| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: EDO_A_7(3KRE) / Model_4(3KRE/A) = [3.2]
| Download | 456.23 | -1.93 | MEKREELYRGKAKSVYQTDDADRLILLFRNDTSAFDGKRIEQLDRKGAVNNKFNAFIMQKLEAAGIPTQFDKLLSDTECLVKKLDMIPVECVVRNFAAGSLVRRLGVEEGIALTPPTFELFLKNDALGDPFINESHVQAFGWATPEQLAQMKTYSFKVNEVLNKLFDDAGLLLVDFKLEFGLFHGQIVLGDEFSPDGCRLWDKETRKKMDKDRFRQGLGDVIEAYEEVAKRLGVPL |
| Complex: EDO_A_7(3KRE) / Model_36(3KRE/A) = [3.2]
| Download | 458.13 | -1.93 | MEKREELYRGKAKSVYQTDDADRLILLFRNDTSAFDGKRIEQLDRKGAVNNKFNAFIMQKLEAAGIPTQFDKLLSDTECLVKKLDMIPVECVVRNFAAGSLVRRLGVEEGIALTPPTFELFLKNDALGDPFINESHVQAFGWATPEQLAQMKTYSFKVNEVLNKLFDDAGLLLVDFKLEFGLFHGQIVLGDEFSPDGCRLWDKETRKKMDKDRFRQGLGDVIEAYEEVAKRLGVPL |
| Complex: ADP_A_3(4O7T) / Model_16(4O7T/A) = [4.0]
| Download | 1316.66 | 24.29 | MEKREELYRGKAKSVYQTDDADRLILLFRNDTSAFDGKRIEQLDRKGAVNNKFNAFIMQKLEAAGIPTQFDKLLSDTECLVKKLDMIPVECVVRNFAAGSLVRRLGVEEGIALTPPTFELFLKNDALGDPFINESHVQAFGWATPEQLAQMKTYSFKVNEVLNKLFDDAGLLLVDFKLEFGLFHGQIVLGDEFSPDGCRLWDKETRKKMDKDRFRQGLGDVIEAYEEVAKRLGVPL |
| Complex: ADP_A_8(4O86) / Model_20(4O86/A) = [4.6]
| Download | 1220.19 | 26.86 | MEKREELYRGKAKSVYQTDDADRLILLFRNDTSAFDGKRIEQLDRKGAVNNKFNAFIMQKLEAAGIPTQFDKLLSDTECLVKKLDMIPVECVVRNFAAGSLVRRLGVEEGIALTPPTFELFLKNDALGDPFINESHVQAFGWATPEQLAQMKTYSFKVNEVLNKLFDDAGLLLVDFKLEFGLFHGQIVLGDEFSPDGCRLWDKETRKKMDKDRFRQGLGDVIEAYEEVAKRLGVPL |
| Complex: AIR_A_3(4FE2) / Model_5(4FE2/A) = [4.9]
| Download | 1026.23 | -7.79 | MEKREELYRGKAKSVYQTDDADRLILLFRNDTSAFDGKRIEQLDRKGAVNNKFNAFIMQKLEAAGIPTQFDKLLSDTECLVKKLDMIPVECVVRNFAAGSLVRRLGVEEGIALTPPTFELFLKNDALGDPFINESHVQAFGWATPEQLAQMKTYSFKVNEVLNKLFDDAGLLLVDFKLEFGLFHGQIVLGDEFSPDGCRLWDKETRKKMDKDRFRQGLGDVIEAYEEVAKRLGVPL |
Consensus
[pKd Mean = 3.98] | - | 895
(s=369) | 7
(s=14) | MEKREELYRGKAKSVYQTDDADRLILLFRNDTSAFDGKRIEQLDRKGAVNNKFNAFIMQKLEAAGIPTQFDKLLSDTECLVKKLDMIPVECVVRNFAAGSLVRRLGVEEGIALTPPTFELFLKNDALGDPFINESHVQAFGWATPEQLAQMKTYSFKVNEVLNKLFDDAGLLLVDFKLEFGLFHGQIVLGDEFSPDGCRLWDKETRKKMDKDRFRQGLGDVIEAYEEVAKRLGVPL |