| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_B_6(2HYD) / Model_22(2HYD/B) = [4.6]
| Download | 996.96 | 15.45 | GGIVILKRFFSYYKPYRTLFIIDFGCAVLAAILELAFPVAVNHVIDTLLPGKDFGLIITAALALLFFYILNTFMQYIVTYFGHMLGLNIETDMRRDLFSHLQKQPFGFYDNQKTGKLMSRMTTDLFEIGEVAHHGPEDIFISIMSLFGAFFLMLNINVKLAISTFILVPILTVLIVYFNKRMTKVTTGIFKDLGNFNAGVENAISGVRVVQAFANEPHEKGRFKVLNQAYRKSKLMFYKVMGLSFSFNYFLMRLISLFALLFGAYFTINGEISYGEFVGFILLTNVFIRPIEKINNVIESYPKGFAGFKRFLEVMDTEPAIQDEKDAKPAEAFRGDIAYNQVSFEYSDGKNVLNHINLSIKAGETVAFVGPSGAGKTTICNLLPRFYDVSAGEITIDGENIKRFTLPSLRAQIGVVQQDVFLFSGTVRENIAYGKLDASDEEIEHVVKLAHLSKVVEEMPDGLDTIIGERGVKLSGGQKQRLAIARMFLKNPPILILDEATSALDTETEQVIQASLEELAEGRTTLIIAHRLATIKHADRIIVVNETGIAETGTHDELLAQDNGAYKRLYDAQFNTI |
| Complex: ADP_D_10(1MV5) / Model_57(1MV5/D) = [4.9]
| Download | 869.19 | 14.86 | GGIVILKRFFSYYKPYRTLFIIDFGCAVLAAILELAFPVAVNHVIDTLLPGKDFGLIITAALALLFFYILNTFMQYIVTYFGHMLGLNIETDMRRDLFSHLQKQPFGFYDNQKTGKLMSRMTTDLFEIGEVAHHGPEDIFISIMSLFGAFFLMLNINVKLAISTFILVPILTVLIVYFNKRMTKVTTGIFKDLGNFNAGVENAISGVRVVQAFANEPHEKGRFKVLNQAYRKSKLMFYKVMGLSFSFNYFLMRLISLFALLFGAYFTINGEISYGEFVGFILLTNVFIRPIEKINNVIESYPKGFAGFKRFLEVMDTEPAIQDEKDAKPAEAFRGDIAYNQVSFEYSDGKNVLNHINLSIKAGETVAFVGPSGAGKTTICNLLPRFYDVSAGEITIDGENIKRFTLPSLRAQIGVVQQDVFLFSGTVRENIAYGKLDASDEEIEHVVKLAHLSKVVEEMPDGLDTIIGERGVKLSGGQKQRLAIARMFLKNPPILILDEATSALDTETEQVIQASLEELAEGRTTLIIAHRLATIKHADRIIVVNETGIAETGTHDELLAQDNGAYKRLYDAQFNTI |
| Complex: ATP_C_9(1MV5) / Model_58(1MV5/C) = [5.4]
| Download | 1065.69 | 13.94 | GGIVILKRFFSYYKPYRTLFIIDFGCAVLAAILELAFPVAVNHVIDTLLPGKDFGLIITAALALLFFYILNTFMQYIVTYFGHMLGLNIETDMRRDLFSHLQKQPFGFYDNQKTGKLMSRMTTDLFEIGEVAHHGPEDIFISIMSLFGAFFLMLNINVKLAISTFILVPILTVLIVYFNKRMTKVTTGIFKDLGNFNAGVENAISGVRVVQAFANEPHEKGRFKVLNQAYRKSKLMFYKVMGLSFSFNYFLMRLISLFALLFGAYFTINGEISYGEFVGFILLTNVFIRPIEKINNVIESYPKGFAGFKRFLEVMDTEPAIQDEKDAKPAEAFRGDIAYNQVSFEYSDGKNVLNHINLSIKAGETVAFVGPSGAGKTTICNLLPRFYDVSAGEITIDGENIKRFTLPSLRAQIGVVQQDVFLFSGTVRENIAYGKLDASDEEIEHVVKLAHLSKVVEEMPDGLDTIIGERGVKLSGGQKQRLAIARMFLKNPPILILDEATSALDTETEQVIQASLEELAEGRTTLIIAHRLATIKHADRIIVVNETGIAETGTHDELLAQDNGAYKRLYDAQFNTI |
| Complex: ANP_A_2(4AYW) / Model_16(4AYW/A) = [5.6]
| Download | 1401.84 | 8.95 | GGIVILKRFFSYYKPYRTLFIIDFGCAVLAAILELAFPVAVNHVIDTLLPGKDFGLIITAALALLFFYILNTFMQYIVTYFGHMLGLNIETDMRRDLFSHLQKQPFGFYDNQKTGKLMSRMTTDLFEIGEVAHHGPEDIFISIMSLFGAFFLMLNINVKLAISTFILVPILTVLIVYFNKRMTKVTTGIFKDLGNFNAGVENAISGVRVVQAFANEPHEKGRFKVLNQAYRKSKLMFYKVMGLSFSFNYFLMRLISLFALLFGAYFTINGEISYGEFVGFILLTNVFIRPIEKINNVIESYPKGFAGFKRFLEVMDTEPAIQDEKDAKPAEAFRGDIAYNQVSFEYSDGKNVLNHINLSIKAGETVAFVGPSGAGKTTICNLLPRFYDVSAGEITIDGENIKRFTLPSLRAQIGVVQQDVFLFSGTVRENIAYGKLDASDEEIEHVVKLAHLSKVVEEMPDGLDTIIGERGVKLSGGQKQRLAIARMFLKNPPILILDEATSALDTETEQVIQASLEELAEGRTTLIIAHRLATIKHADRIIVVNETGIAETGTHDELLAQDNGAYKRLYDAQFNTI |
| Complex: ACP_A_4(4AYX) / Model_14(4AYX/A) = [5.6]
| Download | 1236.92 | 12.70 | GGIVILKRFFSYYKPYRTLFIIDFGCAVLAAILELAFPVAVNHVIDTLLPGKDFGLIITAALALLFFYILNTFMQYIVTYFGHMLGLNIETDMRRDLFSHLQKQPFGFYDNQKTGKLMSRMTTDLFEIGEVAHHGPEDIFISIMSLFGAFFLMLNINVKLAISTFILVPILTVLIVYFNKRMTKVTTGIFKDLGNFNAGVENAISGVRVVQAFANEPHEKGRFKVLNQAYRKSKLMFYKVMGLSFSFNYFLMRLISLFALLFGAYFTINGEISYGEFVGFILLTNVFIRPIEKINNVIESYPKGFAGFKRFLEVMDTEPAIQDEKDAKPAEAFRGDIAYNQVSFEYSDGKNVLNHINLSIKAGETVAFVGPSGAGKTTICNLLPRFYDVSAGEITIDGENIKRFTLPSLRAQIGVVQQDVFLFSGTVRENIAYGKLDASDEEIEHVVKLAHLSKVVEEMPDGLDTIIGERGVKLSGGQKQRLAIARMFLKNPPILILDEATSALDTETEQVIQASLEELAEGRTTLIIAHRLATIKHADRIIVVNETGIAETGTHDELLAQDNGAYKRLYDAQFNTI |
Consensus
[pKd Mean = 5.22] | - | 1114
(s=186) | 13
(s=2) | GGIVILKRFFSYYKPYRTLFIIDFGCAVLAAILELAFPVAVNHVIDTLLPGKDFGLIITAALALLFFYILNTFMQYIVTYFGHMLGLNIETDMRRDLFSHLQKQPFGFYDNQKTGKLMSRMTTDLFEIGEVAHHGPEDIFISIMSLFGAFFLMLNINVKLAISTFILVPILTVLIVYFNKRMTKVTTGIFKDLGNFNAGVENAISGVRVVQAFANEPHEKGRFKVLNQAYRKSKLMFYKVMGLSFSFNYFLMRLISLFALLFGAYFTINGEISYGEFVGFILLTNVFIRPIEKINNVIESYPKGFAGFKRFLEVMDTEPAIQDEKDAKPAEAFRGDIAYNQVSFEYSDGKNVLNHINLSIKAGETVAFVGPSGAGKTTICNLLPRFYDVSAGEITIDGENIKRFTLPSLRAQIGVVQQDVFLFSGTVRENIAYGKLDASDEEIEHVVKLAHLSKVVEEMPDGLDTIIGERGVKLSGGQKQRLAIARMFLKNPPILILDEATSALDTETEQVIQASLEELAEGRTTLIIAHRLATIKHADRIIVVNETGIAETGTHDELLAQDNGAYKRLYDAQFNTI |