Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDDTIPAIISHDE
3PKA Chain:A ((39-284))
--PWVQTPEVIEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVD-NGAYPSTLGYKGFPKSCCTSLNEVICHGIPDS-TVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILTC--------------
General information:
TITO was launched using:
RESULT:
Template:
3PKA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149975 for 2209 contacts (-67.9/contact) +
2D Compatibility (PS) -27362 + (NN) -9661 + (LL) 1324
1D Compatibility (HY) -19600 + (ID) 6250
Total energy: -211524.0 ( -95.76 by residue)
QMean score : 0.690
(partial model without unconserved sides chains):
PDB file :
Tito_3PKA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PKA-query.scw
PDB file :
Tito_Scwrl_3PKA.pdb
: