| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: THR_A_4(3S1T) / Model_15(3S1T/A) = [3.1]
| Download | 3031.97 | 26.90 | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQMDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
| Complex: THR_D_4(2DTJ) / Model_108(2DTJ/A) = [3.7]
| Download | 2903.10 | 29.51 | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQMDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
| Complex: THR_D_8(3AAW) / Model_23(3AAW/C) = [3.9]
| Download | 8220.78 | 26.36 | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQMDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
| Complex: THR_C_10(3AAW) / Model_46(3AAW/D) = [3.9]
| Download | 4000.30 | 30.41 | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQMDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
| Complex: THR_A_6(3AAW) / Model_47(3AAW/B) = [4.0]
| Download | 3581.84 | 31.22 | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQMDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |
Consensus
[pKd Mean = 3.72] | - | 4347
(s=1976) | 28
(s=2) | MLIVQKYGGTSMGSIERIHNVAQRVLESVKLGHQVVVVVSAMSGETDRLLEFGKNFSHNPNKREMDRIVSAGEWISSAALSMALERYGHRAISLSGKEAGILTSSHFQNAVIQSIDTQRITELLEKNYIVVIAGFQGADIQGETTTLGRGGSDLSAVALAGALKAHLCEIYTDVDGVYTTDPRIEEKAQKIAQISYDEMLELASMGAKVLLNRSVELAKKLSVKLVTRNSFNHSEGTLIVAEKDFKGERMETPIVSGIALDKNQARVSMEGVEDRPGIAAEIFGALAEYRINVDMIVQTIGRDGKTDLDFTIVKTQIEETKQALKPFLAQMDSIDYDENIAKVSIVGVGMKSHSGVASIAFKALAKDNINIMMISTSEIKISVLIDIKYAELAVRTLHAVYQLDQ |