Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRVAGQVNSRRGELLELAAAMFAERGLRATTVRDIADGAGILSGSLYHHFASKEEMVDELLRGFLDWLFARYRDIVDSTANPLERLQGLFMASFEAIEHHHAQVVIYQDEAQRLASQPRFSYIEDRNKQQRKMWVDVLNQGIEEGYFRPDLDVDLVYRFI------RDTTWVSVRWYRPGGPLTAQQVGQQYLAIVLGGITKEGV
3WHB Chain:A ((10-168))
-------------QIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNKEDILISLFKEKMGQFIERMEEDIKEKATAKEKLALVISKHFSLLAGDHNLAIVTQLELRQSNLELR-QKINEILKGYLNILDGILTEGIQSGEIKEGLDVRLARQMIFGTIDETVTTWV---------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3WHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82478 for 1059 contacts (-77.9/contact) +
2D Compatibility (PS) -16360 + (NN) -7740 + (LL) 2704
1D Compatibility (HY) -10400 + (ID) 1950
Total energy: -116224.0 ( -109.75 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_3WHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WHB-query.scw
PDB file :
Tito_Scwrl_3WHB.pdb
: