Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFIVIKIGGSTL--SDMHPSIINNIKHLRSNNIYP-IIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGV-----PTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLIND-VVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
2WXB Chain:A ((2-257))
MNPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDELMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAVGLFLGDGDSVKVTQLDEELGHVGLAQPGSPKLINS----LLENGYLPVVSSIGVTD-EGQLMNVNADQAATALAATLGADLILLSDVSGILDGKGQRIAEMTAAKAEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAEQLPALFNGMPMGTRIL--
General information:
TITO was launched using:
RESULT:
Template:
2WXB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -225917 for 2075 contacts (-108.9/contact) +
2D Compatibility (PS) -26949 + (NN) -11785 + (LL) 300
1D Compatibility (HY) -16800 + (ID) 3950
Total energy: -285101.0 ( -137.40 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_2WXB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WXB-query.scw
PDB file :
Tito_Scwrl_2WXB.pdb
: