Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGEKKLKAAVVLSGCGHLDGAEVREVVLSLLVLDQQEVEVKCFAPDI-NITQVVNHKTTEAVKEKRNVLVEAARVARSEICDLKEA-KAEDFDMLVVPGGYGVAKNLSDLAEDKEVVTVIPEFERLVSEFFATKKPIGAICISPAIIVS--ILSSKTSKGESKIKVTIGDDREKLIEKLGGEHIKCDTGLSIEDEEHNVFSCSAYMR---RDESTYSVYQGIKHMIDSMVKKTNKRI
2RK3 Chain:A ((2-184))
---ASKRALVIL-----AKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQC-----------SRDVVI-------CPDASLEDAKKEGPYDVVVLPGGNLGAQNLS----------ESAAVKEILKEQENRKGLIATICAGPTALLAHEIGFG--------SKVTTHPLAKDKMMN-GGHYTY--SENRVE-KDGLILTSRGPGTSFEFALAIVEALNG-KEVAAQVKAPLVLK-
General information:
TITO was launched using:
RESULT:
Template:
2RK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110824 for 1584 contacts (-70.0/contact) +
2D Compatibility (PS) -18840 + (NN) -2366 + (LL) 3060
1D Compatibility (HY) -4000 + (ID) 2000
Total energy: -134970.0 ( -85.21 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_2RK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RK3-query.scw
PDB file :
Tito_Scwrl_2RK3.pdb
: