Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQAIDAILGHYSVRKFEDKDLTEEALTLLIKSAQAASTSSFVQAYSIIGITDKDIREQISAIAGNQPYTVQTGQLFIFVADLARHH------------AILEEHQVDTAALETSE---------KWLVSVIDAALAAQNMAIAAESLGLGICFIGGIRNDVEQIAEILDLPPYTMPLFGLTIGHPVANKEKAKPRLPQDLVYHENSYKKMNPETLAEYDKQIKTYYNERTAGKRVEGWSEQIARGLGRPSRLDLKAFLEKQHLNQK
3BEM Chain:A ((35-205))
---------------------ITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAAAAGWDTCPMIGF--DAEAVKRILNIDDQFEVVMMITIG-----KEKTESRRPR--------------------------------------------------------------------
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) -118111 for 1082 contacts (-109.2/contact) +
2D Compatibility (PS) -16552 + (NN) -10776 + (LL) 6084
1D Compatibility (HY) -6800 + (ID) 1800
Total energy: -147955.0 ( -136.74 by residue)
QMean score : 0.561
(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
: