Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTDLEKIIKAIKSDSQNQNYT-ENGIDPLFAAPKTARINIVGQAPGLKTQEARLYWKDKSGDRLRQWLGVDEETFYHSGKFAVLPLDFYYPGKGKSGDLPPRKGFAEKWHPLILKEMPN---VQLTLLVGQYAQKYYLGSSAHKNLTETVKSYKDYLPDYLPLVHPSPRNQIWLKKNPWFEKDLIVDLQKIVADILKD
3IKB Chain:A ((5-196))
-TSLEEITKAIMADSQNKVFTEKNIEPLFA-APKTARINIVGQAPGIKAQESRLYWNDKSGDRLREWMGVDYDTFYHSGYFAVIPMDFYYPGKGKSGDLPPRKG---FAQKWHQPILDLLPDIQLTILIGNYAQKYYLHQKSSVKLTDTVAHYKKYLPDYFPLVHPSPRNQIWMSRHPWFEAQVVPDLKKIIQQIIQS
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) -80309 for 1392 contacts (-57.7/contact) +
2D Compatibility (PS) -20802 + (NN) -13650 + (LL) 732
1D Compatibility (HY) -20400 + (ID) 5950
Total energy: -140379.0 ( -100.85 by residue)
QMean score : 0.638
(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
: