| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: HIO_A_4(4KQX) / Model_25(4KQX/B) = [3.5]
| Download | 819.00 | 17.47 | MALPVYYDKDIDLGVIQSLQVGIIGYGVQGEAQALNLRDSKVKVRIGLYQGSLSVSKAKKEGFEVLGVKELVQQSDVIMALLPDELHKEVLEKEVIPFLKEGQIIGFAHGFSVHFNQVVLPKGVGAILVAPKGPGSALREEYLKNRGLYHLIAIEQESSIHNAKAVALSYAKAMGGGRMGVLETSFKEECESDLFGEQAVLCGGLEAIVRMGFETLIKAGYPEELAYFECVHEVKLVADLLHYKGVEGLRKHISNTAEFGAIKAREPMGNLLEKRMQKILKKIQNGAFAKDFLLEKSLNYPRLNTERKALKETKIEQIGEILRAPFNHKK |
| Complex: HIO_B_9(4XDY) / Model_26(4XDY/B) = [3.5]
| Download | 856.82 | 17.47 | MALPVYYDKDIDLGVIQSLQVGIIGYGVQGEAQALNLRDSKVKVRIGLYQGSLSVSKAKKEGFEVLGVKELVQQSDVIMALLPDELHKEVLEKEVIPFLKEGQIIGFAHGFSVHFNQVVLPKGVGAILVAPKGPGSALREEYLKNRGLYHLIAIEQESSIHNAKAVALSYAKAMGGGRMGVLETSFKEECESDLFGEQAVLCGGLEAIVRMGFETLIKAGYPEELAYFECVHEVKLVADLLHYKGVEGLRKHISNTAEFGAIKAREPMGNLLEKRMQKILKKIQNGAFAKDFLLEKSLNYPRLNTERKALKETKIEQIGEILRAPFNHKK |
| Complex: 40E_B_14(4XDZ) / Model_27(4XDZ/B) = [3.5]
| Download | 822.37 | 17.47 | MALPVYYDKDIDLGVIQSLQVGIIGYGVQGEAQALNLRDSKVKVRIGLYQGSLSVSKAKKEGFEVLGVKELVQQSDVIMALLPDELHKEVLEKEVIPFLKEGQIIGFAHGFSVHFNQVVLPKGVGAILVAPKGPGSALREEYLKNRGLYHLIAIEQESSIHNAKAVALSYAKAMGGGRMGVLETSFKEECESDLFGEQAVLCGGLEAIVRMGFETLIKAGYPEELAYFECVHEVKLVADLLHYKGVEGLRKHISNTAEFGAIKAREPMGNLLEKRMQKILKKIQNGAFAKDFLLEKSLNYPRLNTERKALKETKIEQIGEILRAPFNHKK |
| Complex: NAD_B_10(4KQX) / Model_25(4KQX/B) = [6.1]
| Download | 2090.68 | 21.41 | MALPVYYDKDIDLGVIQSLQVGIIGYGVQGEAQALNLRDSKVKVRIGLYQGSLSVSKAKKEGFEVLGVKELVQQSDVIMALLPDELHKEVLEKEVIPFLKEGQIIGFAHGFSVHFNQVVLPKGVGAILVAPKGPGSALREEYLKNRGLYHLIAIEQESSIHNAKAVALSYAKAMGGGRMGVLETSFKEECESDLFGEQAVLCGGLEAIVRMGFETLIKAGYPEELAYFECVHEVKLVADLLHYKGVEGLRKHISNTAEFGAIKAREPMGNLLEKRMQKILKKIQNGAFAKDFLLEKSLNYPRLNTERKALKETKIEQIGEILRAPFNHKK |
| Complex: NAD_A_3(4KQX) / Model_4(4KQX/A) = [6.3]
| Download | 2102.55 | 24.03 | MALPVYYDKDIDLGVIQSLQVGIIGYGVQGEAQALNLRDSKVKVRIGLYQGSLSVSKAKKEGFEVLGVKELVQQSDVIMALLPDELHKEVLEKEVIPFLKEGQIIGFAHGFSVHFNQVVLPKGVGAILVAPKGPGSALREEYLKNRGLYHLIAIEQESSIHNAKAVALSYAKAMGGGRMGVLETSFKEECESDLFGEQAVLCGGLEAIVRMGFETLIKAGYPEELAYFECVHEVKLVADLLHYKGVEGLRKHISNTAEFGAIKAREPMGNLLEKRMQKILKKIQNGAFAKDFLLEKSLNYPRLNTERKALKETKIEQIGEILRAPFNHKK |
Consensus
[pKd Mean = 4.58] | - | 1338
(s=619) | 19
(s=2) | MALPVYYDKDIDLGVIQSLQVGIIGYGVQGEAQALNLRDSKVKVRIGLYQGSLSVSKAKKEGFEVLGVKELVQQSDVIMALLPDELHKEVLEKEVIPFLKEGQIIGFAHGFSVHFNQVVLPKGVGAILVAPKGPGSALREEYLKNRGLYHLIAIEQESSIHNAKAVALSYAKAMGGGRMGVLETSFKEECESDLFGEQAVLCGGLEAIVRMGFETLIKAGYPEELAYFECVHEVKLVADLLHYKGVEGLRKHISNTAEFGAIKAREPMGNLLEKRMQKILKKIQNGAFAKDFLLEKSLNYPRLNTERKALKETKIEQIGEILRAPFNHKK |