Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFIVIKIGGSTL--SDMHPSIINNIKHLRSNNIYP-IIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGV-----PTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLIND-VVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
1OHB Chain:A ((2-257))
MNPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDELMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAVGLFLGDGDSVKVTQLDEELGHVGLAQPGSPKLINS----LLENGYLPVVSSIGVTD-EGQLMNVNADQAATALAATLGADLILLSDVSGILDGKGQRIAEMTAAKAEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAEQLPALFNGMPMGTRIL--
General information:
TITO was launched using:
RESULT:
Template:
1OHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207338 for 2122 contacts (-97.7/contact) +
2D Compatibility (PS) -26747 + (NN) -9737 + (LL) 300
1D Compatibility (HY) -16800 + (ID) 3950
Total energy: -264272.0 ( -124.54 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_1OHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1OHB-query.scw
PDB file :
Tito_Scwrl_1OHB.pdb
: