Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFLDHEKRRQLLNERHSCKMFDSHYEFSSTELEEIAEIARLSPSSYNTQPWHFVMVTNKDLKKQIAAHSYFNEEMIKSASALMVVCSLKPSELLPTSHYMQNLYPESYKVRVIPSFA-------QMLGVRFNHSMQKLESYILEQCYIAVGQICMGVSLMGLDSCIIGGFDPLKVGEILEERINKPKIVCLIALGKRVAEAS--KKSRKSKVDAITWL
3BEM Chain:A ((13-218))
-----MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAAN-GQYKVVSSSAVLLVLGDKQAYQQA-ADIYEGLK--VLGILNKQEYDHMVQDTVSFY---ENRGEQFKRDEAIRNASLSAMMFMLSAAAAGWDTCPMIGFDAEAVKRILNIDD-QFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM
General information:
TITO was launched using:
RESULT:
Template:
3BEM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135458 for 1399 contacts (-96.8/contact) +
2D Compatibility (PS) -20732 + (NN) -3809 + (LL) 692
1D Compatibility (HY) -8000 + (ID) 2150
Total energy: -169457.0 ( -121.13 by residue)
QMean score : 0.429
(partial model without unconserved sides chains):
PDB file :
Tito_3BEM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BEM-query.scw
PDB file :
Tito_Scwrl_3BEM.pdb
: