Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQPWNANIHYDALLDAMVPLGTQCVLDVGCGDGLLAARLARRIPYVTAVDIDAPVLRRAQTRFANAPIRWLHADIMTAELP-NAGFDAVVSNAALHHIEDTRTALSRLGGLVTPGGTLAVVTFVTPSLRNGLWHLTSWVACGMANRVKGKWEHSAPIKWPPPQTLHELRSHVRALLPGACIRRLLYGRVLVTWRAPV
3E8S Chain:A ((43-196))
------------AILLAILGRQPERVLDLGCGEGWLLRALADRGIEAVGVDGDRTLVDAARAAGAGEVHLASYAQLAEAKVPVGKDYDLICANFALLH-QDIIELLSAMRTLLVPGGALVIQTLHPWSVADGDYQ-DGWREESFAG-FAGDWQ-------PMPWYFRTLASWLNAL----------------------
General information:
TITO was launched using:
RESULT:
Template:
3E8S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89655 for 1092 contacts (-82.1/contact) +
2D Compatibility (PS) -16646 + (NN) -5271 + (LL) 3344
1D Compatibility (HY) -8400 + (ID) 2400
Total energy: -119028.0 ( -109.00 by residue)
QMean score : 0.359
(partial model without unconserved sides chains):
PDB file :
Tito_3E8S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E8S-query.scw
PDB file :
Tito_Scwrl_3E8S.pdb
: