| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: PLP_A_5(1ZOD) / Model_10(1ZOD/A) = [3.1]
| Download | 737.95 | 20.30 | MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR |
| Complex: 7F7_A_2(5M4B) / Model_51(5M4B/A) = [3.1]
| Download | 1006.20 | 22.73 | MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR |
| Complex: 5PA_A_4(1D7R) / Model_13(1D7R/A) = [3.1]
| Download | 976.63 | 16.79 | MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR |
| Complex: ELP_A_4(1M0P) / Model_6(1M0P/A) = [3.2]
| Download | 1596.96 | 20.61 | MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR |
| Complex: PLP_A_4(1ZOB) / Model_9(1ZOB/A) = [3.2]
| Download | 681.62 | 20.30 | MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR |
Consensus
[pKd Mean = 3.14] | - | 999
(s=324) | 20
(s=1) | MHSRPQISPERAAQLAAEWFEGQLDAPAELDSYADRNFLVRAPDGTKAVLKVPNVELAEDIDLQIAILKWLEARPSAPLVPRVLGPTRTIEDDAGRPTRAWMVGWIEGELWFDASPTPALREELGAALGQLARDLEDFRHPGMERHFAWNLAEANWIAEELHRFEDPARAELVCDALMQFQGRVLPRLAELPTQVIHGDANDKNLAVAEGRLVGVFDFGDACWCPAVCDLAIALAYAAMDLRLGCALPEVAAACAQVCAGYHGRRPLTALELDLLYDLLRARLAVSVTSSTRAREAEPDNAYVSASEQGAWSVLEALGAVGRRAFTATVAEACGLALAPRVPGARTGDELLAARRRRLGPSLSLSYASSGMPLYIRRGEGSWLFDEHDQAFLDCVNNVCHVGHCHPRVVEAGAAQMARLNTNTRYLHEGLVDYAEALCATLPAPLEVVYLVNSGSEANELALRLARDYTGGFDVAVLDAAYHGNTGNLVDMSPYKFDAPGGRGRREWVHVLPTPDPYRGAHGDDGPAYAAALDAADAAARGRGSRLAALFCESVLGCAGQVVPASGFLAAAYARARAAGAVCIADEVQVGFGRVGDGMWAFEAEGVVPDILTLGKPIGNGHPLGAVVTTRAIAEALGGGRMEFFCTFGGNPVSAAVGAAVLAVIEDEGLVANARDTGSWLRGAFEQLAADPVLGRGIGEVRGRGLFIGVELVEDRSTKRPDAARASAIVAHARARGVLLSTDGPARNVIKIKPPICFADVEARILASTLARALSATMR |