Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIV-KAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDD-KPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
2GU4 Chain:A ((3-249))
---SIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKE-IRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDDTIPAIIS
General information:
TITO was launched using:
RESULT:
Template:
2GU4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157298 for 2145 contacts (-73.3/contact) +
2D Compatibility (PS) -26694 + (NN) -10102 + (LL) 436
1D Compatibility (HY) -25600 + (ID) 7000
Total energy: -226258.0 ( -105.48 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_2GU4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GU4-query.scw
PDB file :
Tito_Scwrl_2GU4.pdb
: