| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_B_7(1NVA) / Model_34(1NVA/B) = [3.5]
| Download | 1353.16 | 19.24 | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |
| Complex: ADP_B_12(1NVF) / Model_28(1NVF/B) = [3.5]
| Download | 1187.39 | 20.15 | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |
| Complex: ADP_A_11(1NVF) / Model_13(1NVF/A) = [3.7]
| Download | 1002.31 | 23.90 | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |
| Complex: ADP_C_13(1NVF) / Model_27(1NVF/C) = [3.7]
| Download | 1133.49 | 23.90 | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |
| Complex: ADP_A_6(1NVA) / Model_9(1NVA/A) = [3.8]
| Download | 1028.82 | 22.53 | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |
Consensus
[pKd Mean = 3.64] | - | 1141
(s=125) | 21
(s=2) | MQEILIPLKEKSYKVFLGELPEIKLKQKALIISDSIVAGLHLPYLLERLNALEVRVCVIESGEKYKNFHSLERILNNAFEMQLNRHSLMIALGGGVISDMVGFASSIYFRGIDFINIPTTLLAQVDASVGGKTGINTPYGKNLIGSFHQPKAVYMDLAFLKTLEKREFQAGVAEIIKMAVCFDKNLVERLETKDLKDCLEEVIFQSVNIKAQVVVQDEKERNIRAGLNYGHTFGMLIENETNYERFLHGEAIAIGMRMANDLALSLGMLTLKEYERIENLLKKFDLIFNYQITDIQKFYERLFLDKKSENQTLKFILPKGVGAFEIASHIPKETILKVLEKWH |