Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLPDKAS
2A0X Chain:A ((3-284))
--NGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESLEKANFEEVLAAGKQAAQKLEQFVSILMASIPL-----
General information:
TITO was launched using:
RESULT:
Template:
2A0X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -202635 for 2412 contacts (-84.0/contact) +
2D Compatibility (PS) -30410 + (NN) -20414 + (LL) 276
1D Compatibility (HY) -41200 + (ID) 14000
Total energy: -308383.0 ( -127.85 by residue)
QMean score : 0.788
(partial model without unconserved sides chains):
PDB file :
Tito_2A0X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A0X-query.scw
PDB file :
Tito_Scwrl_2A0X.pdb
: