Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDTHLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
3ACD Chain:A ((12-179))
-------VQISAEAIKKRVEELGGEIARDYQGKTPHLICVLNGAFIFMADLVRAIPLPLTMDFIAIS------------ELLKDLRLPIHGRDVIVVEDIVDTGLTLSYLLDYLEARKPASVRVAALLSKPSRRQVEVPIHYLGFEIEDAYVYGYGLDRAQFDRNLPFITSIRPE----
General information:
TITO was launched using:
RESULT:
Template:
3ACD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127284 for 1214 contacts (-104.8/contact) +
2D Compatibility (PS) -16841 + (NN) -2383 + (LL) 684
1D Compatibility (HY) -18400 + (ID) 3100
Total energy: -167324.0 ( -137.83 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_3ACD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ACD-query.scw
PDB file :
Tito_Scwrl_3ACD.pdb
: