Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----------------------------------MNLRGILPFAHDTLRKVVRSGDYVVDATCGNGHDTLLLAELVGINGHVLGFDIQQLAIDATNTRLENAGVSSQVELVCASHARIPEYTSKPVRAAIFNLGYLPGGDKEITTTADSTLESIGHLMELLEVGGVIILVIY------HGHPAGKQEKDAVMTFCEAIPQQDFHVLSYNFINQKNDAPFVIIIEKRKPRQS
3LCC Chain:A ((13-228))
GGNVIPTPEEVATFLHKTVEEGGWEKCWEEEITPWDQGRATPLIVHLVDTSSLPLGRALVPGCGGGHDVVAMASP---ERFVVGLDISESALAKANETYGSSPKAEYFSFVKED---VFTWRPTELFDLIFDYVFF------CAIEPEMRPAWAKSMYELLKPDGELITLMYPITDHVGGPPYKVDVSTFEEVLVPIGFKAVSVEENPHAIPTRKGKEKLGRWKKINL---
General information:
TITO was launched using:
RESULT:
Template:
3LCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128007 for 1410 contacts (-90.8/contact) +
2D Compatibility (PS) -18732 + (NN) -1802 + (LL) 312
1D Compatibility (HY) -4400 + (ID) 1300
Total energy: -153929.0 ( -109.17 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_3LCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LCC-query.scw
PDB file :
Tito_Scwrl_3LCC.pdb
: