Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKPMNDVEIAETVLLPGDPLRAKFIAETYL-DDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGHFAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
3UAW Chain:A ((2-232))
---SVHIEA-KQGEIAESILLPGDPLRAKYIAE-TFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHIFTGEETTSEERQTTFNEMIEIALDAA
General information:
TITO was launched using:
RESULT:
Template:
3UAW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183706 for 2101 contacts (-87.4/contact) +
2D Compatibility (PS) -24912 + (NN) -8106 + (LL) 504
1D Compatibility (HY) -22000 + (ID) 6000
Total energy: -244220.0 ( -116.24 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_3UAW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UAW-query.scw
PDB file :
Tito_Scwrl_3UAW.pdb
: