Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILD----QPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3GGS Chain:C ((47-304))
--------------------PQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRST----AGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFQTVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITDKV--IMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASI-
General information:
TITO was launched using:
RESULT:
Template:
3GGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171451 for 1974 contacts (-86.9/contact) +
2D Compatibility (PS) -25852 + (NN) -9983 + (LL) 1800
1D Compatibility (HY) -24800 + (ID) 6300
Total energy: -236586.0 ( -119.85 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3GGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GGS-query.scw
PDB file :
Tito_Scwrl_3GGS.pdb
: