Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGEKKLKAAVVLSGCGHLDGAEVREVVLSLLVLDQQEVEVKCFAPDINITQVVNHKTTEAVKEKRNVLVEAARVARSEICDLKEAKAED-FDMLVVPGGYGVAKNLSDLAEDKEVVTVIPEFERLVSEFFATKKPIGAICISPAIIVSILSSKTSKGESKIKVTIGDDREKLIEKLGGEHIKCDTGLSIEDEEHNVFSCSAYMRRDESTYSVYQGIKHMIDSMVKKTNKRI
1SOA Chain:A ((2-187))
---ASKRALVIL-----AKGAEEMETVIPVDVMRRAGIKVTVAGLAGKDPVQCSRDVVICPDAS-----------------LEDAKKEGPYDVVVLPGGNLGAQNLSES----------AAVKEILKEQENRKGLIAAIAGPTALLAHEIGFGS-------KVTTHPLAKDKMMN-GGHYTYSENRVEKDG---LILTSRGPGTSFEFALAIVEALNGKEVAAQVKAPLVL
General information:
TITO was launched using:
RESULT:
Template:
1SOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79319 for 1665 contacts (-47.6/contact) +
2D Compatibility (PS) -19794 + (NN) -3334 + (LL) 3444
1D Compatibility (HY) -2400 + (ID) 1800
Total energy: -103203.0 ( -61.98 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_1SOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SOA-query.scw
PDB file :
Tito_Scwrl_1SOA.pdb
: