Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQVVDGSNTGGFNPGPFDGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTGGASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQGQIDALLKAVDPSLSINSTFDQLAAAGVAHATPAAAAAEVGVVGVQELPHDLALAA
3WAH Chain:B ((4-186))
-SISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQVVDGSNTGGFNPGPFDGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTGGASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQGQIDALLKAVDPSLSINSTFDQLAAAGVAHATPAA---------------------
General information:
TITO was launched using:
RESULT:
Template:
3WAH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115241 for 1503 contacts (-76.7/contact) +
2D Compatibility (PS) -20154 + (NN) -14346 + (LL) 2180
1D Compatibility (HY) -21200 + (ID) 9150
Total energy: -177911.0 ( -118.37 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_3WAH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WAH-query.scw
PDB file :
Tito_Scwrl_3WAH.pdb
: