| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: TLA_A_3(4MRQ) / Model_1(4MRQ/A) = [3.7]
| Download | 663.53 | -16.33 | MDISIFREYDIRGIYPTTLDENTAFSIGVELGKIMREYDKSVFVGHDARVHGRFLFEVLSAGLQSSGLKVYDLGLIPTPVAYFAAFNEIDNIQCPNSIMITGSHNPKEYNGFKITLNQNPFYGKDIQALKNTLLNAKHEIKPLKETPEKVNALEAYHRYLIKDFKHLKNLKYKIALDFGNGVGALGLEPILKALNIDFSSLYSDPDGDFPNHHPDPSEAKNLKDLEKHMRENAILIGFAFDGDADRIAMLSSHHIYAGDELAILFAKRLHAQGITPFVIGEVKCSQVMYNAINTFGKTLMYKTGHSNLKIKLKETNAHFAAEMSGHIFFKERYFGYDDALYACLRALELLLEQSPSDLENTIKNLPYSYTTPEEKIAVSEEEKFEIIRNLQEALKNPPSHFPTIKEIISIDGVRVVFEHGFGLIRASNTTPYLVSRFEGKDETTALEYKRALLGLLEKL |
| Complex: G16_A_2(2FKF) / Model_9(2FKF/A) = [4.2]
| Download | 1254.99 | -8.67 | MDISIFREYDIRGIYPTTLDENTAFSIGVELGKIMREYDKSVFVGHDARVHGRFLFEVLSAGLQSSGLKVYDLGLIPTPVAYFAAFNEIDNIQCPNSIMITGSHNPKEYNGFKITLNQNPFYGKDIQALKNTLLNAKHEIKPLKETPEKVNALEAYHRYLIKDFKHLKNLKYKIALDFGNGVGALGLEPILKALNIDFSSLYSDPDGDFPNHHPDPSEAKNLKDLEKHMRENAILIGFAFDGDADRIAMLSSHHIYAGDELAILFAKRLHAQGITPFVIGEVKCSQVMYNAINTFGKTLMYKTGHSNLKIKLKETNAHFAAEMSGHIFFKERYFGYDDALYACLRALELLLEQSPSDLENTIKNLPYSYTTPEEKIAVSEEEKFEIIRNLQEALKNPPSHFPTIKEIISIDGVRVVFEHGFGLIRASNTTPYLVSRFEGKDETTALEYKRALLGLLEKL |
| Complex: R1P_X_2(2H4L) / Model_7(2H4L/X) = [4.2]
| Download | 520.71 | -9.26 | MDISIFREYDIRGIYPTTLDENTAFSIGVELGKIMREYDKSVFVGHDARVHGRFLFEVLSAGLQSSGLKVYDLGLIPTPVAYFAAFNEIDNIQCPNSIMITGSHNPKEYNGFKITLNQNPFYGKDIQALKNTLLNAKHEIKPLKETPEKVNALEAYHRYLIKDFKHLKNLKYKIALDFGNGVGALGLEPILKALNIDFSSLYSDPDGDFPNHHPDPSEAKNLKDLEKHMRENAILIGFAFDGDADRIAMLSSHHIYAGDELAILFAKRLHAQGITPFVIGEVKCSQVMYNAINTFGKTLMYKTGHSNLKIKLKETNAHFAAEMSGHIFFKERYFGYDDALYACLRALELLLEQSPSDLENTIKNLPYSYTTPEEKIAVSEEEKFEIIRNLQEALKNPPSHFPTIKEIISIDGVRVVFEHGFGLIRASNTTPYLVSRFEGKDETTALEYKRALLGLLEKL |
| Complex: M1P_X_2(1PCJ) / Model_5(1PCJ/X) = [4.9]
| Download | 543.17 | -10.04 | MDISIFREYDIRGIYPTTLDENTAFSIGVELGKIMREYDKSVFVGHDARVHGRFLFEVLSAGLQSSGLKVYDLGLIPTPVAYFAAFNEIDNIQCPNSIMITGSHNPKEYNGFKITLNQNPFYGKDIQALKNTLLNAKHEIKPLKETPEKVNALEAYHRYLIKDFKHLKNLKYKIALDFGNGVGALGLEPILKALNIDFSSLYSDPDGDFPNHHPDPSEAKNLKDLEKHMRENAILIGFAFDGDADRIAMLSSHHIYAGDELAILFAKRLHAQGITPFVIGEVKCSQVMYNAINTFGKTLMYKTGHSNLKIKLKETNAHFAAEMSGHIFFKERYFGYDDALYACLRALELLLEQSPSDLENTIKNLPYSYTTPEEKIAVSEEEKFEIIRNLQEALKNPPSHFPTIKEIISIDGVRVVFEHGFGLIRASNTTPYLVSRFEGKDETTALEYKRALLGLLEKL |
| Complex: G1P_X_2(3BKQ) / Model_12(3BKQ/X) = [5.0]
| Download | 615.15 | -12.40 | MDISIFREYDIRGIYPTTLDENTAFSIGVELGKIMREYDKSVFVGHDARVHGRFLFEVLSAGLQSSGLKVYDLGLIPTPVAYFAAFNEIDNIQCPNSIMITGSHNPKEYNGFKITLNQNPFYGKDIQALKNTLLNAKHEIKPLKETPEKVNALEAYHRYLIKDFKHLKNLKYKIALDFGNGVGALGLEPILKALNIDFSSLYSDPDGDFPNHHPDPSEAKNLKDLEKHMRENAILIGFAFDGDADRIAMLSSHHIYAGDELAILFAKRLHAQGITPFVIGEVKCSQVMYNAINTFGKTLMYKTGHSNLKIKLKETNAHFAAEMSGHIFFKERYFGYDDALYACLRALELLLEQSPSDLENTIKNLPYSYTTPEEKIAVSEEEKFEIIRNLQEALKNPPSHFPTIKEIISIDGVRVVFEHGFGLIRASNTTPYLVSRFEGKDETTALEYKRALLGLLEKL |
Consensus
[pKd Mean = 4.40] | - | 719
(s=272) | -11
(s=2) | MDISIFREYDIRGIYPTTLDENTAFSIGVELGKIMREYDKSVFVGHDARVHGRFLFEVLSAGLQSSGLKVYDLGLIPTPVAYFAAFNEIDNIQCPNSIMITGSHNPKEYNGFKITLNQNPFYGKDIQALKNTLLNAKHEIKPLKETPEKVNALEAYHRYLIKDFKHLKNLKYKIALDFGNGVGALGLEPILKALNIDFSSLYSDPDGDFPNHHPDPSEAKNLKDLEKHMRENAILIGFAFDGDADRIAMLSSHHIYAGDELAILFAKRLHAQGITPFVIGEVKCSQVMYNAINTFGKTLMYKTGHSNLKIKLKETNAHFAAEMSGHIFFKERYFGYDDALYACLRALELLLEQSPSDLENTIKNLPYSYTTPEEKIAVSEEEKFEIIRNLQEALKNPPSHFPTIKEIISIDGVRVVFEHGFGLIRASNTTPYLVSRFEGKDETTALEYKRALLGLLEKL |