Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFIKTREPGGSPISEKVRNIVLGIGNEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETILADILRQLA
3HJN Chain:A ((1-192))
---MFITFEGIDGSGKSTQIQLLAQYLEKRGKKVILKREPGGTETGEKIRKILLEE---EVTPKAELFLFLASRNL-LVTEIKQYLSEGYAVLLDRYTDSSVAYQGFGRNLGKEIVEELNDFATDGLIPDLTFYIDVDVETALKRK---NRF-----E--KREFLERVREGYLVLAREHPERIVVLDGKRSIEEIHRDVVREVKRR--
General information:
TITO was launched using:
RESULT:
Template:
3HJN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56086 for 1543 contacts (-36.3/contact) +
2D Compatibility (PS) -20609 + (NN) -8337 + (LL) 1500
1D Compatibility (HY) -13200 + (ID) 3700
Total energy: -100432.0 ( -65.09 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_3HJN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HJN-query.scw
PDB file :
Tito_Scwrl_3HJN.pdb
: