Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNFTLPELPYDKTALEPYISAKTLDFHYDKHHKGYLNKLNELIENTDYQ---NVKIEELIMKVH-GNSDEVPVFNNAAQVWNHTFYWNSMKKSGGDKPKEDGLLAKKIQDDIGGFDKFHEEFFNHGIGQFGSGWVWLVLERGK--LKITKTPNADLPLIYD-QVPLLTMDVWEHAYYLDCQNRRIDYIKIFLDHLINWDFAEENLKKNT
3JS4 Chain:D ((23-222))
--FELSDLPYE--GLEPYISSHLLDRHYNGHHKTYVDVLNKLVVGTEFEGLGNESLGDIVVKAHNSGSAGRAIFNNAAQIWNHDFYWQSMKPNGGGNPPEK--LREMIEHSFGSVEGFNNAFTTSGLGQFGSGWVWLVYDEDAKALKVVSTANADSPLLTQGQLPLATMDVWEHAYYLDYLNLRKKYIDVFLEHLLNWDFVLGRLEDAG
General information:
TITO was launched using:
RESULT:
Template:
3JS4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113127 for 1500 contacts (-75.4/contact) +
2D Compatibility (PS) -20176 + (NN) -7783 + (LL) 248
1D Compatibility (HY) -22000 + (ID) 4950
Total energy: -167788.0 ( -111.86 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_3JS4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JS4-query.scw
PDB file :
Tito_Scwrl_3JS4.pdb
: