Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDVKALKLMTLNDVLSQINGDMTLGIGTGSTMELLLPQMAQLIKERGYNITGVCTSNKIAFLAKELGIKICEINDVDHIDLAIDGADEVDPSLNIIKGGGGALFREKVIDEMASRFVVVVDETKIVQYLGETFKLPVEVDKFNWYHILRKIESYADI-----KVERRVNEDVAFITDNGNYILDCKLPKGIDPYKFHEYLIHLTGVFETGYFLDMADQVIVGTQEG-VKILEK
3HHE Chain:B ((23-251))
--NVQQLKKMAALKALEFVEDDMRLGIGSGSTVNEFIPLLGERVA-NGLRVTCVATSQYSEQLCHKFGVPISTLEKIPELDLDIDGADEIGPEMTLIKGGGGALLHEKIVASASRAMFVIADETKMVKTLG-AFALPIEVNPFGIHATRIAIEKAADNLGLSGEITLRMNGDDPFKTDGGHFIFDAFWGRILQPKLLSEALLAIPGVVEHGLFLGLASRAIVAMADSQIKVLE-
General information:
TITO was launched using:
RESULT:
Template:
3HHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160924 for 1899 contacts (-84.7/contact) +
2D Compatibility (PS) -24435 + (NN) -10206 + (LL) 544
1D Compatibility (HY) -18800 + (ID) 4200
Total energy: -218021.0 ( -114.81 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3HHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HHE-query.scw
PDB file :
Tito_Scwrl_3HHE.pdb
: