Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMTKARLTNPKFQIAAQNAITRSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAAGFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVATPQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLKPEFVEIIEATK
4TIM Chain:B ((2-250))
--SKPQPIAAANWKCNGSQQSLSELIDLFNSTSINHDVQCVVASTFVHLAMTKERLSHPKFVIAAQNAIAKSGAFTGEVSLPILKDFGVNWIVLGHSERRAYYGETNEIVADKVAAAVASGFMVIACIGETLQERESGRTAVVVLTQIAAIAKKLKKADWAKVVIAYEPVWAIGTGKVATPQQAQEAHALIRSWVSSKIGADVAGELRILYGGSVNGKNARTLYQQRDVNGFLVGGASLKPEFVDIIKATQ
General information:
TITO was launched using:
RESULT:
Template:
4TIM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -192834 for 2135 contacts (-90.3/contact) +
2D Compatibility (PS) -27136 + (NN) -10499 + (LL) 352
1D Compatibility (HY) -29200 + (ID) 9200
Total energy: -268517.0 ( -125.77 by residue)
QMean score : 0.842
(partial model without unconserved sides chains):
PDB file :
Tito_4TIM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TIM-query.scw
PDB file :
Tito_Scwrl_4TIM.pdb
: