Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRSQKVILTNMCLIEDN-KGRIVMQIRDPKRYSWSG-AALPGGHIEEGESLYDALVREVHEETGLTISNPKLVGMKHWYTDEG-IRYLVFLYKTYDFSGELQSSDEGDVVWIERSQLDKIELAYDMLNLLRVFDEDDISEMFYSKRLEDGFIRKFY
3EXQ Chain:A ((5-140))
--RTQPVELVTMVMVTDPETQRVLVEDKVNV--PWKAGHSFPGGHVEVGEPCATAAIREVFEETGLRLSGVTFCGTCEWFDDDRQHRKLGLLYRASNFTGTLKASAEGQLSWLPITALTRENSAASLPEFLQVFTGTASTLVSDSWNGNLRIDEGHH
General information:
TITO was launched using:
RESULT:
Template:
3EXQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76875 for 905 contacts (-84.9/contact) +
2D Compatibility (PS) -14390 + (NN) -6754 + (LL) 372
1D Compatibility (HY) -8400 + (ID) 2200
Total energy: -108247.0 ( -119.61 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_3EXQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EXQ-query.scw
PDB file :
Tito_Scwrl_3EXQ.pdb
: