Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLARLRGRRVVPQRSAGELDAMAAAGAVVAAALRAIRAAAAPGTSSLSLDEIAESVIRESGATPSFLGYHGYPASICASINDRVVHGIPSTAEVLAPGDLVSIDCGAVLDGWHGDAAITFGVGALSDADEALSEATRESLQAGIAAMVVGNRLTDVAHAIETGTRAAELRYGRSFGIVAGYGGHGIGRQMHMDPFLPNEGAPGRGPLLAAGSVLAIEPMLTLGTTKTVVLDDKWTVTTADGSRAAHWEHTVAVTDDGPRILTLG
2B3H Chain:A ((73-318))
------------IKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDR-RPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQA------NGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTR-
General information:
TITO was launched using:
RESULT:
Template:
2B3H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127775 for 2169 contacts (-58.9/contact) +
2D Compatibility (PS) -27216 + (NN) -13030 + (LL) 1500
1D Compatibility (HY) -14400 + (ID) 3900
Total energy: -184821.0 ( -85.21 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_2B3H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B3H-query.scw
PDB file :
Tito_Scwrl_2B3H.pdb
: