Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPRYALITGASSGIGLALAEALARRGRALILVARQRDALESIAYELAQRFGVEVLFRTCDLSEPLQLSGLLHELEQGERQIDLLVNNAGIGTSGPFIDQEWAREQELIELNILALARLCHSLGARMAAQGGGQILNIASVAAFQPGAWMSNYYASKAYVLHFSEGLREELKERGVKVSVLCPGPTRTAFFREAGMRL--------G----R----LDRSKLMMTPEEVALLALRGLDKNRALIVPGWRNRLLALSPRLAPRWLVRRLAARINASAVPSAPRG
3AI3 Chain:A ((6-243))
SGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQFYWELLVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVADEHAPIKRFASPEELANFFVFLCSERATYSVGSAYFVDGGMLKTL------------------------
General information:
TITO was launched using:
RESULT:
Template:
3AI3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135487 for 1860 contacts (-72.8/contact) +
2D Compatibility (PS) -24446 + (NN) -16231 + (LL) 1740
1D Compatibility (HY) -14800 + (ID) 3700
Total energy: -192924.0 ( -103.72 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_3AI3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AI3-query.scw
PDB file :
Tito_Scwrl_3AI3.pdb
: