Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKITPKAMCAWIPKREDETHKGDYGRVLIVAGNKQFGGAAIMAAEACVKSGAGLTTVASDSVNRPALQTRIPECMFIDYENITSLSEQISQFDTILIGPGLGLDAYAEEIFRLVLQKSTEHQQVIIDGDGITIYAKGENP--HPAAKLTFTPHAGEWERLKVLAPDAVTPTD---VALAIDATIVLKGHRTKVYSGESAWQNMYGTPAMATGGMGDTLAGTICGLMAQTEKPITGTLAAVFLHSYIGEILAKKRYVVLPTEIAEELPTYLKIFSETDEHA
2R3B Chain:A ((32-294))
------------ITQRPSDSYKSNFGRVVLIGGNRQYGGAIIMSTEACINSGAGLTTVITDVKNHGPLHARCPEAMVVGFEETVLLTNVVEQADVILIGPGLGLDATAQQILKMVLAQHQKQQWLIIDGSAITLFSQGNFSLTYP-EKVVFTPHQMEWQRLSHLPIEQQTLANNQRQQAKLGSTIVLKSHRTTIFHAGEPFQNTGGNPGMATGGTGDTLAGIIAGFLAQFKPTIETIAGAVYLHSLIGDDLAKTDYVVLPTKISQALPTYMKKYAQ-----
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) -166294 for 2297 contacts (-72.4/contact) +
2D Compatibility (PS) -27657 + (NN) -10462 + (LL) 1604
1D Compatibility (HY) -21600 + (ID) 6050
Total energy: -230459.0 ( -100.33 by residue)
QMean score : 0.569
(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
: