Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNII-IE--GINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSME---RALVNLGIELDYVLVDGNQPPKVKW------------QVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL
2DFF Chain:A ((3-201))
---------------IAGIDEAGRGPVIGPMVIAAVVVDENSLPKLEELKVRDSKKLTPKRREKLFNEILGVLDDYVILELPPDVIGSREGTLNEFEVENFAKALNSLKVKPDVIYADAADVDEERFARELGERLNFEAEVVAKHKADDIFPVVSAASILAKVTRDRAVEKLKEEYGEI----GSGYPSDPRTRAFLENYYREHG--EFPPIVRKGWKTLK
General information:
TITO was launched using:
RESULT:
Template:
2DFF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69553 for 1411 contacts (-49.3/contact) +
2D Compatibility (PS) -19939 + (NN) -11652 + (LL) 1240
1D Compatibility (HY) -10800 + (ID) 2900
Total energy: -113604.0 ( -80.51 by residue)
QMean score : 0.333
(partial model without unconserved sides chains):
PDB file :
Tito_2DFF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DFF-query.scw
PDB file :
Tito_Scwrl_2DFF.pdb
: