| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_A_5(2Q0H) / Model_60(2Q0H/A) = [3.2]
| Download | 649.76 | -1.00 | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
| Complex: ATP_A_6(4YMV) / Model_81(4YMV/A) = [3.3]
| Download | 761.12 | -10.57 | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
| Complex: AGS_B_6(3C4J) / Model_57(3C4J/B) = [3.3]
| Download | 1080.41 | 3.73 | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
| Complex: ADP_B_6(2Q0H) / Model_59(2Q0H/B) = [3.5]
| Download | 936.09 | -3.40 | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
| Complex: ANP_K_6(3C41) / Model_55(3C41/K) = [3.6]
| Download | 802.27 | -10.79 | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
Consensus
[pKd Mean = 3.38] | - | 845
(s=148) | -4
(s=5) | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |