Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEPLTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQA
1S17 Chain:A ((14-179))
-AILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEPLTEEMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQ-
General information:
TITO was launched using:
RESULT:
Template:
1S17.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70327 for 1291 contacts (-54.5/contact) +
2D Compatibility (PS) -17582 + (NN) -2790 + (LL) 352
1D Compatibility (HY) -23600 + (ID) 8250
Total energy: -122197.0 ( -94.65 by residue)
QMean score : 0.741
(partial model without unconserved sides chains):
PDB file :
Tito_1S17.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S17-query.scw
PDB file :
Tito_Scwrl_1S17.pdb
: