Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVTVGVICAIPQELAYLRGVLVDAKRQQVAQILFDSGQLDAHRVVLAAAGMGKVNTGLTATLLADRFGCRTIVFTGVAGGLDPELCIGDIVIADRVVQHDFGLLTDERLRPYQPGHIPFIEPTERLGYPVDPAVIDRVKHRLDGFTLAPLSTAAGGGGRQPRIYY--GTILTGDQYLHCERTRNRL--HHELGGMAVEMEGGAVAQICASFDIPWLVIRALSDLAGADSGVDFNRFVGEVAASSARVLLRLLPVLTAC
4WKB Chain:A ((1-230))
--MKIGIIGAMQQEVAILKDLIEDVQEVNQAGCTFYSGQIQGVDVVLLQSGIGKVSAALGTALLISQYAPDVVINTGSAGGFDASLNVGDVVISSEVRHHD----ADVTAFGYEIGQMA--------GQPAAFKADEKL-----------MTVAEQALAQLPNTHAVRGLICTGDAFV-CTAERQQFIRQHFPSVVAVEMEASAIAQTCHQFKVPFVVVRAISDVADKESPLSFEEFLPLAAKSSSAMVLKMVELL---
General information:
TITO was launched using:
RESULT:
Template:
4WKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -191253 for 1994 contacts (-95.9/contact) +
2D Compatibility (PS) -23784 + (NN) -7385 + (LL) 2192
1D Compatibility (HY) -18000 + (ID) 3850
Total energy: -242080.0 ( -121.40 by residue)
QMean score : 0.417
(partial model without unconserved sides chains):
PDB file :
Tito_4WKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WKB-query.scw
PDB file :
Tito_Scwrl_4WKB.pdb
: