Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIHIGVLSASDRASKGVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMCDEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
3MCJ Chain:E ((8-177))
-----IGVVTIS-------YEDISGKAIIDYLKDVIITPFEVEYRVIPDERDLIEKTLIELADEKGCSLILTTGGTGPAPRDVTPEATEAVCEKMLPGFGELMRQVSLKQVPTAILSRQTAGIRGSCLIVNLPGKPQSIKVCLDAVMPAIPYCIDLIGGAYIDTDPNKVKAFRPK-
General information:
TITO was launched using:
RESULT:
Template:
3MCJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108743 for 1334 contacts (-81.5/contact) +
2D Compatibility (PS) -16852 + (NN) -877 + (LL) 972
1D Compatibility (HY) -20000 + (ID) 5200
Total energy: -150700.0 ( -112.97 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_3MCJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MCJ-query.scw
PDB file :
Tito_Scwrl_3MCJ.pdb
: