Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRSYRPAPPIERVVLLNDRGDATGVADKATVHTGDTPLHLAFSSYVFDLHDQLLITRRAATKRTWPAVWTNSCCGHPLPGESLPGAIRRRLAAELGLTPDRVDLILPGFRYRAAMADGTVENEICPVYRVQVDQQPRPNSDEVDAIRWLSWEQFVRDVTAGVIA---PVSPWCRSQLGYLTKLGPCPAQWPVADDCRLPKAAHGN
2B2K Chain:B ((4-165))
-----------EHVILLNAQGVPTGTLEKYAAHTADTRLHLAFSSWLFNAKGQLLVTRRALSKKAWPGVWTNSVCGHPQLGESNEDAVIRRCRYELGVEITPPESIYPDFRFRATDPSGIVENEVCPVFAARTTSALQINDDEVMDYQWCD----LADVLHGIDATPWAFSPWMVMQ-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
2B2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62296 for 1230 contacts (-50.6/contact) +
2D Compatibility (PS) -17278 + (NN) -7602 + (LL) 1932
1D Compatibility (HY) -12000 + (ID) 3800
Total energy: -101044.0 ( -82.15 by residue)
QMean score : 0.343
(partial model without unconserved sides chains):
PDB file :
Tito_2B2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B2K-query.scw
PDB file :
Tito_Scwrl_2B2K.pdb
: