Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRVAGQVNSRRGELLELAAAMFAERGLRATTVRDIADGAGILSGSLYHHFASKEEMVDELLRGFLDWLFARYRDIVDSTANPLERLQGLFMASFEAIEHHHAQVVIYQDEAQRLASQPRFSYIEDRNKQQRKMWVDVLNQGIEEGYFRPDLDVDLVYRFIRDTTWVSVR-WYRPGGPLTAQQVGQQYLAIVLGGITKEGV
3PAS Chain:A ((2-192))
---MRQRDDSKRIAFLEATVREVADHGFSATSVGKIAKAAGLSPATLYIYYEDKEQLLLATFYYVSDQVIDAALDSFSRGKDLREGLRRQWHTLFRIGLERPELFRYHETFTHS-AW--MTPEIQARNESRAANLLNAVDQGKQSGLIKP-VPFPLLETFMFRPIYHLVQRCLQGSF-EGTDEHIELAFNMAWDAVADR--
General information:
TITO was launched using:
RESULT:
Template:
3PAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96469 for 1357 contacts (-71.1/contact) +
2D Compatibility (PS) -20098 + (NN) -7468 + (LL) 192
1D Compatibility (HY) -6800 + (ID) 1650
Total energy: -132293.0 ( -97.49 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_3PAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PAS-query.scw
PDB file :
Tito_Scwrl_3PAS.pdb
: