Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: EDO_B_6(2ZFA) / Model_58(2ZFA/B) = [3.5]
| Download | 220.92 | 30.75 | MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR |
Complex: DHP_I_9(1AL8) / Model_3(1AL8/A) = [3.6]
| Download | 1203.31 | 52.92 | MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR |
Complex: LAC_A_4(2NLI) / Model_57(2NLI/A) = [4.1]
| Download | 468.51 | 34.65 | MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR |
Complex: LAC_A_4(2NLI) / Model_138(2NLI/A) = [4.2]
| Download | 486.83 | 34.65 | MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR |
Complex: FMN_G_7(1SZE) / Model_41(1SZE/B) = [8.3]
| Download | 641.66 | 21.93 | MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR |
Consensus [pKd Mean = 4.74] | - | 604 (s=328) | 34 (s=10) | MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR |