Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------------------MKGMFLSSFYATRKQTYIYFIVAIIAAGYFAVFNPLMSSAMAGVMLITPITDNIKHEKDSRWMYYVSTLPVKRSDYIKSYFAFYLIL-FGASLMIGLVVTTIVTQSVMIGIMSGLMSFGIIGAYSIIFPLTFKFGAENSNVIMIVASILLLFSFVVFFFIYGM---VSGASALEFEK-ISTEGWLVVIVYAVIGIVITSVSYILSIKIFNKQEL
4AO6 Chain:A ((5-247))
MSWNGKDERKLSVQERGFSLEVDGRTVPGVYWSPAEGSSDRLVLLGHEYIEQVAKLLVGRGISAMAIDGPGTDVVGLDAFPRMWHEGGGTAAVIADWAAALDFIEAEEGPRPTGWWGLS-------------MGTMMGLPVTASDKRIKVALLGLMGVEGVNGEDLVRLAPQVTCPVRYLLQWDDELVSLQSGLELFGKLGTKQKTLHVNPGKHSAVPTWEMFAGTVDYLDQRLK
General information:
TITO was launched using:
RESULT:
Template:
4AO6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -251620 for 1655 contacts (-152.0/contact) +
2D Compatibility (PS) -20749 + (NN) 588 + (LL) 1472
1D Compatibility (HY) 2000 + (ID) 1200
Total energy: -269509.0 ( -162.85 by residue)
QMean score : 0.276
(partial model without unconserved sides chains):
PDB file :
Tito_4AO6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AO6-query.scw
PDB file :
Tito_Scwrl_4AO6.pdb
: