Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRHSKRTYCPDWDERDWDYGTWRSSSSHKRKKRSHSSAREQKRCRYDHSKTTDSYYLESRSINEKAYHSRRYVDEYRNDYMGYEPGHPYGEPGSRYQMHSSKSSGRSGRSSYKSKHRSRHHTSQHHSHGKSHRRKRSRSVEDDEEGHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKVGGRRVAVKIVKNVDRYCEAAQSEIQVLEHLNTTDPHSTFRCVQMLEWFEHRGHICIVFELLGLSTYDFIKENSFLPFRMDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVKSDYTEAYNPKMKRDERTIVNPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSREHLAMMERILGPLPKHMIQKTRKRRYFHHDRLDWDEHSSAGRYVSRRCKPL-KEFMLSQDAEHELLFDLIGKMLEYDPAKRITLKEALKHPFFYPLKKHT |
4BGQ Chain:A ((10-302)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------VM-NKFEILGVVGEGAYGVVLKCRHK-ETHEIVAIKKFK----VKETTLRELKMLRTLKQ--E----NIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMP-NGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISH-------------------NDVLKLCDFGFARNLSE-------TRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHG--LRFPAVNHP--------QSLERRYLGI---LNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQR--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192843 for 2113 contacts (-91.3/contact) +
2D Compatibility (PS) -29404 + (NN) -9449 + (LL) 8124
1D Compatibility (HY) -25600 + (ID) 4300
Total energy: -253472.0 ( -119.96 by residue)
QMean score : 0.256
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