Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LELPFSGQSIIPAAHNQK-----DMEKIL-ELGLTYMVMLETHVAQLKSLVKYAQAG-GKKVLLHADLVNGLKNDDYAIDFLCTEICPDGIISTR--GNAIMKAKQHKMLAIQRLFMIDSSACNKGVALIQKVQPDCIELLPG--IIPEQVQKMTQK-LHIPVIAGGLIETSEQVNQVIASGAIAVTTSNKHLW
1WA3 Chain:A ((3-180))
MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTV-PDADTVIKELSFLKEKGAIIGAGTV----TSVEQCRKAVE-SGAEFIVSPHLDEEISQFCKEKGVFYMPG---VMTP--T-ELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNL-DNVCEWFKAGVLAVGVGSA---
General information:
TITO was launched using:
RESULT:
Template:
1WA3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110477 for 1333 contacts (-82.9/contact) +
2D Compatibility (PS) -17313 + (NN) -7421 + (LL) 1412
1D Compatibility (HY) -7200 + (ID) 1250
Total energy: -142249.0 ( -106.71 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_1WA3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WA3-query.scw
PDB file :
Tito_Scwrl_1WA3.pdb
: