Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLPDKAS
3GGS Chain:B ((23-307))
MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFQTVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITDKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLP----
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) -221110 for 2374 contacts (-93.1/contact) +
2D Compatibility (PS) -30717 + (NN) -19437 + (LL) 104
1D Compatibility (HY) -41600 + (ID) 14150
Total energy: -326910.0 ( -137.70 by residue)
QMean score : 0.751
(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
: