKNTSFSAYIFGGDAGSAATVVSGNIETLKKIIEEGARYGKLNLGVPISYSTNFVKDNRPAQILSNSEYIETTSTVHNSSALTLDHSGAYVAKYNITWEEVSYNEAGEEVWEPKAWDKNGVNLTSHWSETIQIPGNARNLHVNIQECTGLAWEWWRTVYDKD-LPLVGQRKITIWGTTLYPQYADEVIEL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HVN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87439 for 3685 contacts (-23.7/contact) +
2D Compatibility (PS) -48721 + (NN) -8722 + (LL) 4184
1D Compatibility (HY) -44800 + (ID) 10600
Total energy: -196098.0 ( -53.22 by residue)
QMean score : 0.387
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