Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
4GRD Chain:A ((14-166))
---PLVGVLMGSSSDWDVMKHAVAILQEFGVPYEAKVVSAHRMPDEMFDYAEKARERGLRAIIAGAGGAAHLPGMLAAKTTVPVLGVPVASKYLKGVDSLHSIVQMPKGVPVATFAIGEAGAANAALFAVSILSGNSVDYANRLAAFRVRQNEAAHAMVLPPL
General information:
TITO was launched using:
RESULT:
Template:
4GRD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122815 for 1293 contacts (-95.0/contact) +
2D Compatibility (PS) -16635 + (NN) -8281 + (LL) 324
1D Compatibility (HY) -15600 + (ID) 4650
Total energy: -167657.0 ( -129.67 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_4GRD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GRD-query.scw
PDB file :
Tito_Scwrl_4GRD.pdb
: