Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIV-KAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDD-KPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
2GG8 Chain:A ((1-249))
-AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKE-IRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDDTIPAIIS
General information:
TITO was launched using:
RESULT:
Template:
2GG8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162900 for 2173 contacts (-75.0/contact) +
2D Compatibility (PS) -27124 + (NN) -14511 + (LL) 260
1D Compatibility (HY) -26000 + (ID) 7050
Total energy: -237325.0 ( -109.22 by residue)
QMean score : 0.509
(partial model without unconserved sides chains):
PDB file :
Tito_2GG8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GG8-query.scw
PDB file :
Tito_Scwrl_2GG8.pdb
: