| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: UMA_A_7(1P3D) / Model_25(1P3D/A) = [4.1]
| Download | 1669.24 | 3.13 | MSTEQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRARGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVLRPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELGEAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVEAYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPGETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNALGALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYAHHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNAADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAASPGDVIVTMGAGDVTLLGPEILTALRVRANRSAPGRPGVLG |
| Complex: ADP_A_3(4BUB) / Model_36(4BUB/A) = [5.7]
| Download | 1160.50 | 5.87 | MSTEQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRARGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVLRPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELGEAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVEAYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPGETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNALGALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYAHHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNAADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAASPGDVIVTMGAGDVTLLGPEILTALRVRANRSAPGRPGVLG |
| Complex: EPU_A_7(1P31) / Model_3(1P31/A) = [5.9]
| Download | 2037.45 | 3.25 | MSTEQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRARGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVLRPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELGEAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVEAYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPGETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNALGALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYAHHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNAADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAASPGDVIVTMGAGDVTLLGPEILTALRVRANRSAPGRPGVLG |
| Complex: UMA_A_7(1P3D) / Model_4(1P3D/A) = [6.1]
| Download | 1675.43 | 9.41 | MSTEQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRARGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVLRPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELGEAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVEAYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPGETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNALGALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYAHHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNAADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAASPGDVIVTMGAGDVTLLGPEILTALRVRANRSAPGRPGVLG |
| Complex: AMP_B_5(4HV4) / Model_22(4HV4/B) = [7.0]
| Download | 638.52 | 8.12 | MSTEQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRARGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVLRPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELGEAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVEAYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPGETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNALGALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYAHHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNAADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAASPGDVIVTMGAGDVTLLGPEILTALRVRANRSAPGRPGVLG |
Consensus
[pKd Mean = 5.76] | - | 1436
(s=486) | 5
(s=2) | MSTEQLPPDLRRVHMVGIGGAGMSGIARILLDRGGLVSGSDAKESRGVHALRARGALIRIGHDASSLDLLPGGATAVVTTHAAIPKTNPELVEARRRGIPVVLRPAVLAKLMAGRTTLMVTGTHGKTTTTSMLIVALQHCGLDPSFAVGGELGEAGTNAHHGSGDCFVAEADESDGSLLQYTPHVAVITNIESDHLDFYGSVEAYVAVFDSFVERIVPGGALVVCTDDPGGAALAQRATELGIRVLRYGSVPGETMAATLVSWQQQGVGAVAHIRLASELATAQGPRVMRLSVPGRHMALNALGALLAAVQIGAPADEVLDGLAGFEGVRRRFELVGTCGVGKASVRVFDDYAHHPTEISATLAAARMVLEQGDGGRCMVVFQPHLYSRTKAFAAEFGRALNAADEVFVLDVYGAREQPLAGVSGASVAEHVTVPMRYVPDFSAVAQQVAAAASPGDVIVTMGAGDVTLLGPEILTALRVRANRSAPGRPGVLG |