Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDTHLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
3H83 Chain:B ((26-203))
MNQDIEKVLISEEQIQEKVLELGAIIAEDYKNTVPLAIGVLKGAMPFMADLLKRTDTYLEMDFMAVSSYGHSTVSTGEVKILKDLDTSVEGRDILIVEDIIDSGLTLSYLVDLFKYRKAKSVKIVTLLDKPTGRKVDLKADYVGFTVPHEFVVGYGLDYKEQYRNLPYVGVLKPSVYS-
General information:
TITO was launched using:
RESULT:
Template:
3H83.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127244 for 1400 contacts (-90.9/contact) +
2D Compatibility (PS) -19065 + (NN) -5361 + (LL) -80
1D Compatibility (HY) -21600 + (ID) 4950
Total energy: -178300.0 ( -127.36 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_3H83.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H83-query.scw
PDB file :
Tito_Scwrl_3H83.pdb
: