Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIKRRTQEERSAATREALITGARKLWGLRGYAEVGTPEIATEAGVTRGAMYHQFADKAALFRDVVEVVEQDVMARMATLVAASGAATPADAIRAAVDAWLEVSGDPEVRQL---ILLDAPVVLGWAGFRDVAQRY----SLGMTEQLITEAIRAGQLARQPVRPLAQVL----IGALDEAAMFIATADDPKRARRETRQVLRRLIDGMLNG
3BCG Chain:A ((6-198))
-------KQE-AQETRQHILDVALRLFSQQGVSSTSLGEIAKAAGVTRGAIYWHFKDKSDLFSEIWELSESNI-GELELEYQAKFPGDPLSVLREILIHVLESTVTEERRRLLMEIIFHKCEFVGEMAVVQQAQRNLCLESYDRIEQTLKHCIEAKMLPADLMTRRAAIIMRGYISGLMENWLFAPQSFDLKKEARDYVAIL----------
General information:
TITO was launched using:
RESULT:
Template:
3BCG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47804 for 1207 contacts (-39.6/contact) +
2D Compatibility (PS) -19567 + (NN) -7635 + (LL) 1604
1D Compatibility (HY) -11200 + (ID) 2600
Total energy: -87202.0 ( -72.25 by residue)
QMean score : 0.272
(partial model without unconserved sides chains):
PDB file :
Tito_3BCG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BCG-query.scw
PDB file :
Tito_Scwrl_3BCG.pdb
: