Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: L5V_A_3(4CC5) / Model_7(4CC5/A) = [4.2]
| Download | 650.50 | 29.90 | MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE |
Complex: AMP_B_2(1ZAU) / Model_37(1ZAU/A) = [4.4]
| Download | 977.98 | 8.87 | MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE |
Complex: AMP_B_2(1ZAU) / Model_30(1ZAU/A) = [4.4]
| Download | 946.32 | 8.87 | MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE |
Complex: NACID_C_2(4GLX) / Model_2(4GLX/A) = [4.5]
| Download | - | - | MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE |
Complex: 1X7_A_2(4LH6) / Model_29(4LH6/A) = [4.6]
| Download | 623.97 | 17.35 | MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE |
Consensus [pKd Mean = 4.42] | - | 799 (s=163) | 16 (s=8) | MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE |