Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSY----FRNYWYRFGAILFI----ILAVILLVFRPDWSMLHYLLYFNFMALLAHQFEEYQFPGGASPIINYVVYDEEELMDRFPGNTQSIMLVNTIAWLLYIASIAFPQAYWLGLGVMFFSLTQLLGHGFQMNIKLKTWYNPGLATTVFLL-------VPIACAYIYQASAEGMLTWGDWLGGFIMLIVCVLTSIIAPVQLLKDKKTNYIISPWQMDRFHKVINFVRIKK-
4AO6 Chain:A ((5-247))
MSWNGKDERKLSVQERGFSLEVDGRTVPGVYWSPAEGSSDRLVLLGHEYIEQVAKLLVGRGISAMAIDGPGTDVVGLDAFPRMWHEGGGTAAVIADWAAALDFIEAEEGPR---PTGWWGLSMGTMMGLPVTAS-------DKRIKVALLGLMGVEGVNGEDLVRLAPQVTCPVRYLLQWDDELVSLQSGLELFGKLGTKQKTLHVNPGKHSAVPTWEMFAGTVDYLDQRLK
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) -227898 for 1707 contacts (-133.5/contact) +
2D Compatibility (PS) -21633 + (NN) -5288 + (LL) 1232
1D Compatibility (HY) 800 + (ID) 950
Total energy: -253737.0 ( -148.64 by residue)
QMean score : 0.172
(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
: