Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIHIGVLSASDRASKGVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMC--DEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
2PBQ Chain:A ((5-177))
--KAVIGVVTISDRASKGIYEDISGKAIIDYLKDVIITPFEVEYRVIPDERDLIEKTLIELADEK--GCSLILTTGGTGPAPRDVTPEATEAVCEKMLPGFGELMRQVSLKQVPTAILSRQTAGIRGSCLIVNLPGKPQSIKVCLDAVMPAIPYCIDLIGGAYIDTDPNKVKAFRPKK
General information:
TITO was launched using:
RESULT:
Template:
2PBQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113813 for 1440 contacts (-79.0/contact) +
2D Compatibility (PS) -17780 + (NN) -1585 + (LL) 524
1D Compatibility (HY) -20400 + (ID) 5400
Total energy: -158454.0 ( -110.04 by residue)
QMean score : 0.438
(partial model without unconserved sides chains):
PDB file :
Tito_2PBQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PBQ-query.scw
PDB file :
Tito_Scwrl_2PBQ.pdb
: