Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKITPKAMCAWIPKREDETHKGDYGRVLIVAGNKQFGGAAIMAAEACVKSGAGLTTVASDSVNRPALQTRIPECMFIDYENITSLSEQISQFDTILIGPGLGLDAYAEEIFRLVLQKSTEHQQVIIDGDGITIYAKGENP-HPAAKLTFTPHAGEWERLKVLAPDAV---TPTDVALAIDATIVLKGHRTKVYSGESAWQNMYGTPAMATGGMGDTLAGTICGLMAQTEKPITGTLAAVFLHSYIGEILAKKRYVVLPTEIAEELPTYLKIFSETDEHA
2R3B Chain:A ((21-295))
-RYLSKDILEEVITQRPSDSYKSNFGRVVLIGGNRQYGGAIIMSTEACINSGAGLTTVITDVKNHGPLHARCPEAMVVGFEETVLLTNVVEQADVILIGPGLGLDATAQQILKMVLAQHQKQQWLIIDGSAITLFSQGNFSLTYPEKVVFTPHQMEWQRLSHLPIEQQTLANNQRQQAKLGSTIVLKSHRTTIFHAGEPFQNTGGNPGMATGGTGDTLAGIIAGFLAQFKPTIETIAGAVYLHSLIGDDLAKTDYVVLPTKISQALPTYMKKYAQP----
General information:
TITO was launched using:
RESULT:
Template:
2R3B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183504 for 2468 contacts (-74.4/contact) +
2D Compatibility (PS) -29017 + (NN) -11313 + (LL) 392
1D Compatibility (HY) -22400 + (ID) 5950
Total energy: -251792.0 ( -102.02 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_2R3B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2R3B-query.scw
PDB file :
Tito_Scwrl_2R3B.pdb
: