Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQTNLDDTLDVLNDLLQTSKDGEAGFHACAEDLRDPQLKAAMLEQSRDCAAAADELERIVLELGGKPKDSTSFAGDLHRRWVDLKSLVTGKDEEAVLN-----ECERGEDVAKHRYQAALE---KSLPAEIHQVIERQYQGVLRHHDRVRALRDARA
2GYQ Chain:A ((12-162))
---TMEDLLLHGLRDIYYAEQQITKALPKMIEQATNRDLSQGLTSHLEETQKQIERLDQVFKKLGQKPSGVNCP--AIDGLIKEADETAGEIADKTVLDAAIVANAQAVEHYEIARYGTLIAWAEELGHDDIVRFLTTNLNEEKAANTKLNTVALRAS
General information:
TITO was launched using:
RESULT:
Template:
2GYQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5373 for 1015 contacts (-5.3/contact) +
2D Compatibility (PS) -16059 + (NN) -13221 + (LL) 220
1D Compatibility (HY) -4000 + (ID) 900
Total energy: -39333.0 ( -38.75 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_2GYQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GYQ-query.scw
PDB file :
Tito_Scwrl_2GYQ.pdb
: