Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRHSKRTYCPDWDERDWDYGTWRSSSSHKRKKRSHSSAREQKRCRYDHSKTTDSYYLESRSINEKAYHSRRYVDEYRNDYMGYEPGHPYGEPGSRYQMHSSKSSGRSGRSSYKSKHRSRHHTSQHHSHGKSHRRKRSRSVEDDEEGHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKVGGRRVAVKIVKNVDRYCEAAQS--EIQVLEHLNTTDPHSTFRCVQMLEWFEHRGHICIVFELLGLSTYDFIKENSFLPFRMDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVKSDYTEAYNPKMKRDERTIVNPDIKVVDFGSATYDDEHHS-TLVSTRHYRAPEVILALG-WSQPCDVWSIGCILIEYYLGFTVFPTHDSREHLAMMERILGPLP-----KHMIQKTRKRRYFHHDRLDWDEHSSAGRYVSRRCKPLKEFMLSQDAEHELLFDLIGKMLEYDPAKRITLKEALKHPFFYPLKKHT |
2B9J Chain:A ((9-309)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------ISSDFQLKSLLGEGAYG-VVCSATHKPTGEIVAIKKIEPFDKPLFALRTLREIKILKHFKHENIITIFN-IQRPDSFENFNEVYIIQELMQTDLHRVISTQML---SDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINS-------------------NCDLKVCDFGLARIID----VEFVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGRDYRHQLLLIFGIIG-TPHSDNDLRCIESPRAREYI----------KSLPMYPA---APLEKMFPRVNPKG---IDLLQRMLVFDPAKRITAKEALEHPYL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2B9J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161671 for 2158 contacts (-74.9/contact) +
2D Compatibility (PS) -29592 + (NN) -10145 + (LL) 8388
1D Compatibility (HY) -26000 + (ID) 5350
Total energy: -224370.0 ( -103.97 by residue)
QMean score : 0.254
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