Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAVFASANGSNFQVIAE-------QFPVSFVFSDHRDAYVLERAQNLAIPSFAFELKEFENKAAYEQAVVDLLDKHEIDLVCLAGYMKIVGETLLSAYEGRIINIHPTYLPEFPGAHGIKDAWEAGVDQSGVTIHWVDSGVDTGQVIQQVHVPRLADDSLESFETRIHETEYQLYPAVLDSLGIKRK
1CDE Chain:B ((1-181))
MNIVVLISGNGSNLQAIIDACKTNKIKGTVRAVFSNKADAFGLERARQAGIATHTLIASAFDSREAYDRELIHEIDMYAPDVVVLAGFMRILSPAFVSHYAGRLLNIHPSLLPKYPGLHTHRQALENGDEEHGTSVHFVTDELDGGPVILQAKVPVFAGDSEDDITARVQTQEHAIYPLVISWFADGRL
General information:
TITO was launched using:
RESULT:
Template:
1CDE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134948 for 1362 contacts (-99.1/contact) +
2D Compatibility (PS) -19239 + (NN) -10981 + (LL) 0
1D Compatibility (HY) -14000 + (ID) 3300
Total energy: -182468.0 ( -133.97 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_1CDE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1CDE-query.scw
PDB file :
Tito_Scwrl_1CDE.pdb
: