Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIITIFGPPGSGKGTQSSLLIERYNLKLISVGDLLRNIISSGSELGKKIKDTVESGNLIQDGVICELLYDQLALMD--DNFLFDGFPRNLNQAHFLTQILRERYNRDVDIVIELQLNDKVAIDRLKNRLVCLDCKSVYSTSSFKDDNNLVCTRCKSARLEKRIDDSDLSAIDRRIGEYHVQVKSLREYYRDKLL--MIDANLNVDQVKQEIESKISCSLV
1AK2 Chain:A ((21-229))
----LLGPPGAGKGTQAPKLAKNFCVCHLATGDMLRAMVASGSELGKKLKATMDAGKLVSDEMVLELIEKNLETPPCKNGFLLDGFPRTVRQAEMLDDLMEKRKEK-LDSVIEFSIPDSLLIRRITGRLIHPQSGRSYH-EEFNPPKEPMKDDITGEPLIRRSDDNK-KALKIRLEAYHTQTTPLVEYYSKRGIHSAIDASQTPDVVFASILAAFSKATS
General information:
TITO was launched using:
RESULT:
Template:
1AK2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76671 for 1423 contacts (-53.9/contact) +
2D Compatibility (PS) -22191 + (NN) -8985 + (LL) 820
1D Compatibility (HY) -13600 + (ID) 3600
Total energy: -124227.0 ( -87.30 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_1AK2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AK2-query.scw
PDB file :
Tito_Scwrl_1AK2.pdb
: