Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRSYRPAPPIERVVLLNDRGDATGVADKATVHTGDTPLHLAFSSYVFDLHDQLLITRRAATKRTWPAVWTNSCCGHPLPGESLPGAIRRRLAAELGLTPDRVDLILPGFRYRAAMADGTVENEICPVYRVQVDQQPRPNSDEVDAIRWLSWEQFVRDVTAGVIA---PVSPWCRSQLGYLTKLGPCPAQWPVADDCRLPKAAHGN
1NFS Chain:B ((4-165))
-----------EHVILLNAQGVPTGTLEKYAAHTADTRLHLAFSSWLFNAKGQLLVTRRALSKKAWPGVWTNSVCGHPQLGESNEDAVIRRCRYELGVEITPPESIYPDFRYRATDPSGIVENEVCPVFAARTTSALQINDDEVMDYQWCD----LADVLHGIDATPWAFSPWMVMQ-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NFS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64584 for 1237 contacts (-52.2/contact) +
2D Compatibility (PS) -17197 + (NN) -7874 + (LL) 1932
1D Compatibility (HY) -12000 + (ID) 3850
Total energy: -103573.0 ( -83.73 by residue)
QMean score : 0.354
(partial model without unconserved sides chains):
PDB file :
Tito_1NFS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NFS-query.scw
PDB file :
Tito_Scwrl_1NFS.pdb
: