Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKGILGRKVGMTQVFTENGELIPVTVIEAAQNVVLQKKTVETDGYEAVQIGFEDKRAILSNKPEQGHVAKANTTPKRFIREFRDVNLDEYEIGAEVKVDVFAEGDIIDATGVSKGKGFQGVIKRHGQSRGPMAHGS-RYHRRPGSMGPV-APNRVFKNKLLPGRMGGEQITIQNLEIVKVDVEKNVLLVKGNVPGAKKALVQIKTATKAK
3PIP Chain:B ((2-199))
--KGILGTKIGMTQIW-KNDRAIPVTVVLAGPCPIVQRKTAQTDGYEAVQIGYAPKAERKVNKPMQGHFAKAGVAPTRILREFRGFAPD----GDSVNVDIFAEGEKIDATGTSKGKGTQGVMKRWNFAGGPASHGSKKWHRRPGSIGQRKTPGRVYKGKRMAGHMGMERVTVQNLEVVEIRAGENLILVKGAIPGANGGLVVLR------
General information:
TITO was launched using:
RESULT:
Template:
3PIP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12638 for 1307 contacts (-9.7/contact) +
2D Compatibility (PS) -20910 + (NN) -5114 + (LL) 1336
1D Compatibility (HY) -14000 + (ID) 5350
Total energy: -56676.0 ( -43.36 by residue)
QMean score : 0.331
(partial model without unconserved sides chains):
PDB file :
Tito_3PIP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PIP-query.scw
PDB file :
Tito_Scwrl_3PIP.pdb
: