Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENEFTYEDYETTAKWLLQHTEYRPQVAVICGSGLGGLTAHLKEAQIFDYNEIPNFPQSTVQGHAGRLVFGLLNGRCCVMMQGRFHMYEGYSLSKVTFPVRVFHLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFCGQNPLRGPNDERFGVRFPAMSDAYDRDMRQKAFTAWKQMGEQRKLQEGTYVMLAGPNFETVAESRLLKMLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVVMDYENLEKANHMEVLDAGKAAAQTLERFVSILMESIPLPDRGS
3GGS Chain:A ((25-308))
--NGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFQTVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITDKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLPD---
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) -217611 for 2375 contacts (-91.6/contact) +
2D Compatibility (PS) -30506 + (NN) -17636 + (LL) 212
1D Compatibility (HY) -38000 + (ID) 11900
Total energy: -315441.0 ( -132.82 by residue)
QMean score : 0.593
(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
: