| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ADP_A_3(4BIX) / Model_13(4BIX/A) = [5.1]
| Download | 1201.41 | 25.07 | MNKYRVRLFSVFVVCMILVFCVLGLFLQQLFETSDQRKAEEHIEKEAKYLASLLDAGNLNNQANEKIIKDAGGALDVSASVIDTDGKVLYGSNGRSADSQKVQALVSGHEGILSTTDNKLYYGLSLRSEGEKTGYVLLSASEKSDGLKGELWGMLTASLCTAFIVIVYFYSSMTSRYKRSIESATNVATELSKGNYDARTYGGYIRRSDKLGHAMNSLAIDLMEMTRTQEMQRDRLLTVIENIGSGLIMIDGRGFINLVNRSYAKQFHINPNHMLRRLYHDAFEHEEVIQLVEDIFMTETKKCKLLRLPIKIERRYFEVDGVPIMGPDDEWKGIVLVFHDMTETKKLEQMRKDFVANVSHELKTPITSIKGFTETLLDGAMEDKEALSEFLSIILKESERLQSLVQDLLDLSKIEQQNFTLSIETFEPAKMLGEIETLLKHKADEKGISLHLNVPKDPQYVSGDPYRLKQVFLNLVNNALTYTPEGGSVAINVKPREKDIQIEVADSGIGIQKEEIPRIFERFYRVDKDRSRNSGGTGLGLAIVKHLIEAHEGKIDVTSELGRGTVFTVTLKRAAEKSA |
| Complex: ADP_A_3(4BIX) / Model_60(4BIX/A) = [5.4]
| Download | 1187.97 | 23.00 | MNKYRVRLFSVFVVCMILVFCVLGLFLQQLFETSDQRKAEEHIEKEAKYLASLLDAGNLNNQANEKIIKDAGGALDVSASVIDTDGKVLYGSNGRSADSQKVQALVSGHEGILSTTDNKLYYGLSLRSEGEKTGYVLLSASEKSDGLKGELWGMLTASLCTAFIVIVYFYSSMTSRYKRSIESATNVATELSKGNYDARTYGGYIRRSDKLGHAMNSLAIDLMEMTRTQEMQRDRLLTVIENIGSGLIMIDGRGFINLVNRSYAKQFHINPNHMLRRLYHDAFEHEEVIQLVEDIFMTETKKCKLLRLPIKIERRYFEVDGVPIMGPDDEWKGIVLVFHDMTETKKLEQMRKDFVANVSHELKTPITSIKGFTETLLDGAMEDKEALSEFLSIILKESERLQSLVQDLLDLSKIEQQNFTLSIETFEPAKMLGEIETLLKHKADEKGISLHLNVPKDPQYVSGDPYRLKQVFLNLVNNALTYTPEGGSVAINVKPREKDIQIEVADSGIGIQKEEIPRIFERFYRVDKDRSRNSGGTGLGLAIVKHLIEAHEGKIDVTSELGRGTVFTVTLKRAAEKSA |
| Complex: ADP_C_8(4BIY) / Model_29(4BIY/C) = [5.8]
| Download | 989.00 | 23.68 | MNKYRVRLFSVFVVCMILVFCVLGLFLQQLFETSDQRKAEEHIEKEAKYLASLLDAGNLNNQANEKIIKDAGGALDVSASVIDTDGKVLYGSNGRSADSQKVQALVSGHEGILSTTDNKLYYGLSLRSEGEKTGYVLLSASEKSDGLKGELWGMLTASLCTAFIVIVYFYSSMTSRYKRSIESATNVATELSKGNYDARTYGGYIRRSDKLGHAMNSLAIDLMEMTRTQEMQRDRLLTVIENIGSGLIMIDGRGFINLVNRSYAKQFHINPNHMLRRLYHDAFEHEEVIQLVEDIFMTETKKCKLLRLPIKIERRYFEVDGVPIMGPDDEWKGIVLVFHDMTETKKLEQMRKDFVANVSHELKTPITSIKGFTETLLDGAMEDKEALSEFLSIILKESERLQSLVQDLLDLSKIEQQNFTLSIETFEPAKMLGEIETLLKHKADEKGISLHLNVPKDPQYVSGDPYRLKQVFLNLVNNALTYTPEGGSVAINVKPREKDIQIEVADSGIGIQKEEIPRIFERFYRVDKDRSRNSGGTGLGLAIVKHLIEAHEGKIDVTSELGRGTVFTVTLKRAAEKSA |
| Complex: ADP_A_5(4BIY) / Model_14(4BIY/A) = [6.1]
| Download | 1271.15 | 29.38 | MNKYRVRLFSVFVVCMILVFCVLGLFLQQLFETSDQRKAEEHIEKEAKYLASLLDAGNLNNQANEKIIKDAGGALDVSASVIDTDGKVLYGSNGRSADSQKVQALVSGHEGILSTTDNKLYYGLSLRSEGEKTGYVLLSASEKSDGLKGELWGMLTASLCTAFIVIVYFYSSMTSRYKRSIESATNVATELSKGNYDARTYGGYIRRSDKLGHAMNSLAIDLMEMTRTQEMQRDRLLTVIENIGSGLIMIDGRGFINLVNRSYAKQFHINPNHMLRRLYHDAFEHEEVIQLVEDIFMTETKKCKLLRLPIKIERRYFEVDGVPIMGPDDEWKGIVLVFHDMTETKKLEQMRKDFVANVSHELKTPITSIKGFTETLLDGAMEDKEALSEFLSIILKESERLQSLVQDLLDLSKIEQQNFTLSIETFEPAKMLGEIETLLKHKADEKGISLHLNVPKDPQYVSGDPYRLKQVFLNLVNNALTYTPEGGSVAINVKPREKDIQIEVADSGIGIQKEEIPRIFERFYRVDKDRSRNSGGTGLGLAIVKHLIEAHEGKIDVTSELGRGTVFTVTLKRAAEKSA |
| Complex: ATP_A_4(3SL2) / Model_78(3SL2/A) = [7.8]
| Download | 1222.45 | 19.54 | MNKYRVRLFSVFVVCMILVFCVLGLFLQQLFETSDQRKAEEHIEKEAKYLASLLDAGNLNNQANEKIIKDAGGALDVSASVIDTDGKVLYGSNGRSADSQKVQALVSGHEGILSTTDNKLYYGLSLRSEGEKTGYVLLSASEKSDGLKGELWGMLTASLCTAFIVIVYFYSSMTSRYKRSIESATNVATELSKGNYDARTYGGYIRRSDKLGHAMNSLAIDLMEMTRTQEMQRDRLLTVIENIGSGLIMIDGRGFINLVNRSYAKQFHINPNHMLRRLYHDAFEHEEVIQLVEDIFMTETKKCKLLRLPIKIERRYFEVDGVPIMGPDDEWKGIVLVFHDMTETKKLEQMRKDFVANVSHELKTPITSIKGFTETLLDGAMEDKEALSEFLSIILKESERLQSLVQDLLDLSKIEQQNFTLSIETFEPAKMLGEIETLLKHKADEKGISLHLNVPKDPQYVSGDPYRLKQVFLNLVNNALTYTPEGGSVAINVKPREKDIQIEVADSGIGIQKEEIPRIFERFYRVDKDRSRNSGGTGLGLAIVKHLIEAHEGKIDVTSELGRGTVFTVTLKRAAEKSA |
Consensus
[pKd Mean = 6.04] | - | 1174
(s=96) | 24
(s=3) | MNKYRVRLFSVFVVCMILVFCVLGLFLQQLFETSDQRKAEEHIEKEAKYLASLLDAGNLNNQANEKIIKDAGGALDVSASVIDTDGKVLYGSNGRSADSQKVQALVSGHEGILSTTDNKLYYGLSLRSEGEKTGYVLLSASEKSDGLKGELWGMLTASLCTAFIVIVYFYSSMTSRYKRSIESATNVATELSKGNYDARTYGGYIRRSDKLGHAMNSLAIDLMEMTRTQEMQRDRLLTVIENIGSGLIMIDGRGFINLVNRSYAKQFHINPNHMLRRLYHDAFEHEEVIQLVEDIFMTETKKCKLLRLPIKIERRYFEVDGVPIMGPDDEWKGIVLVFHDMTETKKLEQMRKDFVANVSHELKTPITSIKGFTETLLDGAMEDKEALSEFLSIILKESERLQSLVQDLLDLSKIEQQNFTLSIETFEPAKMLGEIETLLKHKADEKGISLHLNVPKDPQYVSGDPYRLKQVFLNLVNNALTYTPEGGSVAINVKPREKDIQIEVADSGIGIQKEEIPRIFERFYRVDKDRSRNSGGTGLGLAIVKHLIEAHEGKIDVTSELGRGTVFTVTLKRAAEKSA |