Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGANTSRKPPVFDENEDVNFDHFEILRAIGKGSFGKVCIVQK---NDTKKMYAMKYMNKQKCVERNEVRNVFKELQIMQGLEHPFLVNLWYSFQDEEDMFMVVDLLLGGDLRYHLQQNVHFKEETVKLFICELVMALDYLQNQRIIHRDMKPDNILLDEHGHVHITDFNIAA-MLPRETQITTMAGTKPYMAPEMFSSRKGAGYSFAVDWWSLGVTAYELLRGRRPYHIRSSTSSKEIVHTFETTVVTYPSAWSQEMVSLLKKLLEPNPDQRFSQ----LSDVQNFPYMNDINWDAVFQKRLIPGFIPNKGRLNCDPTFELEEMILESKPLHKKKKRLAKKEKDMRKCDSSQTCLLQEHLDSVQKEFIIFNREKVNRDFNKRQPNLALEQTKDPQGEDGQNNNL |
| 4GUE Chain:A ((15-305)) | ----------VKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRV---------LVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKE-----KKAYSFCGTVEYMAPEVVNRR---GHTQSADWWSFGVLMFEMLTGTLPFQ---GKDRKETMTMILKAKLGMPQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKP------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4GUE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -162748 for 2057 contacts (-79.1/contact) +
2D Compatibility (PS) -28759 + (NN) -10406 + (LL) 7292
1D Compatibility (HY) -26400 + (ID) 5100
Total energy: -226121.0 ( -109.93 by residue)
QMean score : 0.484
|
|
|