Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIITIFGPPGSGKGTQSSLLIERYNLKLISVGDLLRNIISSGSELGKKIKDTVESGNLIQDGVICELLYDQLALMD--DNFLFDGFPRNLNQAHFLTQILRERYNRDVDIVIELQLNDKVAIDRLKNRLVCLDCKSVYSTSSFKDDNNLVCTRCKSARLEKRIDDSDLSAIDRRIGEYHVQVKSLREYYRDKLL--MIDANLNVDQVKQEIESKISCSLV
2AK2 Chain:A ((21-229))
----LLGPPGAGKGTQAPKLAKNFCVCHLATGDMLRAMVASGSELGKKLKATMDAGKLVSDEMVLELIEKNLETPPCKNGFLLDGFPRTVRQAEMLDDLMEKRKEK-LDSVIEFSIPDSLLIRRITGRLIHPQSGRSYH-EEFNPPKEPMKDDITGEPLIRRSDDNK-KALKIRLEAYHTQTTPLVEYYSKRGIHSAIDASQTPDVVFASILAAFSKATS
General information:
TITO was launched using:
RESULT:
Template:
2AK2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76778 for 1453 contacts (-52.8/contact) +
2D Compatibility (PS) -22237 + (NN) -9436 + (LL) 820
1D Compatibility (HY) -13600 + (ID) 3600
Total energy: -124831.0 ( -85.91 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_2AK2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AK2-query.scw
PDB file :
Tito_Scwrl_2AK2.pdb
: