Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIV-KAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDD-KPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
4PNC Chain:A ((2-250))
-AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGQGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKE-IRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDDTIPAIIS
General information:
TITO was launched using:
RESULT:
Template:
4PNC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162686 for 2160 contacts (-75.3/contact) +
2D Compatibility (PS) -26932 + (NN) -11405 + (LL) 260
1D Compatibility (HY) -26000 + (ID) 7050
Total energy: -233813.0 ( -108.25 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_4PNC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PNC-query.scw
PDB file :
Tito_Scwrl_4PNC.pdb
: