| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: L22_B_5(2W70) / Model_33(2W70/B) = [3.3]
| Download | 596.50 | 28.00 | MIKKVLVANRGEIAVRIIRAAKELGVETVAIYSEADREALHIQLADEAYCVGPAATKDSYLNMSNIISLAVLTNCDAIHPGYGFLAENADFAELCEDCNITFIGPSASAISQMGTKDVARETMRKAGVPIVPGSQGIVADVEDGKKIAKKIGYPVIIKATAGGGGKGIRVAENEEKLISGIHTTQQEAEAAFGDPGVYLEKYIQDFRHVEIQVLADNHGNVIHLGERDCSIQRRLQKLIEESPSPAIDEKTRQKMGKAAVKAAKAVNYSGAGTIEFIYDHHENNFYFMEMNTRIQVEHPVTELVTGIDLVKQQFLVASGEELQIKQADVKLTGWAMECRINAENPEKNFMPAPGEIKFYLPPGGLGVRIDSAAYPNYKIPPYYDSMIAKVICYAETREEVIQKMKRALSEFAIDGIPSTIPFHLRVLDNDVFLSGDFNTKFLEQNDVMNLSKEG |
| Complex: OA4_A_3(2W6P) / Model_20(2W6P/A) = [3.4]
| Download | 605.55 | 14.92 | MIKKVLVANRGEIAVRIIRAAKELGVETVAIYSEADREALHIQLADEAYCVGPAATKDSYLNMSNIISLAVLTNCDAIHPGYGFLAENADFAELCEDCNITFIGPSASAISQMGTKDVARETMRKAGVPIVPGSQGIVADVEDGKKIAKKIGYPVIIKATAGGGGKGIRVAENEEKLISGIHTTQQEAEAAFGDPGVYLEKYIQDFRHVEIQVLADNHGNVIHLGERDCSIQRRLQKLIEESPSPAIDEKTRQKMGKAAVKAAKAVNYSGAGTIEFIYDHHENNFYFMEMNTRIQVEHPVTELVTGIDLVKQQFLVASGEELQIKQADVKLTGWAMECRINAENPEKNFMPAPGEIKFYLPPGGLGVRIDSAAYPNYKIPPYYDSMIAKVICYAETREEVIQKMKRALSEFAIDGIPSTIPFHLRVLDNDVFLSGDFNTKFLEQNDVMNLSKEG |
| Complex: L22_A_3(2W70) / Model_34(2W70/A) = [3.4]
| Download | 476.01 | 18.90 | MIKKVLVANRGEIAVRIIRAAKELGVETVAIYSEADREALHIQLADEAYCVGPAATKDSYLNMSNIISLAVLTNCDAIHPGYGFLAENADFAELCEDCNITFIGPSASAISQMGTKDVARETMRKAGVPIVPGSQGIVADVEDGKKIAKKIGYPVIIKATAGGGGKGIRVAENEEKLISGIHTTQQEAEAAFGDPGVYLEKYIQDFRHVEIQVLADNHGNVIHLGERDCSIQRRLQKLIEESPSPAIDEKTRQKMGKAAVKAAKAVNYSGAGTIEFIYDHHENNFYFMEMNTRIQVEHPVTELVTGIDLVKQQFLVASGEELQIKQADVKLTGWAMECRINAENPEKNFMPAPGEIKFYLPPGGLGVRIDSAAYPNYKIPPYYDSMIAKVICYAETREEVIQKMKRALSEFAIDGIPSTIPFHLRVLDNDVFLSGDFNTKFLEQNDVMNLSKEG |
| Complex: OA3_C_5(2W6O) / Model_39(2W6O/C) = [3.5]
| Download | 581.98 | 32.30 | MIKKVLVANRGEIAVRIIRAAKELGVETVAIYSEADREALHIQLADEAYCVGPAATKDSYLNMSNIISLAVLTNCDAIHPGYGFLAENADFAELCEDCNITFIGPSASAISQMGTKDVARETMRKAGVPIVPGSQGIVADVEDGKKIAKKIGYPVIIKATAGGGGKGIRVAENEEKLISGIHTTQQEAEAAFGDPGVYLEKYIQDFRHVEIQVLADNHGNVIHLGERDCSIQRRLQKLIEESPSPAIDEKTRQKMGKAAVKAAKAVNYSGAGTIEFIYDHHENNFYFMEMNTRIQVEHPVTELVTGIDLVKQQFLVASGEELQIKQADVKLTGWAMECRINAENPEKNFMPAPGEIKFYLPPGGLGVRIDSAAYPNYKIPPYYDSMIAKVICYAETREEVIQKMKRALSEFAIDGIPSTIPFHLRVLDNDVFLSGDFNTKFLEQNDVMNLSKEG |
| Complex: ADP_A_3(4RZQ) / Model_2(4RZQ/A) = [3.6]
| Download | 1409.72 | 25.24 | MIKKVLVANRGEIAVRIIRAAKELGVETVAIYSEADREALHIQLADEAYCVGPAATKDSYLNMSNIISLAVLTNCDAIHPGYGFLAENADFAELCEDCNITFIGPSASAISQMGTKDVARETMRKAGVPIVPGSQGIVADVEDGKKIAKKIGYPVIIKATAGGGGKGIRVAENEEKLISGIHTTQQEAEAAFGDPGVYLEKYIQDFRHVEIQVLADNHGNVIHLGERDCSIQRRLQKLIEESPSPAIDEKTRQKMGKAAVKAAKAVNYSGAGTIEFIYDHHENNFYFMEMNTRIQVEHPVTELVTGIDLVKQQFLVASGEELQIKQADVKLTGWAMECRINAENPEKNFMPAPGEIKFYLPPGGLGVRIDSAAYPNYKIPPYYDSMIAKVICYAETREEVIQKMKRALSEFAIDGIPSTIPFHLRVLDNDVFLSGDFNTKFLEQNDVMNLSKEG |
Consensus
[pKd Mean = 3.44] | - | 733
(s=341) | 23
(s=6) | MIKKVLVANRGEIAVRIIRAAKELGVETVAIYSEADREALHIQLADEAYCVGPAATKDSYLNMSNIISLAVLTNCDAIHPGYGFLAENADFAELCEDCNITFIGPSASAISQMGTKDVARETMRKAGVPIVPGSQGIVADVEDGKKIAKKIGYPVIIKATAGGGGKGIRVAENEEKLISGIHTTQQEAEAAFGDPGVYLEKYIQDFRHVEIQVLADNHGNVIHLGERDCSIQRRLQKLIEESPSPAIDEKTRQKMGKAAVKAAKAVNYSGAGTIEFIYDHHENNFYFMEMNTRIQVEHPVTELVTGIDLVKQQFLVASGEELQIKQADVKLTGWAMECRINAENPEKNFMPAPGEIKFYLPPGGLGVRIDSAAYPNYKIPPYYDSMIAKVICYAETREEVIQKMKRALSEFAIDGIPSTIPFHLRVLDNDVFLSGDFNTKFLEQNDVMNLSKEG |