Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQQKSLTLIVAL-TTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDL---GNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYK-----DIHCDVFFPLKFRDKEWSSVWKKEKHS---DLESWVGTKV--PHG--------------KINEDGFDYEFEMWTRDL
3CSE Chain:A ((3-218))
--K-VPVVGIVAALLPEMGIGFQGNLPWRLAKEMKYFREVTTLTN---DNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGELRKVEDGIYHSNSLRNCLTALQSSL--ANENKIERIYIIGGGEIYRQSM--DLADHWLITKIMPLPETTIPQMDTFLQK--------QELEQRFYDNSDKLVDFLPSSIQLEGRLTSQEWNGELVKGLPVQEKGYQFYFTLYTKKL
General information:
TITO was launched using:
RESULT:
Template:
3CSE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113822 for 1391 contacts (-81.8/contact) +
2D Compatibility (PS) -20116 + (NN) -5294 + (LL) 640
1D Compatibility (HY) -16800 + (ID) 3250
Total energy: -158642.0 ( -114.05 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_3CSE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CSE-query.scw
PDB file :
Tito_Scwrl_3CSE.pdb
: