| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: EDO_A_11(4Q6J) / Model_16(4Q6J/A) = [3.4]
| Download | 445.37 | 24.80 | MSAPAEPLRLLLLADTPDWAPLLGERLRALGPAFSLSIVTTWEGAATLFAAEPRGLLLATPACLPLGTPCPWPVILLLQQEPAQAPVGVVDWLAAEQLSEDSLRRCLRYARERLGLQATLQLLAEQDPLTGIANRQGFQTLLAARLSEFDGRGLVLGHLDLDNFRHVNDSLGHQGGDRLILQVVNRLRGFMENGDSLARLGSDEFALLLDTRRDPQRAERVAERIVECLGEPYWIDGESLLLGCSLGLAHARADEGADPLMWHAHIAMQQAKSRQGCTFHVFDERINRGVRSLADLEAELRRALRRDELELHYQPRLCLDSGRIVGLEALVRWRHGERGLLTPSEFVPLAEESGLIVPLGYWVIARALRDMQWLNGRGLEPLHMAVNLSFRQFQDSQLLPTLQRLIEEHGVDARWLEFELTETAVMRRSDQVLQTMQALGQLGVRFSLDDFGTGFSSFVHLNSLPITLLKIDRSFVGGMDQRAENFQLVRAMINLAHNLNLEVVAEGVETLRQQEQLRDFGCDQVQGYWISPPLPLAELARFLGIGERSAHRGQPLGN |
| Complex: C2E_A_4(4RNH) / Model_1(4RNH/A) = [7.7]
| Download | 1957.55 | 27.03 | MSAPAEPLRLLLLADTPDWAPLLGERLRALGPAFSLSIVTTWEGAATLFAAEPRGLLLATPACLPLGTPCPWPVILLLQQEPAQAPVGVVDWLAAEQLSEDSLRRCLRYARERLGLQATLQLLAEQDPLTGIANRQGFQTLLAARLSEFDGRGLVLGHLDLDNFRHVNDSLGHQGGDRLILQVVNRLRGFMENGDSLARLGSDEFALLLDTRRDPQRAERVAERIVECLGEPYWIDGESLLLGCSLGLAHARADEGADPLMWHAHIAMQQAKSRQGCTFHVFDERINRGVRSLADLEAELRRALRRDELELHYQPRLCLDSGRIVGLEALVRWRHGERGLLTPSEFVPLAEESGLIVPLGYWVIARALRDMQWLNGRGLEPLHMAVNLSFRQFQDSQLLPTLQRLIEEHGVDARWLEFELTETAVMRRSDQVLQTMQALGQLGVRFSLDDFGTGFSSFVHLNSLPITLLKIDRSFVGGMDQRAENFQLVRAMINLAHNLNLEVVAEGVETLRQQEQLRDFGCDQVQGYWISPPLPLAELARFLGIGERSAHRGQPLGN |
| Complex: C2E_A_3(3N3T) / Model_6(3N3T/A) = [7.8]
| Download | 1656.64 | 30.40 | MSAPAEPLRLLLLADTPDWAPLLGERLRALGPAFSLSIVTTWEGAATLFAAEPRGLLLATPACLPLGTPCPWPVILLLQQEPAQAPVGVVDWLAAEQLSEDSLRRCLRYARERLGLQATLQLLAEQDPLTGIANRQGFQTLLAARLSEFDGRGLVLGHLDLDNFRHVNDSLGHQGGDRLILQVVNRLRGFMENGDSLARLGSDEFALLLDTRRDPQRAERVAERIVECLGEPYWIDGESLLLGCSLGLAHARADEGADPLMWHAHIAMQQAKSRQGCTFHVFDERINRGVRSLADLEAELRRALRRDELELHYQPRLCLDSGRIVGLEALVRWRHGERGLLTPSEFVPLAEESGLIVPLGYWVIARALRDMQWLNGRGLEPLHMAVNLSFRQFQDSQLLPTLQRLIEEHGVDARWLEFELTETAVMRRSDQVLQTMQALGQLGVRFSLDDFGTGFSSFVHLNSLPITLLKIDRSFVGGMDQRAENFQLVRAMINLAHNLNLEVVAEGVETLRQQEQLRDFGCDQVQGYWISPPLPLAELARFLGIGERSAHRGQPLGN |
| Complex: NACID_C_3(3U2E) / Model_11(3U2E/A) = [8.1]
| Download | - | - | MSAPAEPLRLLLLADTPDWAPLLGERLRALGPAFSLSIVTTWEGAATLFAAEPRGLLLATPACLPLGTPCPWPVILLLQQEPAQAPVGVVDWLAAEQLSEDSLRRCLRYARERLGLQATLQLLAEQDPLTGIANRQGFQTLLAARLSEFDGRGLVLGHLDLDNFRHVNDSLGHQGGDRLILQVVNRLRGFMENGDSLARLGSDEFALLLDTRRDPQRAERVAERIVECLGEPYWIDGESLLLGCSLGLAHARADEGADPLMWHAHIAMQQAKSRQGCTFHVFDERINRGVRSLADLEAELRRALRRDELELHYQPRLCLDSGRIVGLEALVRWRHGERGLLTPSEFVPLAEESGLIVPLGYWVIARALRDMQWLNGRGLEPLHMAVNLSFRQFQDSQLLPTLQRLIEEHGVDARWLEFELTETAVMRRSDQVLQTMQALGQLGVRFSLDDFGTGFSSFVHLNSLPITLLKIDRSFVGGMDQRAENFQLVRAMINLAHNLNLEVVAEGVETLRQQEQLRDFGCDQVQGYWISPPLPLAELARFLGIGERSAHRGQPLGN |
| Complex: C2E_A_4(4HJF) / Model_9(4HJF/A) = [9.2]
| Download | 1385.13 | 27.25 | MSAPAEPLRLLLLADTPDWAPLLGERLRALGPAFSLSIVTTWEGAATLFAAEPRGLLLATPACLPLGTPCPWPVILLLQQEPAQAPVGVVDWLAAEQLSEDSLRRCLRYARERLGLQATLQLLAEQDPLTGIANRQGFQTLLAARLSEFDGRGLVLGHLDLDNFRHVNDSLGHQGGDRLILQVVNRLRGFMENGDSLARLGSDEFALLLDTRRDPQRAERVAERIVECLGEPYWIDGESLLLGCSLGLAHARADEGADPLMWHAHIAMQQAKSRQGCTFHVFDERINRGVRSLADLEAELRRALRRDELELHYQPRLCLDSGRIVGLEALVRWRHGERGLLTPSEFVPLAEESGLIVPLGYWVIARALRDMQWLNGRGLEPLHMAVNLSFRQFQDSQLLPTLQRLIEEHGVDARWLEFELTETAVMRRSDQVLQTMQALGQLGVRFSLDDFGTGFSSFVHLNSLPITLLKIDRSFVGGMDQRAENFQLVRAMINLAHNLNLEVVAEGVETLRQQEQLRDFGCDQVQGYWISPPLPLAELARFLGIGERSAHRGQPLGN |
Consensus
[pKd Mean = 7.24] | - | 1361
(s=566) | 27
(s=2) | MSAPAEPLRLLLLADTPDWAPLLGERLRALGPAFSLSIVTTWEGAATLFAAEPRGLLLATPACLPLGTPCPWPVILLLQQEPAQAPVGVVDWLAAEQLSEDSLRRCLRYARERLGLQATLQLLAEQDPLTGIANRQGFQTLLAARLSEFDGRGLVLGHLDLDNFRHVNDSLGHQGGDRLILQVVNRLRGFMENGDSLARLGSDEFALLLDTRRDPQRAERVAERIVECLGEPYWIDGESLLLGCSLGLAHARADEGADPLMWHAHIAMQQAKSRQGCTFHVFDERINRGVRSLADLEAELRRALRRDELELHYQPRLCLDSGRIVGLEALVRWRHGERGLLTPSEFVPLAEESGLIVPLGYWVIARALRDMQWLNGRGLEPLHMAVNLSFRQFQDSQLLPTLQRLIEEHGVDARWLEFELTETAVMRRSDQVLQTMQALGQLGVRFSLDDFGTGFSSFVHLNSLPITLLKIDRSFVGGMDQRAENFQLVRAMINLAHNLNLEVVAEGVETLRQQEQLRDFGCDQVQGYWISPPLPLAELARFLGIGERSAHRGQPLGN |