Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRHSKRTYCPDWDDKDWDYGKWRSSSSHKRRKRSHSSAQENKRCKYNHSKMCDSHYLESRSINEKDYHSRRYIDEYRNDYTQGCEPGHRQRDHESRYQNHSSKSSGRSGRSSYKSKHRIHHSTSHRRSHGKSHRRKRTRSVEDDEEGHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARS--EIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAYNPKIKRDERTLINPDIKVVDFGSATYDDEHHS-TLVSTRHYRAPEVILALG-WSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLP-----KHMIQKTRKRKYFHHDRLDWDEHSSAGRYVSRRCKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLLKKSI |
2B9I Chain:A ((9-309)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------ISSDFQLKSLLGEGAYG-VVCSATHKPTGEIVAIKKIEPFDKPLFALRTLREIKILKHFKHENIITIFN-IQRPDSFENFNEVYIIQELMQTDLHRVISTQML---SDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINS-------------------NCDLKVCDFGLARIIDE---VEFVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGRDYRHQLLLIFGIIG-TPHSDNDLRCIESPRAREYI----------KSLPMYPA---APLEKMFPRVN---PKGIDLLQRMLVFDPAKRITAKEALEHPYLQTYHDPN |
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General information:
TITO was launched using:
| RESULT:
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Template: 2B9I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165341 for 2152 contacts (-76.8/contact) +
2D Compatibility (PS) -29653 + (NN) -11836 + (LL) 7992
1D Compatibility (HY) -26000 + (ID) 5400
Total energy: -230238.0 ( -106.99 by residue)
QMean score : 0.420
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