Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIHIGVLSASDRASKGVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMCDEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
3MCI Chain:B ((8-177))
-----IGVVTISDRASKGIYEDISGKAIIDYLKDVIITPFEVEYRVIPDERDLIEKTLIELADEKGCSLILTTGGTGPAPRDVTPEATEAVCEKMLPGFGELMRQVSLKQVPTAILSRQTAGIRGSCLIVNLPGKPQSIKVCLDAVMPAIPYCIDLIGGAYIDTDPNKVKAFRPK-
General information:
TITO was launched using:
RESULT:
Template:
3MCI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113962 for 1419 contacts (-80.3/contact) +
2D Compatibility (PS) -17655 + (NN) -960 + (LL) 748
1D Compatibility (HY) -20400 + (ID) 5500
Total energy: -157729.0 ( -111.16 by residue)
QMean score : 0.425
(partial model without unconserved sides chains):
PDB file :
Tito_3MCI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MCI-query.scw
PDB file :
Tito_Scwrl_3MCI.pdb
: