Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKLLTLFIVSMLILTACGKKESATTSSKNGKPLVVIYGDYKCPYCKELDEKVM-PKLRKNYIDNHKVEYQFVNLAFLGKDSIVGSRASHAVLMYAPKSFLDFQKQL-F-AAQQDENKEWLTKELLDKHIKQLHLDKETENKIIKDYKTK-DSKSWKAAEKDK-KIAKDNHIKTTPTAFINGEKVEDPYDYESYEKLLKDKIK--
3GYK Chain:A ((2-175))
-NANRDSLF----------NDPNAPVLGNPEGDVTVVEFFDYNCPYCRR-----AMAEVQGLVDADPNVRLVYREWPILGEGSDFAARAALAARQQ--GKYEAFHWALMGMSGK-------ANETGVLRIAREVGLD-------TEQLQRDMEAPEVTAHIAQSMALAQKLGFNGTPSFVVEDALVPGFVEQSQLQDAVDRARKAA
General information:
TITO was launched using:
RESULT:
Template:
3GYK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24805 for 1319 contacts (-18.8/contact) +
2D Compatibility (PS) -17827 + (NN) -6525 + (LL) 2960
1D Compatibility (HY) -5200 + (ID) 1400
Total energy: -52797.0 ( -40.03 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_3GYK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GYK-query.scw
PDB file :
Tito_Scwrl_3GYK.pdb
: