Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVPNSVSYYRSASYSHVGMVRKVNED-ASLDAPEAG--LWVVADGMGGHAAGDFVSSLIVDTLRRIPAA---SSLPAYVGALRTGLAQVNERVRQEAGLRGVSVMGSTLVLLAARGNQASCLWAGDSRLYRLRGGVLEAISRDHSYVQELLDNALISEEEARHHPRANVVTRAVGVHEQLELSEAALHVL-PGDSFLLCSDGLNKTADDSELRDVLSHSDPY-AVVRSLVHLGLTRGAPDNITALVVRAF
2PK0 Chain:A ((4-243))
------KYMEISLLTDIGQRRSNNQDFINQFENKAGVPLIILADGMGGHRAGNIASEMTVTDLGSDWAETDFSELSEIRDWMLVSIETENRKIYELGQSDDYKGMGTTIEAVAIVGDNIIFAHVGDSRIGIVRQGEYHLLTSDHSLVNELVKAGQLTEEEAASHPQKNIITQSIGQANPVE-PDLGVHLLEEGDYLVVNSDGLTNMLSNADIATVLTQEKTLDDKNQDLITLANHRGGLDNITVALVYVE
General information:
TITO was launched using:
RESULT:
Template:
2PK0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142377 for 1903 contacts (-74.8/contact) +
2D Compatibility (PS) -24145 + (NN) -4191 + (LL) 520
1D Compatibility (HY) -11600 + (ID) 3500
Total energy: -185293.0 ( -97.37 by residue)
QMean score : 0.433
(partial model without unconserved sides chains):
PDB file :
Tito_2PK0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PK0-query.scw
PDB file :
Tito_Scwrl_2PK0.pdb
: