| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: NACID_M_13(3GLG) / Model_45(3GLG/G) = [3.5]
| Download | - | - | MSYQALYRVFRPQRFEDVVGQEHITKTLQNALLQKKFSHAYLFSGPRGTGKTSAAKIFAKAVNCEHAPVDEPCNECAACKGITNGSISDVIEIDAASNNGVDEIRDIRDKVKFAPSAVTYKVYIIDEVHMLSIGAFNALLKTLEEPPEHCIFILATTEPHKIPLTIISRCQRFDFKRITSQAIVGRMNKIVDAEQLQVEEGSLEIIASAADGGMRDALSLLDQAISFSGDILKVEDALLITGAVSQLYIGKLAKSLHDKNVSDALETLNELLQQGKDPAKLIEDMIFYFRDMLLYKTAPGLEGVLEKVKVDETFRELSEQIPAQALYEMIDILNKSHQEMKWTNHPRIFFEVAVVKICQTSHQSAADLPEVDMLMKKIQQLEQEVERLKTTGIKAAAESPKKEAPRVPKGGKSNYKAPVGRIHEILKEATRPDLDLLRNSWGKLLAHLKQQNKVSHAALLNDSEPVAAGSAAFVLKFKYEIHCKMVAEDNNGVRTNLEQILESMLGKRMDLIGVPEAQWGKIREEFLEDHQQENEGSNEPAEEDPLIAEAKKLVGADLIEIKD |
| Complex: NACID_M_13(3GLF) / Model_35(3GLF/G) = [3.5]
| Download | - | - | MSYQALYRVFRPQRFEDVVGQEHITKTLQNALLQKKFSHAYLFSGPRGTGKTSAAKIFAKAVNCEHAPVDEPCNECAACKGITNGSISDVIEIDAASNNGVDEIRDIRDKVKFAPSAVTYKVYIIDEVHMLSIGAFNALLKTLEEPPEHCIFILATTEPHKIPLTIISRCQRFDFKRITSQAIVGRMNKIVDAEQLQVEEGSLEIIASAADGGMRDALSLLDQAISFSGDILKVEDALLITGAVSQLYIGKLAKSLHDKNVSDALETLNELLQQGKDPAKLIEDMIFYFRDMLLYKTAPGLEGVLEKVKVDETFRELSEQIPAQALYEMIDILNKSHQEMKWTNHPRIFFEVAVVKICQTSHQSAADLPEVDMLMKKIQQLEQEVERLKTTGIKAAAESPKKEAPRVPKGGKSNYKAPVGRIHEILKEATRPDLDLLRNSWGKLLAHLKQQNKVSHAALLNDSEPVAAGSAAFVLKFKYEIHCKMVAEDNNGVRTNLEQILESMLGKRMDLIGVPEAQWGKIREEFLEDHQQENEGSNEPAEEDPLIAEAKKLVGADLIEIKD |
| Complex: NACID_K_11(3GLI) / Model_31(3GLI/D) = [3.6]
| Download | - | - | MSYQALYRVFRPQRFEDVVGQEHITKTLQNALLQKKFSHAYLFSGPRGTGKTSAAKIFAKAVNCEHAPVDEPCNECAACKGITNGSISDVIEIDAASNNGVDEIRDIRDKVKFAPSAVTYKVYIIDEVHMLSIGAFNALLKTLEEPPEHCIFILATTEPHKIPLTIISRCQRFDFKRITSQAIVGRMNKIVDAEQLQVEEGSLEIIASAADGGMRDALSLLDQAISFSGDILKVEDALLITGAVSQLYIGKLAKSLHDKNVSDALETLNELLQQGKDPAKLIEDMIFYFRDMLLYKTAPGLEGVLEKVKVDETFRELSEQIPAQALYEMIDILNKSHQEMKWTNHPRIFFEVAVVKICQTSHQSAADLPEVDMLMKKIQQLEQEVERLKTTGIKAAAESPKKEAPRVPKGGKSNYKAPVGRIHEILKEATRPDLDLLRNSWGKLLAHLKQQNKVSHAALLNDSEPVAAGSAAFVLKFKYEIHCKMVAEDNNGVRTNLEQILESMLGKRMDLIGVPEAQWGKIREEFLEDHQQENEGSNEPAEEDPLIAEAKKLVGADLIEIKD |
| Complex: NACID_M_13(3GLI) / Model_28(3GLI/I) = [4.0]
| Download | - | - | MSYQALYRVFRPQRFEDVVGQEHITKTLQNALLQKKFSHAYLFSGPRGTGKTSAAKIFAKAVNCEHAPVDEPCNECAACKGITNGSISDVIEIDAASNNGVDEIRDIRDKVKFAPSAVTYKVYIIDEVHMLSIGAFNALLKTLEEPPEHCIFILATTEPHKIPLTIISRCQRFDFKRITSQAIVGRMNKIVDAEQLQVEEGSLEIIASAADGGMRDALSLLDQAISFSGDILKVEDALLITGAVSQLYIGKLAKSLHDKNVSDALETLNELLQQGKDPAKLIEDMIFYFRDMLLYKTAPGLEGVLEKVKVDETFRELSEQIPAQALYEMIDILNKSHQEMKWTNHPRIFFEVAVVKICQTSHQSAADLPEVDMLMKKIQQLEQEVERLKTTGIKAAAESPKKEAPRVPKGGKSNYKAPVGRIHEILKEATRPDLDLLRNSWGKLLAHLKQQNKVSHAALLNDSEPVAAGSAAFVLKFKYEIHCKMVAEDNNGVRTNLEQILESMLGKRMDLIGVPEAQWGKIREEFLEDHQQENEGSNEPAEEDPLIAEAKKLVGADLIEIKD |
| Complex: NACID_K_11(3GLI) / Model_32(3GLI/C) = [4.0]
| Download | - | - | MSYQALYRVFRPQRFEDVVGQEHITKTLQNALLQKKFSHAYLFSGPRGTGKTSAAKIFAKAVNCEHAPVDEPCNECAACKGITNGSISDVIEIDAASNNGVDEIRDIRDKVKFAPSAVTYKVYIIDEVHMLSIGAFNALLKTLEEPPEHCIFILATTEPHKIPLTIISRCQRFDFKRITSQAIVGRMNKIVDAEQLQVEEGSLEIIASAADGGMRDALSLLDQAISFSGDILKVEDALLITGAVSQLYIGKLAKSLHDKNVSDALETLNELLQQGKDPAKLIEDMIFYFRDMLLYKTAPGLEGVLEKVKVDETFRELSEQIPAQALYEMIDILNKSHQEMKWTNHPRIFFEVAVVKICQTSHQSAADLPEVDMLMKKIQQLEQEVERLKTTGIKAAAESPKKEAPRVPKGGKSNYKAPVGRIHEILKEATRPDLDLLRNSWGKLLAHLKQQNKVSHAALLNDSEPVAAGSAAFVLKFKYEIHCKMVAEDNNGVRTNLEQILESMLGKRMDLIGVPEAQWGKIREEFLEDHQQENEGSNEPAEEDPLIAEAKKLVGADLIEIKD |
Consensus
[pKd Mean = 3.72] | - | 0
(s=0) | 0
(s=0) | MSYQALYRVFRPQRFEDVVGQEHITKTLQNALLQKKFSHAYLFSGPRGTGKTSAAKIFAKAVNCEHAPVDEPCNECAACKGITNGSISDVIEIDAASNNGVDEIRDIRDKVKFAPSAVTYKVYIIDEVHMLSIGAFNALLKTLEEPPEHCIFILATTEPHKIPLTIISRCQRFDFKRITSQAIVGRMNKIVDAEQLQVEEGSLEIIASAADGGMRDALSLLDQAISFSGDILKVEDALLITGAVSQLYIGKLAKSLHDKNVSDALETLNELLQQGKDPAKLIEDMIFYFRDMLLYKTAPGLEGVLEKVKVDETFRELSEQIPAQALYEMIDILNKSHQEMKWTNHPRIFFEVAVVKICQTSHQSAADLPEVDMLMKKIQQLEQEVERLKTTGIKAAAESPKKEAPRVPKGGKSNYKAPVGRIHEILKEATRPDLDLLRNSWGKLLAHLKQQNKVSHAALLNDSEPVAAGSAAFVLKFKYEIHCKMVAEDNNGVRTNLEQILESMLGKRMDLIGVPEAQWGKIREEFLEDHQQENEGSNEPAEEDPLIAEAKKLVGADLIEIKD |