Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDTHLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
3KB8 Chain:A ((26-203))
MNQDIEKVLISEEQIQEKVLELGAIIAEDYKNTVPLAIGVLKGAMPFMADLLKRTDTYLEMDFMAVSSYGHSTVSTGEVKILKDLDTSVEGRDILIVEDIIDSGLTLSYLVDLFKYRKAKSVKIVTLLDKPTGRKVDLKADYVGFTVPHEFVVGYGLDYKEQYRNLPYVGVLKPSVYS-
General information:
TITO was launched using:
RESULT:
Template:
3KB8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138333 for 1389 contacts (-99.6/contact) +
2D Compatibility (PS) -19373 + (NN) -5704 + (LL) -80
1D Compatibility (HY) -21600 + (ID) 4950
Total energy: -190040.0 ( -136.82 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_3KB8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KB8-query.scw
PDB file :
Tito_Scwrl_3KB8.pdb
: