Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: BCD_C_3(1G1Y) / Model_18(1G1Y/A) = [3.4]
| Download | 2425.88 | 1.97 | MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS |
Complex: SUGAR_C_3(1J0I) / Model_2(1J0I/A) = [3.5]
| Download | - | - | MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS |
Complex: MTT_C_3(1JIB) / Model_14(1JIB/A) = [3.6]
| Download | 1833.17 | 13.89 | MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS |
Complex: SUGAR_B_4(1VFU) / Model_37(1VFU/B) = [3.7]
| Download | - | - | MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS |
Complex: BCD_D_4(1G1Y) / Model_35(1G1Y/B) = [3.8]
| Download | 2403.51 | 11.90 | MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS |
Consensus [pKd Mean = 3.60] | - | 2220 (s=274) | 9 (s=5) | MEKAGIYHQPASSYAYSYDAKTLHIRIRTKRLDISKVTLIAADPYLWKDGKWQSESYTMRKIAETEEHDYWFFAITPEHRRLQYGFLLTDTEGETTFYGGRGFFEPTEANLATMDYYFKFPFIHAVDTFEAPEWVRNTIWYQIFPERFANGNPAISPENTLPWGSKDPNTTDFFGGDIEGIIEHLDYLAELGINGVYLTPVFEAPTNHKYDTIDYKKIDPHFGDKETFRKLVKEAHKRGIRIMLDAVFNHIGDTSPEWQDVVEKEEKSAYRDWFHIHSFPVRQNENGNIEGEPTLSYDTFAFTTHMPKLNTANPEVQKYLLDIATYWIREFDIDGWRLDVANEVDHAFWKEFKKAAQAEKEDIYILGEIWHDSWIWLLGDEFHAVMNYPFTQTIIENFIEEKITPEQMVSGINEQYMRYPNQVNEVMFNMLDSHDTARILTRANNDEDKVKQALAFMFAHTGSPCIYYGTEIGMDGGNDPGCRKCMEWDEAKQNQDMLAFTKQLIALRKDNQAIITSGELTWLEASSETGITAFSKELNGEKLHFLFNQTKKDQDFTISFANTAIDIWNNQAVSDNLTIPAKGFLVIKENS |