Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLDYLRDAAEIYRRSFAVIRAEADLARFPADVARVVVRLIHTCGQVDVAEHVAYTDDVVARAGAALAAGAPVLCDSSMVAAGITTSRLPADNQIVSLVADPRATELAARRQTTRSAAGVELCAERLPGAVLAIGNAPTALFRLLELVDEGAP-PPAAVLGGPVGFVGSAQAKEELIERPRGMSYLVVRGRRGGSAMAAAAVNAIASDRE
4AU1 Chain:A ((22-229))
PHEYEKDGAKIYVQSFATIRAEADLARFTPEEEVVVVRMIHAAGMVGLENHVRFAPGMAIAARAALEAGAPILCDARMVSEGITRARLPAKNEVICTLQDPRVPALAQEMGNTRSAAALELWRPKLEGAVVAIGNAPTALFHLLNMLEDPACPRPAAIIGCPVGFIGAAESKAALAVA-NPVPWVIVEGRLGGSAITVAAVNALACRKE
General information:
TITO was launched using:
RESULT:
Template:
4AU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157387 for 1781 contacts (-88.4/contact) +
2D Compatibility (PS) -23111 + (NN) -12251 + (LL) -140
1D Compatibility (HY) -18800 + (ID) 5200
Total energy: -216889.0 ( -121.78 by residue)
QMean score : 0.720
(partial model without unconserved sides chains):
PDB file :
Tito_4AU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AU1-query.scw
PDB file :
Tito_Scwrl_4AU1.pdb
: