Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKRNVTAKKKVVKKNIARGVVYISATFNNTNITITDEMGNVICWSTAGGLGFKGSKKSTPYAAQQAVESALSKAKEHGVKEVGIKVQGPGSGRETAIKSVGATEGVKVLWIKDITPLPHNGCRPPKRRRV
4GKJ Chain:K ((1-116))
-------------KRQVASGRAYIHASYNNTIVTITDPDGNPITWSSGGVIGYKGSRKGTPYAAQLAALDAAKKAMAYGMQSVDVIVRGTGAGREQAIRALQAS-GLQVKSIVDDTPVPHNGCRPKKKFRK
General information:
TITO was launched using:
RESULT:
Template:
4GKJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -26795 for 880 contacts (-30.4/contact) +
2D Compatibility (PS) -12826 + (NN) -7422 + (LL) 1504
1D Compatibility (HY) -4800 + (ID) 3000
Total energy: -53339.0 ( -60.61 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_4GKJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GKJ-query.scw
PDB file :
Tito_Scwrl_4GKJ.pdb
: