Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQVVDGSNTGGFNPGPFDGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTGGASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQGQIDALLKAVDPSLSINSTFDQLAAAGVAHATPAAAAAEVGVVGVQELPHDLALAA
3MOL Chain:B ((2-180))
-SISISYSTTYSGWTVADYLADWSAYFGDVNARPGQVVDG-NTGGFNPGPFDGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTG----GGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQGQIDALLKAVDPSLSINSTFDQLAAAGVAHA-------------------------
General information:
TITO was launched using:
RESULT:
Template:
3MOL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114093 for 1467 contacts (-77.8/contact) +
2D Compatibility (PS) -19214 + (NN) -13716 + (LL) 2268
1D Compatibility (HY) -21200 + (ID) 8650
Total energy: -174605.0 ( -119.02 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_3MOL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MOL-query.scw
PDB file :
Tito_Scwrl_3MOL.pdb
: