Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTTRTERNFAGIGDVRIVYDVWTPDTAPQAVVVLAHGLGEHARRYDHVAQRLGAAGLVTYALDHRGHGRSGGKRVLVRDISEYTADFDTLVGIATREYPGCKRIVLGHSMGGGIVFAYGVERPDNYDLMVLSAPAVAAQDLVSPVVAVAAKLLGVVVPGLPVQELDFTAISRDPEVVQAYNTDPLVHHGRVPAGIGRALLQVGETMPRRAPALTAPLLVLHGTDDRLIPIEGSRRLVECVGSADVQLKEYPGLYHEVFNE-PE-RNQVLDDVVAWLTERL
3JWE Chain:A ((52-310))
----------------------WKPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLA------------------LPNLSLGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQR-
General information:
TITO was launched using:
RESULT:
Template:
3JWE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161417 for 1983 contacts (-81.4/contact) +
2D Compatibility (PS) -25146 + (NN) -8961 + (LL) 3652
1D Compatibility (HY) -18800 + (ID) 4500
Total energy: -215172.0 ( -108.51 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_3JWE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JWE-query.scw
PDB file :
Tito_Scwrl_3JWE.pdb
: