Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKG---LGTTFYLKMDFETLIKRLNQKEREKRPLLN-N--LTQAKELFEKRQALYEKNASFIIDARG-GLNNSLKQVLQFIA
2IYV Chain:A ((2-166))
APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGG-AVTSPGVRAALAGHTVVYLEISAAEGVRRTGGN-TVR-PLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQ
General information:
TITO was launched using:
RESULT:
Template:
2IYV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79025 for 1218 contacts (-64.9/contact) +
2D Compatibility (PS) -17130 + (NN) -8393 + (LL) 32
1D Compatibility (HY) -6800 + (ID) 2200
Total energy: -113516.0 ( -93.20 by residue)
QMean score : 0.617
(partial model without unconserved sides chains):
PDB file :
Tito_2IYV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYV-query.scw
PDB file :
Tito_Scwrl_2IYV.pdb
: