Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTAQEFRAGQVANINGAPWVIQKAEFNKSGRNAAVVKMKLKNLLTGAGTETVFKADDKLEPIILDRKEVTYSYFADPLYVFMDS-EFNQYEIEKDDLEGVLTFIEDGMTDICEAVFYNDKVISVELPTTIVRQIAYTEPAVRGDTSGKVMKTARLNNGAELQVSAFCEIGDSIEIDTRTGEYKSRVKA
3A5Z Chain:B ((6-139))
TYYSNDFRAGLKIMLDGEPYAVEASEFVKPGKGQAFARVKLRRLLTGTRVEKTFKSTDSAEGADVVDMNLTYLYNDGEFWHFMNNETFEQLSADAKAIGDNAKWLLDQA--ECIVTLWNGQPISVTPPNFVELEIV-----------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3A5Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68088 for 885 contacts (-76.9/contact) +
2D Compatibility (PS) -13891 + (NN) 4253 + (LL) 3064
1D Compatibility (HY) -4800 + (ID) 1850
Total energy: -81312.0 ( -91.88 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_3A5Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A5Z-query.scw
PDB file :
Tito_Scwrl_3A5Z.pdb
: