Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFELKNIAYRYKGNDNKTLENINYSFQSGVFYTILGNSDSGKTTLLSLMAGLDSPTEGQVLFNKKDIKEAGYAQHRKKNIALVFQNYNLLDYLTPLENVQL---VKPTADKQLLLDLG--LK-EDMLTRNILRLSGGQQQRVAIARALVAGTPAILLDEPTGNLDFDIARDITMRLKDFAHKEKRCVIMVTHSREIAH-MAD-TALQLTGDNLKELSKESIAQSILQQRNL
3D31 Chain:A ((1-223))
MIEIESLSRKWK---NFSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSPEKH---DIAFVYQNYSLFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPVEGRVA
General information:
TITO was launched using:
RESULT:
Template:
3D31.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112548 for 1672 contacts (-67.3/contact) +
2D Compatibility (PS) -23071 + (NN) -8239 + (LL) -100
1D Compatibility (HY) -16800 + (ID) 3950
Total energy: -164708.0 ( -98.51 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_3D31.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D31-query.scw
PDB file :
Tito_Scwrl_3D31.pdb
: