Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTDLEKIIKAIKSDSQNQNYTENGIDPLFAAPKTARINIVGQAPGLKTQEARLYWKDKSGDRLRQWLGVDEETFYHSGKFAVLPLDFYYPGKGKSGDLPPRKGFAEKWHPLILKEMPNVQLTLLVGQYAQKYYLGSSAHKNLTETVKSYKDYLPDYLPLVHPSPRNQIWLKKNPWFEKDLIVDLQKIVADILKD
3IKB Chain:A ((5-196))
-TSLEEITKAIMADSQNKVFTEKNIEPLFAAPKTARINIVGQAPGIKAQESRLYWNDKSGDRLREWMGVDYDTFYHSGYFAVIPMDFYYPGKGKSGDLPPRKGFAQKWHQPILDLLPDIQLTILIGNYAQKYYLHQKSSVKLTDTVAHYKKYLPDYFPLVHPSPRNQIWMSRHPWFEAQVVPDLKKIIQQIIQS
General information:
TITO was launched using:
RESULT:
Template:
3IKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99468 for 1434 contacts (-69.4/contact) +
2D Compatibility (PS) -21011 + (NN) -14616 + (LL) 208
1D Compatibility (HY) -24000 + (ID) 6600
Total energy: -165487.0 ( -115.40 by residue)
QMean score : 0.694
(partial model without unconserved sides chains):
PDB file :
Tito_3IKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IKB-query.scw
PDB file :
Tito_Scwrl_3IKB.pdb
: