| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ADP_D_10(1MV5) / Model_38(1MV5/D) = [5.1]
| Download | 966.52 | 11.92 | MARNKFDIDEELETAFSAAHLKRILVYVKPYQKSIYITLFVILLANVATMIGPYLTKIVIDDTIPNKNMTQLFWIAVIFIVSVIVTGLCMRYRIRSITLIGQDILKDMRTAIFGHLQKLPFSYFDSRPHGKILIRVVNYINMLSDLLSNGLINLISDILSVIVTLGFMLMIDPVLTLYSLALIPVLFVIVMVIKTAQRKAYQVLSNKQSNMNAYIHESIAGIKVTQSFSREEENFEIFTEVSNEYRRSWMKAVKIQFLLWPGVQNIAVMTTCLIYFVGIKGYGVDVSTGTLIAFIGYVGNFWNPVINIGNFYNSLITATTYLERIFETMDVEPDIKDIPNAKKMPPIVGNVDFKDVYFRYEEGVDILKGINFHVDAGESIALVGPTGAGKTTIINLLSRFYNINSGEILVDGENVEEVTLRSLRSQMGVMLQDTFIFSGTIIENIRYGKLDATEEEIIAAAKVVRAHDFISGLKDGYYTEVKERGSTLSAGQRQLISFARALLADPKILILDEATSSIDTQTEILLQEGLERLLEGRTSFIIAHRLSTIKNSSRIFYIDNGRIQEAGSHEELMAQHGYYYNLYQSQFDMLQAL |
| Complex: ACP_A_4(4AYX) / Model_18(4AYX/A) = [5.5]
| Download | 1408.50 | 12.75 | MARNKFDIDEELETAFSAAHLKRILVYVKPYQKSIYITLFVILLANVATMIGPYLTKIVIDDTIPNKNMTQLFWIAVIFIVSVIVTGLCMRYRIRSITLIGQDILKDMRTAIFGHLQKLPFSYFDSRPHGKILIRVVNYINMLSDLLSNGLINLISDILSVIVTLGFMLMIDPVLTLYSLALIPVLFVIVMVIKTAQRKAYQVLSNKQSNMNAYIHESIAGIKVTQSFSREEENFEIFTEVSNEYRRSWMKAVKIQFLLWPGVQNIAVMTTCLIYFVGIKGYGVDVSTGTLIAFIGYVGNFWNPVINIGNFYNSLITATTYLERIFETMDVEPDIKDIPNAKKMPPIVGNVDFKDVYFRYEEGVDILKGINFHVDAGESIALVGPTGAGKTTIINLLSRFYNINSGEILVDGENVEEVTLRSLRSQMGVMLQDTFIFSGTIIENIRYGKLDATEEEIIAAAKVVRAHDFISGLKDGYYTEVKERGSTLSAGQRQLISFARALLADPKILILDEATSSIDTQTEILLQEGLERLLEGRTSFIIAHRLSTIKNSSRIFYIDNGRIQEAGSHEELMAQHGYYYNLYQSQFDMLQAL |
| Complex: AGS_A_3(4S0F) / Model_14(4S0F/A) = [5.6]
| Download | 1097.37 | 13.65 | MARNKFDIDEELETAFSAAHLKRILVYVKPYQKSIYITLFVILLANVATMIGPYLTKIVIDDTIPNKNMTQLFWIAVIFIVSVIVTGLCMRYRIRSITLIGQDILKDMRTAIFGHLQKLPFSYFDSRPHGKILIRVVNYINMLSDLLSNGLINLISDILSVIVTLGFMLMIDPVLTLYSLALIPVLFVIVMVIKTAQRKAYQVLSNKQSNMNAYIHESIAGIKVTQSFSREEENFEIFTEVSNEYRRSWMKAVKIQFLLWPGVQNIAVMTTCLIYFVGIKGYGVDVSTGTLIAFIGYVGNFWNPVINIGNFYNSLITATTYLERIFETMDVEPDIKDIPNAKKMPPIVGNVDFKDVYFRYEEGVDILKGINFHVDAGESIALVGPTGAGKTTIINLLSRFYNINSGEILVDGENVEEVTLRSLRSQMGVMLQDTFIFSGTIIENIRYGKLDATEEEIIAAAKVVRAHDFISGLKDGYYTEVKERGSTLSAGQRQLISFARALLADPKILILDEATSSIDTQTEILLQEGLERLLEGRTSFIIAHRLSTIKNSSRIFYIDNGRIQEAGSHEELMAQHGYYYNLYQSQFDMLQAL |
| Complex: ADP_A_5(2HYD) / Model_5(2HYD/A) = [5.8]
| Download | 1118.41 | 11.48 | MARNKFDIDEELETAFSAAHLKRILVYVKPYQKSIYITLFVILLANVATMIGPYLTKIVIDDTIPNKNMTQLFWIAVIFIVSVIVTGLCMRYRIRSITLIGQDILKDMRTAIFGHLQKLPFSYFDSRPHGKILIRVVNYINMLSDLLSNGLINLISDILSVIVTLGFMLMIDPVLTLYSLALIPVLFVIVMVIKTAQRKAYQVLSNKQSNMNAYIHESIAGIKVTQSFSREEENFEIFTEVSNEYRRSWMKAVKIQFLLWPGVQNIAVMTTCLIYFVGIKGYGVDVSTGTLIAFIGYVGNFWNPVINIGNFYNSLITATTYLERIFETMDVEPDIKDIPNAKKMPPIVGNVDFKDVYFRYEEGVDILKGINFHVDAGESIALVGPTGAGKTTIINLLSRFYNINSGEILVDGENVEEVTLRSLRSQMGVMLQDTFIFSGTIIENIRYGKLDATEEEIIAAAKVVRAHDFISGLKDGYYTEVKERGSTLSAGQRQLISFARALLADPKILILDEATSSIDTQTEILLQEGLERLLEGRTSFIIAHRLSTIKNSSRIFYIDNGRIQEAGSHEELMAQHGYYYNLYQSQFDMLQAL |
| Complex: ADP_B_6(2HYD) / Model_22(2HYD/B) = [5.9]
| Download | 1239.57 | 11.76 | MARNKFDIDEELETAFSAAHLKRILVYVKPYQKSIYITLFVILLANVATMIGPYLTKIVIDDTIPNKNMTQLFWIAVIFIVSVIVTGLCMRYRIRSITLIGQDILKDMRTAIFGHLQKLPFSYFDSRPHGKILIRVVNYINMLSDLLSNGLINLISDILSVIVTLGFMLMIDPVLTLYSLALIPVLFVIVMVIKTAQRKAYQVLSNKQSNMNAYIHESIAGIKVTQSFSREEENFEIFTEVSNEYRRSWMKAVKIQFLLWPGVQNIAVMTTCLIYFVGIKGYGVDVSTGTLIAFIGYVGNFWNPVINIGNFYNSLITATTYLERIFETMDVEPDIKDIPNAKKMPPIVGNVDFKDVYFRYEEGVDILKGINFHVDAGESIALVGPTGAGKTTIINLLSRFYNINSGEILVDGENVEEVTLRSLRSQMGVMLQDTFIFSGTIIENIRYGKLDATEEEIIAAAKVVRAHDFISGLKDGYYTEVKERGSTLSAGQRQLISFARALLADPKILILDEATSSIDTQTEILLQEGLERLLEGRTSFIIAHRLSTIKNSSRIFYIDNGRIQEAGSHEELMAQHGYYYNLYQSQFDMLQAL |
Consensus
[pKd Mean = 5.58] | - | 1166
(s=148) | 12
(s=0) | MARNKFDIDEELETAFSAAHLKRILVYVKPYQKSIYITLFVILLANVATMIGPYLTKIVIDDTIPNKNMTQLFWIAVIFIVSVIVTGLCMRYRIRSITLIGQDILKDMRTAIFGHLQKLPFSYFDSRPHGKILIRVVNYINMLSDLLSNGLINLISDILSVIVTLGFMLMIDPVLTLYSLALIPVLFVIVMVIKTAQRKAYQVLSNKQSNMNAYIHESIAGIKVTQSFSREEENFEIFTEVSNEYRRSWMKAVKIQFLLWPGVQNIAVMTTCLIYFVGIKGYGVDVSTGTLIAFIGYVGNFWNPVINIGNFYNSLITATTYLERIFETMDVEPDIKDIPNAKKMPPIVGNVDFKDVYFRYEEGVDILKGINFHVDAGESIALVGPTGAGKTTIINLLSRFYNINSGEILVDGENVEEVTLRSLRSQMGVMLQDTFIFSGTIIENIRYGKLDATEEEIIAAAKVVRAHDFISGLKDGYYTEVKERGSTLSAGQRQLISFARALLADPKILILDEATSSIDTQTEILLQEGLERLLEGRTSFIIAHRLSTIKNSSRIFYIDNGRIQEAGSHEELMAQHGYYYNLYQSQFDMLQAL |