Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIIFVWAQDRAGNIGKDNKMPWHLPGDLQFFKKTTTGKTLVMGRKTYESLG-KALPNRKTIVLTRDQGLKLDDAEILHSKEAVLALAE--TGEPIYIVGGAEIYRLFMDVADQLIVTKIDAEFEADTAFPEVDWENFSEVAKEFHEKDEKNKYNYTFYTYERN
3DFR Chain:A ((1-161))
-TAFLWAQNRNGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHLDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEVWQKK
General information:
TITO was launched using:
RESULT:
Template:
3DFR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87118 for 1172 contacts (-74.3/contact) +
2D Compatibility (PS) -16853 + (NN) -3141 + (LL) 272
1D Compatibility (HY) -13600 + (ID) 3050
Total energy: -123490.0 ( -105.37 by residue)
QMean score : 0.663
(partial model without unconserved sides chains):
PDB file :
Tito_3DFR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DFR-query.scw
PDB file :
Tito_Scwrl_3DFR.pdb
: