Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAVFASANGSNFQVIAEQFPVSFVFSDHRDAYVLERAQNLAIPSFAFELKEFENKAAYEQAVVDLLDKHEIDLVCLAGYMKIVGETLLSAYEGRIINIHPTYLPEFPGAHGIKDAWEAGVDQSGVTIHWVDSGVDTGQVIQQVHVPRLADDSLESFETRIHETEYQLYPAVLDSLGIKRK
4S1N Chain:A ((6-181))
-KIAVFASGNGSNFQVIAEEFPVEFVFSDHRDAYVLERAKQLGVLSYAFELKEFESKADYEAALVELLEEHQIDLVCLAGYMKIVGPTLLSAYEGRIVNIHPAYLPEFPGAHGIEDAWNAGVGQSGVTIHWVDSGVDTGQVIKQVRVPRLADDTIDRFEARIHEAEYRLYPEVVKALFT---
General information:
TITO was launched using:
RESULT:
Template:
4S1N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137825 for 1378 contacts (-100.0/contact) +
2D Compatibility (PS) -19338 + (NN) -8880 + (LL) 304
1D Compatibility (HY) -26000 + (ID) 7000
Total energy: -198739.0 ( -144.22 by residue)
QMean score : 0.636
(partial model without unconserved sides chains):
PDB file :
Tito_4S1N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S1N-query.scw
PDB file :
Tito_Scwrl_4S1N.pdb
: