| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: 1PE_A_5(3ETC) / Model_51(3ETC/A) = [3.2]
| Download | 903.41 | 34.00 | MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIGAFRDVSTADKLITLSIGENDAGWKNLLSIEADGSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYHGRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLSTPALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA |
| Complex: GOL_B_23(3ETC) / Model_21(3ETC/B) = [4.0]
| Download | 469.36 | 7.06 | MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIGAFRDVSTADKLITLSIGENDAGWKNLLSIEADGSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYHGRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLSTPALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA |
| Complex: COA_A_4(3GPC) / Model_7(3GPC/A) = [5.3]
| Download | 1839.49 | 20.85 | MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIGAFRDVSTADKLITLSIGENDAGWKNLLSIEADGSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYHGRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLSTPALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA |
| Complex: AMP_B_5(3EQ6) / Model_25(3EQ6/B) = [5.5]
| Download | 914.29 | 19.46 | MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIGAFRDVSTADKLITLSIGENDAGWKNLLSIEADGSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYHGRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLSTPALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA |
| Complex: AMP_A_3(3EQ6) / Model_6(3EQ6/A) = [5.8]
| Download | 855.32 | 19.46 | MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIGAFRDVSTADKLITLSIGENDAGWKNLLSIEADGSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYHGRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLSTPALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA |
Consensus
[pKd Mean = 4.76] | - | 996
(s=452) | 20
(s=8) | MLKREDLIAPVQYNLVNEMEKFSAAGQKTALLWEDESGKQESWSYEKLMEETNKIGAALADLGFKKGDKLIVMVPRVLEAYAVYLAILKSGMVVIPCSEMLRAKDLEYRIEHAEVKGAIVYSEFIGAFRDVSTADKLITLSIGENDAGWKNLLSIEADGSQFKTADTTRDDMAFLSYTSGTTGQPKGVVHTHGWAFAHLKTSAGAWLDISEKDIVWATAAPGWQKWVWSPFLAVLGSGATGFVYHGRFKAEKYLELLNRYKINVFCCTPTEYRLMAKVEGLKRFDLSALHSAVSAGEPLNREVIDVFQKHFGIKVRDGYGQTESTLLVGVLKDTPIKPGSMGKPTPGNQVEIINEDGEICKPGEVGDIAVHLSTPALFKEYFKDPERMKTQIRGDYFLTGDRARKDEEGYFWFESRNDDIIISSGYTIGPFEVEDALVKHPEVKECAVVASPDEIRGSIVKAYVVLQNHEKRSDELVKMLQNHVKTITAPYKYPREIEFVESLPKTASAKIRRVELRKREEQLKANKKA |