| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: CIT_B_9(3ITJ) / Model_27(3ITJ/B) = [3.2]
| Download | 610.08 | -13.00 | MPDTLRHARVIILGSGPAGYSAAVYAARANLKPLLITGMQAGGQLTTTTEVDNWPGDPHGLTGPALMQRMQEHAERFETEIVFDHIHAVDLAGKPFTLRGDNGTYTCDALIVATGASARYLGLPSEQAFMGKGVSACATCDGFFYRNREVAVIGGGNTAVEEALYLANIASRVTLVHRRETFRAEKILQDKLQARVAEGKIVLKLNAEVDEVLGDTMGVTGVRLKTRDGGSEEIAVDGMFVAIGHTPNTSLFEGQLALKDGYLVVNGGREGNATATNVPGVFAAGDVADHVYRQAITSAGAGCMAALDVERYLDSL |
| Complex: ACY_B_9(3F8P) / Model_49(3F8P/B) = [3.7]
| Download | 263.01 | 18.58 | MPDTLRHARVIILGSGPAGYSAAVYAARANLKPLLITGMQAGGQLTTTTEVDNWPGDPHGLTGPALMQRMQEHAERFETEIVFDHIHAVDLAGKPFTLRGDNGTYTCDALIVATGASARYLGLPSEQAFMGKGVSACATCDGFFYRNREVAVIGGGNTAVEEALYLANIASRVTLVHRRETFRAEKILQDKLQARVAEGKIVLKLNAEVDEVLGDTMGVTGVRLKTRDGGSEEIAVDGMFVAIGHTPNTSLFEGQLALKDGYLVVNGGREGNATATNVPGVFAAGDVADHVYRQAITSAGAGCMAALDVERYLDSL |
| Complex: CIT_C_12(3ITJ) / Model_26(3ITJ/C) = [3.8]
| Download | 784.35 | 4.07 | MPDTLRHARVIILGSGPAGYSAAVYAARANLKPLLITGMQAGGQLTTTTEVDNWPGDPHGLTGPALMQRMQEHAERFETEIVFDHIHAVDLAGKPFTLRGDNGTYTCDALIVATGASARYLGLPSEQAFMGKGVSACATCDGFFYRNREVAVIGGGNTAVEEALYLANIASRVTLVHRRETFRAEKILQDKLQARVAEGKIVLKLNAEVDEVLGDTMGVTGVRLKTRDGGSEEIAVDGMFVAIGHTPNTSLFEGQLALKDGYLVVNGGREGNATATNVPGVFAAGDVADHVYRQAITSAGAGCMAALDVERYLDSL |
| Complex: ACY_B_8(3F8D) / Model_53(3F8D/B) = [3.9]
| Download | 257.34 | 23.42 | MPDTLRHARVIILGSGPAGYSAAVYAARANLKPLLITGMQAGGQLTTTTEVDNWPGDPHGLTGPALMQRMQEHAERFETEIVFDHIHAVDLAGKPFTLRGDNGTYTCDALIVATGASARYLGLPSEQAFMGKGVSACATCDGFFYRNREVAVIGGGNTAVEEALYLANIASRVTLVHRRETFRAEKILQDKLQARVAEGKIVLKLNAEVDEVLGDTMGVTGVRLKTRDGGSEEIAVDGMFVAIGHTPNTSLFEGQLALKDGYLVVNGGREGNATATNVPGVFAAGDVADHVYRQAITSAGAGCMAALDVERYLDSL |
| Complex: FAD_A_5(2A87) / Model_67(2A87/A) = [10.1]
| Download | 604.08 | 29.76 | MPDTLRHARVIILGSGPAGYSAAVYAARANLKPLLITGMQAGGQLTTTTEVDNWPGDPHGLTGPALMQRMQEHAERFETEIVFDHIHAVDLAGKPFTLRGDNGTYTCDALIVATGASARYLGLPSEQAFMGKGVSACATCDGFFYRNREVAVIGGGNTAVEEALYLANIASRVTLVHRRETFRAEKILQDKLQARVAEGKIVLKLNAEVDEVLGDTMGVTGVRLKTRDGGSEEIAVDGMFVAIGHTPNTSLFEGQLALKDGYLVVNGGREGNATATNVPGVFAAGDVADHVYRQAITSAGAGCMAALDVERYLDSL |
Consensus
[pKd Mean = 4.94] | - | 503
(s=209) | 12
(s=15) | MPDTLRHARVIILGSGPAGYSAAVYAARANLKPLLITGMQAGGQLTTTTEVDNWPGDPHGLTGPALMQRMQEHAERFETEIVFDHIHAVDLAGKPFTLRGDNGTYTCDALIVATGASARYLGLPSEQAFMGKGVSACATCDGFFYRNREVAVIGGGNTAVEEALYLANIASRVTLVHRRETFRAEKILQDKLQARVAEGKIVLKLNAEVDEVLGDTMGVTGVRLKTRDGGSEEIAVDGMFVAIGHTPNTSLFEGQLALKDGYLVVNGGREGNATATNVPGVFAAGDVADHVYRQAITSAGAGCMAALDVERYLDSL |