Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIHIGVLSASDRASKGVYEDLSGKAIQEVLSEYLLNPLEFHYEIVADERDLIEKSLIKMCDEYQCDLVVTTGGTGPALRDITPEATKKVCQKMLPGFGELMRMTSLKYVPTAILSRQSAGIRNKSLIINLPGKPKSIRECLEAVFPAIPYCVDLILGNYMQVNEKNIQAFRPKQ
3K6A Chain:A ((8-178))
----KIGIVTVSDRASAGIYEDISGKAIIDTLNDYLTSEWEPIYQVIPDEQDVIETTLIKMADEQDCCLIVTTGGTGPAKRDVTPEATEAVCDRMMPGFGELMRAESLKFVPTAILSRQTAGLRGDSLIVNLPGKPKSIRECLDAVFPAIPYCIDLMEGPYLECNEAVIKPFRPK-
General information:
TITO was launched using:
RESULT:
Template:
3K6A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114507 for 1404 contacts (-81.6/contact) +
2D Compatibility (PS) -17902 + (NN) -1904 + (LL) 704
1D Compatibility (HY) -19600 + (ID) 5600
Total energy: -158809.0 ( -113.11 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_3K6A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K6A-query.scw
PDB file :
Tito_Scwrl_3K6A.pdb
: