Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPHINAKIGDFYPQCLLCGDPLRVSYIAKNFLQDAKEITNVRNMLGFSGKYKGKGISLMGHGMGIASCTIYVTELIKTYQVKELLRIGTCGAISPKVGLKDIVMATGASTDSKTNRVRFLNHDLSATPDFELSLRAYQTAKRLGIDLKIGNVFSSDFFYSFETHAFGLMAQYNHLAIEMEAAGLYATAMELNAKALCLCSVSDHLITKEALSPKERIESFDNMITLALEMMS
1PKE Chain:B ((2-230))
-TPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALESVL
General information:
TITO was launched using:
RESULT:
Template:
1PKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -185748 for 1928 contacts (-96.3/contact) +
2D Compatibility (PS) -23741 + (NN) -1015 + (LL) 208
1D Compatibility (HY) -24000 + (ID) 6200
Total energy: -240496.0 ( -124.74 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_1PKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PKE-query.scw
PDB file :
Tito_Scwrl_1PKE.pdb
: