| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ACY_B_7(1TUY) / Model_22(1TUY/B) = [3.3]
| Download | 490.69 | 4.00 | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNIINDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLSGTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |
| Complex: C5P_A_4(4FWR) / Model_17(4FWR/A) = [3.9]
| Download | 1137.01 | 2.65 | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNIINDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLSGTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |
| Complex: ADP_B_5(1TUY) / Model_22(1TUY/B) = [4.6]
| Download | 1240.87 | -14.24 | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNIINDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLSGTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |
| Complex: AMP_F_6(1TUU) / Model_23(1TUU/B) = [4.9]
| Download | 1276.61 | -11.43 | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNIINDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLSGTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |
| Complex: AMP_A_3(4FWK) / Model_12(4FWK/A) = [5.4]
| Download | 1340.80 | 4.32 | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNIINDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLSGTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |
Consensus
[pKd Mean = 4.42] | - | 1097
(s=310) | -2
(s=8) | MSKLILAINAGSSSLKFQLIRMPEEELVTKGLIERIGLKDSIFTIEVNGEKVKTVQDIKDHVEAVDIMLDAFKAHNIINDINDIDGTGHRVVHGGEKFPESVAITDEVEKEIEELSELAPLHNPANLMGIRAFRKLLPNIPHVAIFDTAFHQTMPEKAYLYSLPYHYYKDYGIRKYGFHGTSHKFVSQRAAEMLDKPIEDLRIISCHIGNGASIAAIDGGKSIDTSMGFTPLAGVTMGTRSGNIDPALIPFIMEKTGKTAEQVLEILNKESGLLGLSGTSSDLRDLSEEAESGKARSQMALDVFASKIHKYIGSYAARMHGVDVIVFTAGIGENSVEIRAKVLEGLEFMGVYWDPKKNENLLRGKEGFINYPHSPVKVVVIPTDEESMIARDVMTFGGLK |