Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKKVGTDRVKRGMAQMQKGGVIMDVVNAEQAKIAEEAGAVAVMALERVPSDIRAAGGVARMADPRIVEEVMKAVSIPVMAKARIGHITEARVLEAMGVDYIDESEVLTPADDEFHLLKSDFTVPFVCGCRDIGEALRRIGEGAAMLRTKGEPGTGNIVEAVRHMRQVNGQIRQIAGMTDDELMVAAKNFGAPYELIKEIKTLGKLPVVNFAAGGVATPADAALMMELGADGVFVGSGIFKSDNPAKFASAIVQATTYYTDYELIGKLSKELGSPMKGIEMSRLNPEDRMQDRSF
4WXZ Chain:A ((28-280))
------------------KGGVIMDVVNAEQAKIAEAAGAVAVMALER---------GVARMADPTVIEEVMNAVSIPVMA-VRIGHYVEARVLEALGVDYIDESEVLTPADEEFHIDKRQFTVPFVCGCRDLGEAARRIAEGASMLRT-GEPGTGNIVEAVRHMRKVNAQIRKVVNMSEDELVAEAKQLGAPVEVLREIKRLGRLPVVNFAAGGVTTPADAALMMHLGADGVFVGSGIFKSENPEKYARAIVEATTHYEDYELIAHLSKG------------------------
General information:
TITO was launched using:
RESULT:
Template:
4WXZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -182171 for 2030 contacts (-89.7/contact) +
2D Compatibility (PS) -26800 + (NN) -15833 + (LL) 3080
1D Compatibility (HY) -30400 + (ID) 9650
Total energy: -261774.0 ( -128.95 by residue)
QMean score : 0.659
(partial model without unconserved sides chains):
PDB file :
Tito_4WXZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WXZ-query.scw
PDB file :
Tito_Scwrl_4WXZ.pdb
: