Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIHIGVLSASDRASKGVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMCDEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
2QQ1 Chain:A ((8-178))
-----IGVVTISDRASKGIYEDISGKAIIDYLKDVIITPFEVEYRVIPDERDLIEKTLIELADEKGCSLILTTGGTGPAPRDVTPEATEAVCEKMLPGFGELMRQVSLKQVPTAILSRQTAGIRGSCLIVNLPGKPQSIKVCLDAVMPAIPYCIDLIGGAYIDTDPNKVKAFRPKK
General information:
TITO was launched using:
RESULT:
Template:
2QQ1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111251 for 1431 contacts (-77.7/contact) +
2D Compatibility (PS) -17602 + (NN) -946 + (LL) 628
1D Compatibility (HY) -20400 + (ID) 5500
Total energy: -155071.0 ( -108.37 by residue)
QMean score : 0.415
(partial model without unconserved sides chains):
PDB file :
Tito_2QQ1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QQ1-query.scw
PDB file :
Tito_Scwrl_2QQ1.pdb
: