Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKDIIKVDHIFKSIGQKTILEDISFSIASNQCVALIGPNGAGKTTLMSTLLGDISISSGSLTI----FNLPAHHNRLKYKVAILPQENVLPSKFTVRELI---------DFQRCLFPEVLP--MSLILDYLQWSDTHLQQFTE-TLSGGQKRLLAFVLTLVGKPQLLFLDEPTSGMDTSTRQRFWELIATLKKEGVTIVYSSHYIEEVEHTADRILVLHKGKLLRDTTPFAMKQEKTEKLFTVPLSYQKLLPTYLITECEAKSDSITFVTGEAEAVWKILADNGCPIEAIEMTNRTLLNRIFETTKEVKHENL
4WBS Chain:A ((42-262))
-------VRNLKKRYGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEENIRAVLELQVGDDGKRLSKDAIASRTEALLDELQIS--HLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIENESVRRVYLGEHFRM----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4WBS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -175472 for 1571 contacts (-111.7/contact) +
2D Compatibility (PS) -22090 + (NN) -10292 + (LL) 6308
1D Compatibility (HY) -15200 + (ID) 3050
Total energy: -219796.0 ( -139.91 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_4WBS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WBS-query.scw
PDB file :
Tito_Scwrl_4WBS.pdb
: