| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ACP_A_7(4H1W) / Model_32(4H1W/A) = [3.1]
| Download | 534.05 | 7.70 | MPVRAVATGFRATATLTGASITAATAVSATLAKTGVGTGMKVAIIPLRAGAKALSGELSRETLGRNCWRGERRAWIEVRGLRSGGDDELGRVVLNAIQAHPGVGSASLNYPLSRVVVAIDDPDTSLRELCRIVDDAEKAERHRHPDQAADQLAQSPGSLPGDGVLLAVRAVTVAATAAGLGLALGGRALRWPRFPLVIEAAVAAVDHQPLLRRLLEDRIGTEATATVLELAMAAAHTVTLSPAALSVDLTIQALKAAECRAGARAWRRHEPQLALHADEPADQPQSLWPRPARSTQPVQRSVARFALIQALSAVLVGAGTRDADMAATATLVATPKASRTTPEAFAAALGQGLADQHAVLPLRPESLRRLDRVDAIVIDPRVLCTDDLRVARIRGCGADELSTAWNRAQLVLTESGLRPGWHRVPGVSASGSDSAVEALFRPMHDRLASAVVAEAHRTGADLVSVDVDALGELRPVFDDIRPLDDGASGSLDEALARAVAELRQAGRTVAVLSSVGKQALSAADVALGVLPPPGAGAPPWYADVLLPDLGAAWRVLHAIPAARAARQRGNEISGGASALGALLMLPGVRGLGPGPVTTGAAAGLLSGYLLARKVVDAQAPRPAPAHEWHAMSVEQVRKALPSPDEQAPAKAPPSPYPARALAGGLHTAKRGAQITQAPLNALWQLTKAMRAELSDPLTPMLALGAMASAVLGSPVDAVMVGSVLTGNSILAASQRLRAESRLNRLLAQQIPPARKVLAGADDQPRYIEVRAEELRPGDIIEVRTHEVVPADARVIEEVDVEVDESALTGESLSVTKQVEPTPGVDLIERRCMLYAGTTVVSGTAVAVVTAVGPDTQERRAAELVSGDLSSVGLQHQLSRLTNQAWPVSMTGGALVTGLGLLRRRGLRQAVASGIAVTVAAVPEGMPLVATLAQQASARRLSHFGALVRIPRSVEALGRVDMVCFDKTGTLSENRLRVAQVRPVAGHSREEVLRCAAHAAPASNGPQVHATDVAIVQAAAAAAASGTDGAEPGAAEPAAHLPFRSGRSFSASVSGTELTVKGAPEVVLAACEGIGSSMDDAVAELAANGLRVIAVAHRQLTAQQAQSVVDDPDEIARLCRDELSLVGFLGLSDTPRAQAAALLADLHEHDLDIRLITGDHPITAAAIAEELGMQVSPEQVISGAEWDALSRKDQERAVAERVIFARMTPENKVQIVQTLEHSGRVCAMVGDGSNDAAAIRAATVGIGVVAHGSDPARVAADLVLVDGRIESLLPAILEGRQLWQRVQAAVSVLLGGNAGEVAFAIIGSAITGTSPLNTRQLLLVNMLTDALPAAALAVSKPSDPVTPATRGPDQRELWRAVGIRGATTAAAATVAWVMAGFTGLPRRASTVALVALVAAQLGQTLVDSHAWLVVLTALGSLAALATLISIPVVSQLLGCTPLDPLGWAQATAAATAATVAVAVLNRVLTGRDKSGQPNPQPPETDALSRDASPGAPPGPRRRRRATARRKAPVKAPSATRQTTKPKGPPAHRSSSTYPRR |
| Complex: TM1_A_5(3AR8) / Model_52(3AR8/A) = [3.1]
| Download | 1404.88 | 28.70 | MPVRAVATGFRATATLTGASITAATAVSATLAKTGVGTGMKVAIIPLRAGAKALSGELSRETLGRNCWRGERRAWIEVRGLRSGGDDELGRVVLNAIQAHPGVGSASLNYPLSRVVVAIDDPDTSLRELCRIVDDAEKAERHRHPDQAADQLAQSPGSLPGDGVLLAVRAVTVAATAAGLGLALGGRALRWPRFPLVIEAAVAAVDHQPLLRRLLEDRIGTEATATVLELAMAAAHTVTLSPAALSVDLTIQALKAAECRAGARAWRRHEPQLALHADEPADQPQSLWPRPARSTQPVQRSVARFALIQALSAVLVGAGTRDADMAATATLVATPKASRTTPEAFAAALGQGLADQHAVLPLRPESLRRLDRVDAIVIDPRVLCTDDLRVARIRGCGADELSTAWNRAQLVLTESGLRPGWHRVPGVSASGSDSAVEALFRPMHDRLASAVVAEAHRTGADLVSVDVDALGELRPVFDDIRPLDDGASGSLDEALARAVAELRQAGRTVAVLSSVGKQALSAADVALGVLPPPGAGAPPWYADVLLPDLGAAWRVLHAIPAARAARQRGNEISGGASALGALLMLPGVRGLGPGPVTTGAAAGLLSGYLLARKVVDAQAPRPAPAHEWHAMSVEQVRKALPSPDEQAPAKAPPSPYPARALAGGLHTAKRGAQITQAPLNALWQLTKAMRAELSDPLTPMLALGAMASAVLGSPVDAVMVGSVLTGNSILAASQRLRAESRLNRLLAQQIPPARKVLAGADDQPRYIEVRAEELRPGDIIEVRTHEVVPADARVIEEVDVEVDESALTGESLSVTKQVEPTPGVDLIERRCMLYAGTTVVSGTAVAVVTAVGPDTQERRAAELVSGDLSSVGLQHQLSRLTNQAWPVSMTGGALVTGLGLLRRRGLRQAVASGIAVTVAAVPEGMPLVATLAQQASARRLSHFGALVRIPRSVEALGRVDMVCFDKTGTLSENRLRVAQVRPVAGHSREEVLRCAAHAAPASNGPQVHATDVAIVQAAAAAAASGTDGAEPGAAEPAAHLPFRSGRSFSASVSGTELTVKGAPEVVLAACEGIGSSMDDAVAELAANGLRVIAVAHRQLTAQQAQSVVDDPDEIARLCRDELSLVGFLGLSDTPRAQAAALLADLHEHDLDIRLITGDHPITAAAIAEELGMQVSPEQVISGAEWDALSRKDQERAVAERVIFARMTPENKVQIVQTLEHSGRVCAMVGDGSNDAAAIRAATVGIGVVAHGSDPARVAADLVLVDGRIESLLPAILEGRQLWQRVQAAVSVLLGGNAGEVAFAIIGSAITGTSPLNTRQLLLVNMLTDALPAAALAVSKPSDPVTPATRGPDQRELWRAVGIRGATTAAAATVAWVMAGFTGLPRRASTVALVALVAAQLGQTLVDSHAWLVVLTALGSLAALATLISIPVVSQLLGCTPLDPLGWAQATAAATAATVAVAVLNRVLTGRDKSGQPNPQPPETDALSRDASPGAPPGPRRRRRATARRKAPVKAPSATRQTTKPKGPPAHRSSSTYPRR |
| Complex: ACP_A_3(2C88) / Model_75(2C88/A) = [3.1]
| Download | 1189.95 | -0.53 | MPVRAVATGFRATATLTGASITAATAVSATLAKTGVGTGMKVAIIPLRAGAKALSGELSRETLGRNCWRGERRAWIEVRGLRSGGDDELGRVVLNAIQAHPGVGSASLNYPLSRVVVAIDDPDTSLRELCRIVDDAEKAERHRHPDQAADQLAQSPGSLPGDGVLLAVRAVTVAATAAGLGLALGGRALRWPRFPLVIEAAVAAVDHQPLLRRLLEDRIGTEATATVLELAMAAAHTVTLSPAALSVDLTIQALKAAECRAGARAWRRHEPQLALHADEPADQPQSLWPRPARSTQPVQRSVARFALIQALSAVLVGAGTRDADMAATATLVATPKASRTTPEAFAAALGQGLADQHAVLPLRPESLRRLDRVDAIVIDPRVLCTDDLRVARIRGCGADELSTAWNRAQLVLTESGLRPGWHRVPGVSASGSDSAVEALFRPMHDRLASAVVAEAHRTGADLVSVDVDALGELRPVFDDIRPLDDGASGSLDEALARAVAELRQAGRTVAVLSSVGKQALSAADVALGVLPPPGAGAPPWYADVLLPDLGAAWRVLHAIPAARAARQRGNEISGGASALGALLMLPGVRGLGPGPVTTGAAAGLLSGYLLARKVVDAQAPRPAPAHEWHAMSVEQVRKALPSPDEQAPAKAPPSPYPARALAGGLHTAKRGAQITQAPLNALWQLTKAMRAELSDPLTPMLALGAMASAVLGSPVDAVMVGSVLTGNSILAASQRLRAESRLNRLLAQQIPPARKVLAGADDQPRYIEVRAEELRPGDIIEVRTHEVVPADARVIEEVDVEVDESALTGESLSVTKQVEPTPGVDLIERRCMLYAGTTVVSGTAVAVVTAVGPDTQERRAAELVSGDLSSVGLQHQLSRLTNQAWPVSMTGGALVTGLGLLRRRGLRQAVASGIAVTVAAVPEGMPLVATLAQQASARRLSHFGALVRIPRSVEALGRVDMVCFDKTGTLSENRLRVAQVRPVAGHSREEVLRCAAHAAPASNGPQVHATDVAIVQAAAAAAASGTDGAEPGAAEPAAHLPFRSGRSFSASVSGTELTVKGAPEVVLAACEGIGSSMDDAVAELAANGLRVIAVAHRQLTAQQAQSVVDDPDEIARLCRDELSLVGFLGLSDTPRAQAAALLADLHEHDLDIRLITGDHPITAAAIAEELGMQVSPEQVISGAEWDALSRKDQERAVAERVIFARMTPENKVQIVQTLEHSGRVCAMVGDGSNDAAAIRAATVGIGVVAHGSDPARVAADLVLVDGRIESLLPAILEGRQLWQRVQAAVSVLLGGNAGEVAFAIIGSAITGTSPLNTRQLLLVNMLTDALPAAALAVSKPSDPVTPATRGPDQRELWRAVGIRGATTAAAATVAWVMAGFTGLPRRASTVALVALVAAQLGQTLVDSHAWLVVLTALGSLAALATLISIPVVSQLLGCTPLDPLGWAQATAAATAATVAVAVLNRVLTGRDKSGQPNPQPPETDALSRDASPGAPPGPRRRRRATARRKAPVKAPSATRQTTKPKGPPAHRSSSTYPRR |
| Complex: TM1_A_5(3W5B) / Model_93(3W5B/A) = [3.6]
| Download | 1642.01 | 9.19 | MPVRAVATGFRATATLTGASITAATAVSATLAKTGVGTGMKVAIIPLRAGAKALSGELSRETLGRNCWRGERRAWIEVRGLRSGGDDELGRVVLNAIQAHPGVGSASLNYPLSRVVVAIDDPDTSLRELCRIVDDAEKAERHRHPDQAADQLAQSPGSLPGDGVLLAVRAVTVAATAAGLGLALGGRALRWPRFPLVIEAAVAAVDHQPLLRRLLEDRIGTEATATVLELAMAAAHTVTLSPAALSVDLTIQALKAAECRAGARAWRRHEPQLALHADEPADQPQSLWPRPARSTQPVQRSVARFALIQALSAVLVGAGTRDADMAATATLVATPKASRTTPEAFAAALGQGLADQHAVLPLRPESLRRLDRVDAIVIDPRVLCTDDLRVARIRGCGADELSTAWNRAQLVLTESGLRPGWHRVPGVSASGSDSAVEALFRPMHDRLASAVVAEAHRTGADLVSVDVDALGELRPVFDDIRPLDDGASGSLDEALARAVAELRQAGRTVAVLSSVGKQALSAADVALGVLPPPGAGAPPWYADVLLPDLGAAWRVLHAIPAARAARQRGNEISGGASALGALLMLPGVRGLGPGPVTTGAAAGLLSGYLLARKVVDAQAPRPAPAHEWHAMSVEQVRKALPSPDEQAPAKAPPSPYPARALAGGLHTAKRGAQITQAPLNALWQLTKAMRAELSDPLTPMLALGAMASAVLGSPVDAVMVGSVLTGNSILAASQRLRAESRLNRLLAQQIPPARKVLAGADDQPRYIEVRAEELRPGDIIEVRTHEVVPADARVIEEVDVEVDESALTGESLSVTKQVEPTPGVDLIERRCMLYAGTTVVSGTAVAVVTAVGPDTQERRAAELVSGDLSSVGLQHQLSRLTNQAWPVSMTGGALVTGLGLLRRRGLRQAVASGIAVTVAAVPEGMPLVATLAQQASARRLSHFGALVRIPRSVEALGRVDMVCFDKTGTLSENRLRVAQVRPVAGHSREEVLRCAAHAAPASNGPQVHATDVAIVQAAAAAAASGTDGAEPGAAEPAAHLPFRSGRSFSASVSGTELTVKGAPEVVLAACEGIGSSMDDAVAELAANGLRVIAVAHRQLTAQQAQSVVDDPDEIARLCRDELSLVGFLGLSDTPRAQAAALLADLHEHDLDIRLITGDHPITAAAIAEELGMQVSPEQVISGAEWDALSRKDQERAVAERVIFARMTPENKVQIVQTLEHSGRVCAMVGDGSNDAAAIRAATVGIGVVAHGSDPARVAADLVLVDGRIESLLPAILEGRQLWQRVQAAVSVLLGGNAGEVAFAIIGSAITGTSPLNTRQLLLVNMLTDALPAAALAVSKPSDPVTPATRGPDQRELWRAVGIRGATTAAAATVAWVMAGFTGLPRRASTVALVALVAAQLGQTLVDSHAWLVVLTALGSLAALATLISIPVVSQLLGCTPLDPLGWAQATAAATAATVAVAVLNRVLTGRDKSGQPNPQPPETDALSRDASPGAPPGPRRRRRATARRKAPVKAPSATRQTTKPKGPPAHRSSSTYPRR |
| Complex: ACP_A_6(3TLM) / Model_94(3TLM/A) = [3.7]
| Download | 924.17 | 14.29 | MPVRAVATGFRATATLTGASITAATAVSATLAKTGVGTGMKVAIIPLRAGAKALSGELSRETLGRNCWRGERRAWIEVRGLRSGGDDELGRVVLNAIQAHPGVGSASLNYPLSRVVVAIDDPDTSLRELCRIVDDAEKAERHRHPDQAADQLAQSPGSLPGDGVLLAVRAVTVAATAAGLGLALGGRALRWPRFPLVIEAAVAAVDHQPLLRRLLEDRIGTEATATVLELAMAAAHTVTLSPAALSVDLTIQALKAAECRAGARAWRRHEPQLALHADEPADQPQSLWPRPARSTQPVQRSVARFALIQALSAVLVGAGTRDADMAATATLVATPKASRTTPEAFAAALGQGLADQHAVLPLRPESLRRLDRVDAIVIDPRVLCTDDLRVARIRGCGADELSTAWNRAQLVLTESGLRPGWHRVPGVSASGSDSAVEALFRPMHDRLASAVVAEAHRTGADLVSVDVDALGELRPVFDDIRPLDDGASGSLDEALARAVAELRQAGRTVAVLSSVGKQALSAADVALGVLPPPGAGAPPWYADVLLPDLGAAWRVLHAIPAARAARQRGNEISGGASALGALLMLPGVRGLGPGPVTTGAAAGLLSGYLLARKVVDAQAPRPAPAHEWHAMSVEQVRKALPSPDEQAPAKAPPSPYPARALAGGLHTAKRGAQITQAPLNALWQLTKAMRAELSDPLTPMLALGAMASAVLGSPVDAVMVGSVLTGNSILAASQRLRAESRLNRLLAQQIPPARKVLAGADDQPRYIEVRAEELRPGDIIEVRTHEVVPADARVIEEVDVEVDESALTGESLSVTKQVEPTPGVDLIERRCMLYAGTTVVSGTAVAVVTAVGPDTQERRAAELVSGDLSSVGLQHQLSRLTNQAWPVSMTGGALVTGLGLLRRRGLRQAVASGIAVTVAAVPEGMPLVATLAQQASARRLSHFGALVRIPRSVEALGRVDMVCFDKTGTLSENRLRVAQVRPVAGHSREEVLRCAAHAAPASNGPQVHATDVAIVQAAAAAAASGTDGAEPGAAEPAAHLPFRSGRSFSASVSGTELTVKGAPEVVLAACEGIGSSMDDAVAELAANGLRVIAVAHRQLTAQQAQSVVDDPDEIARLCRDELSLVGFLGLSDTPRAQAAALLADLHEHDLDIRLITGDHPITAAAIAEELGMQVSPEQVISGAEWDALSRKDQERAVAERVIFARMTPENKVQIVQTLEHSGRVCAMVGDGSNDAAAIRAATVGIGVVAHGSDPARVAADLVLVDGRIESLLPAILEGRQLWQRVQAAVSVLLGGNAGEVAFAIIGSAITGTSPLNTRQLLLVNMLTDALPAAALAVSKPSDPVTPATRGPDQRELWRAVGIRGATTAAAATVAWVMAGFTGLPRRASTVALVALVAAQLGQTLVDSHAWLVVLTALGSLAALATLISIPVVSQLLGCTPLDPLGWAQATAAATAATVAVAVLNRVLTGRDKSGQPNPQPPETDALSRDASPGAPPGPRRRRRATARRKAPVKAPSATRQTTKPKGPPAHRSSSTYPRR |
Consensus
[pKd Mean = 3.32] | - | 1139
(s=384) | 11
(s=9) | MPVRAVATGFRATATLTGASITAATAVSATLAKTGVGTGMKVAIIPLRAGAKALSGELSRETLGRNCWRGERRAWIEVRGLRSGGDDELGRVVLNAIQAHPGVGSASLNYPLSRVVVAIDDPDTSLRELCRIVDDAEKAERHRHPDQAADQLAQSPGSLPGDGVLLAVRAVTVAATAAGLGLALGGRALRWPRFPLVIEAAVAAVDHQPLLRRLLEDRIGTEATATVLELAMAAAHTVTLSPAALSVDLTIQALKAAECRAGARAWRRHEPQLALHADEPADQPQSLWPRPARSTQPVQRSVARFALIQALSAVLVGAGTRDADMAATATLVATPKASRTTPEAFAAALGQGLADQHAVLPLRPESLRRLDRVDAIVIDPRVLCTDDLRVARIRGCGADELSTAWNRAQLVLTESGLRPGWHRVPGVSASGSDSAVEALFRPMHDRLASAVVAEAHRTGADLVSVDVDALGELRPVFDDIRPLDDGASGSLDEALARAVAELRQAGRTVAVLSSVGKQALSAADVALGVLPPPGAGAPPWYADVLLPDLGAAWRVLHAIPAARAARQRGNEISGGASALGALLMLPGVRGLGPGPVTTGAAAGLLSGYLLARKVVDAQAPRPAPAHEWHAMSVEQVRKALPSPDEQAPAKAPPSPYPARALAGGLHTAKRGAQITQAPLNALWQLTKAMRAELSDPLTPMLALGAMASAVLGSPVDAVMVGSVLTGNSILAASQRLRAESRLNRLLAQQIPPARKVLAGADDQPRYIEVRAEELRPGDIIEVRTHEVVPADARVIEEVDVEVDESALTGESLSVTKQVEPTPGVDLIERRCMLYAGTTVVSGTAVAVVTAVGPDTQERRAAELVSGDLSSVGLQHQLSRLTNQAWPVSMTGGALVTGLGLLRRRGLRQAVASGIAVTVAAVPEGMPLVATLAQQASARRLSHFGALVRIPRSVEALGRVDMVCFDKTGTLSENRLRVAQVRPVAGHSREEVLRCAAHAAPASNGPQVHATDVAIVQAAAAAAASGTDGAEPGAAEPAAHLPFRSGRSFSASVSGTELTVKGAPEVVLAACEGIGSSMDDAVAELAANGLRVIAVAHRQLTAQQAQSVVDDPDEIARLCRDELSLVGFLGLSDTPRAQAAALLADLHEHDLDIRLITGDHPITAAAIAEELGMQVSPEQVISGAEWDALSRKDQERAVAERVIFARMTPENKVQIVQTLEHSGRVCAMVGDGSNDAAAIRAATVGIGVVAHGSDPARVAADLVLVDGRIESLLPAILEGRQLWQRVQAAVSVLLGGNAGEVAFAIIGSAITGTSPLNTRQLLLVNMLTDALPAAALAVSKPSDPVTPATRGPDQRELWRAVGIRGATTAAAATVAWVMAGFTGLPRRASTVALVALVAAQLGQTLVDSHAWLVVLTALGSLAALATLISIPVVSQLLGCTPLDPLGWAQATAAATAATVAVAVLNRVLTGRDKSGQPNPQPPETDALSRDASPGAPPGPRRRRRATARRKAPVKAPSATRQTTKPKGPPAHRSSSTYPRR |