Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARKTNTRKRRVKKNIESGIAHIRSTFNNTIVMITDTHGNALAWSSAGSLGFKGSRKSTPFAAQMAAESAAKSAQEHGLKTLEVTVKGPGSGREAAIRALQAAGLEVTAIKDVTPVPHNGCRPPKRRRV
4GKJ Chain:K ((1-116))
------------KRQVASGRAYIHASYNNTIVTITDPDGNPITWSSGGVIGYKGSRKGTPYAAQLAALDAAKKAMAYGMQSVDVIVRGTGAGREQAIRALQASGLQVKSIVDDTPVPHNGCRPKKKFR-
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) -27684 for 880 contacts (-31.5/contact) +
2D Compatibility (PS) -13202 + (NN) -10457 + (LL) 1288
1D Compatibility (HY) -8000 + (ID) 3400
Total energy: -61455.0 ( -69.84 by residue)
QMean score : 0.706
(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
: