| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: 3GQ_B_13(4R3N) / Model_27(4R3N/B) = [3.1]
| Download | 1163.43 | 0.75 | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVIDNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLNQVLQAGAFAYPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVDFPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
| Complex: 11C_B_6(3PWS) / Model_36(3PWS/B) = [3.3]
| Download | 535.04 | 1.68 | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVIDNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLNQVLQAGAFAYPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVDFPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
| Complex: 11C_A_3(3PWS) / Model_6(3PWS/A) = [3.4]
| Download | 590.76 | 7.64 | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVIDNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLNQVLQAGAFAYPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVDFPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
| Complex: 3JM_A_7(4R54) / Model_17(4R54/A) = [3.4]
| Download | 1189.99 | 9.67 | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVIDNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLNQVLQAGAFAYPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVDFPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
| Complex: 12T_B_13(3PYX) / Model_33(3PYX/B) = [3.6]
| Download | 687.06 | 11.12 | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVIDNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLNQVLQAGAFAYPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVDFPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |
Consensus
[pKd Mean = 3.36] | - | 833
(s=284) | 6
(s=4) | MKTYNVAIVGASGAVGQELIKGLENSFFPIKKFVPLASARSAGKKIRAFNKDYEILETTHEVFEKEEIDIAFFSAGGSVSEEFAISASKTALVIDNTSFFRLNKDVPLVVPEINAQEIFNAPLNIIANPNCSTIQMTQILNPLHLHFKIKSVIVSTYQAVSGAGNKGIESLKNELKTALEHLEKDPAIDLNQVLQAGAFAYPIAFNAIAHIDTFKENGYTKEELKMVHETHKIMGVDFPISATCVRVPVLRSHSESLSIAFEKEFDLKEVYEVLKNAPSVVVCDDPSHNLYPTPLKASHTDSVFIGRLRKDLFDKKTLHGFCVADQLRVGAATNALKIALHYIKNA |