Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGQHFIVTGGTSGLGLSIVRKLLENKVHVTLLVRDVDKATRIFEQELGKTINVIPCDLNDLKSIQAL---QFEDNTSFDGFIYSAGL---GYFKSISDHSFSEMIETYQLNLIS-FNVLYTVLRPYLTS-NAHIVGISSQAAFSTQANAAHYGASKAGFYALMNALRLE--SPNLHIMTVNVGPIDTPFHQKADPSMKYAKKMGEIMLDANQLAEDIIYGIKTKQLEINRPKWMHHALKMYQIAPRFFERCFPKLFKNKA
3ENN Chain:A ((4-216))
LTGRKALVTGATGGLGEAIARALHAQGAIVGLHGTREEK-LKELAAELGERIFVFPANLSDREAVKALGQKAEEEMGGVDILVNNAGITRDGLFVRMSDEDWDAVL---TVNLTSVFNLTRELTHPMMRRRNGRIINITSIVGVTGNPGQANYCASKAGLIGFSKSLAQEIASRNVTVNCIAPGFIES--------KQKDA-IMGNIPMKRMGVGADI-------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3ENN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147523 for 1560 contacts (-94.6/contact) +
2D Compatibility (PS) -21376 + (NN) -9472 + (LL) 4304
1D Compatibility (HY) -10800 + (ID) 3100
Total energy: -187967.0 ( -120.49 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3ENN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ENN-query.scw
PDB file :
Tito_Scwrl_3ENN.pdb
: