| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_B_10(1YFR) / Model_27(1YFR/B) = [5.3]
| Download | 1382.78 | -5.84 | MKSAEIREAFLRFFEEKGHTRVASSSLIPANDPTLLFTNAGMNQFKDCFLGLEKRAYTRATTSQKCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGDYFKRDAIHYAWEFLTGEKWLNLPKEKLWVTVYATDDEAYDIWTKEVGVPAERMVRIGDNKGAPYASDNFWAMGDTGPCGPCTEIFFDHGPEIWGGPPGSPEEDGDRYIEIWNNVFMQFNRTADGVMHPLPAPSVDTGMGLERVSAVLQHVHSNYEIDLFQNLLKASAEAIGCANDDAPSLKVVADHIRSCSFLIADGVLPSNEGRGYVLRRIIRRACRHGNKLGARGTFFHKIVAALVAEMGDAFPELKQQQAHIERVLKTEEEQFAKTLEQGLKILEQDLAELQGSVIPGNVVFKLYDTYGFPVDLTNDIARERELTIDEDGFEREMEAQRERARASSAFGMDYNSLVKVDGETRFLGYQGVSGAGQIVALFRDGQAVERLEEGEEGVVVLDQTPFYAESGGQVGDSGYLEAAGVRFDVRDTTKAGGAHLHHGVVARGNLSVGGAVKAEVDASVRQATALNHSATHLLHAALRQVLGDHVQQKGSLVDSQRLRFDFSHFEAIKAEQLKALEDIVNAEIRRNTEVETEETDIDTAKAKGAMALFGEKYGDQVRVLSMGGDFSVELCGGTHVSRTGDIGLFKITSEGGVAAGVRRIEAVTGAAALAYLNGAEEQLKEAASLVKGSRDNLLDKLGALLERNRSLEKELEQLKAKAASAAGDDLSAAAVEIKGAKVLAARLDGLDGKALLALVDQLKNKLGRAVILLGGELDGKVVLVAGVTQDLTGQLKAGELMKQAAAAVGGKGGGRPDMAQGGGTDAAKLDEALALAQRFVEQGL |
| Complex: G5A_A_3(3HY0) / Model_7(3HY0/A) = [5.7]
| Download | 677.00 | -1.38 | MKSAEIREAFLRFFEEKGHTRVASSSLIPANDPTLLFTNAGMNQFKDCFLGLEKRAYTRATTSQKCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGDYFKRDAIHYAWEFLTGEKWLNLPKEKLWVTVYATDDEAYDIWTKEVGVPAERMVRIGDNKGAPYASDNFWAMGDTGPCGPCTEIFFDHGPEIWGGPPGSPEEDGDRYIEIWNNVFMQFNRTADGVMHPLPAPSVDTGMGLERVSAVLQHVHSNYEIDLFQNLLKASAEAIGCANDDAPSLKVVADHIRSCSFLIADGVLPSNEGRGYVLRRIIRRACRHGNKLGARGTFFHKIVAALVAEMGDAFPELKQQQAHIERVLKTEEEQFAKTLEQGLKILEQDLAELQGSVIPGNVVFKLYDTYGFPVDLTNDIARERELTIDEDGFEREMEAQRERARASSAFGMDYNSLVKVDGETRFLGYQGVSGAGQIVALFRDGQAVERLEEGEEGVVVLDQTPFYAESGGQVGDSGYLEAAGVRFDVRDTTKAGGAHLHHGVVARGNLSVGGAVKAEVDASVRQATALNHSATHLLHAALRQVLGDHVQQKGSLVDSQRLRFDFSHFEAIKAEQLKALEDIVNAEIRRNTEVETEETDIDTAKAKGAMALFGEKYGDQVRVLSMGGDFSVELCGGTHVSRTGDIGLFKITSEGGVAAGVRRIEAVTGAAALAYLNGAEEQLKEAASLVKGSRDNLLDKLGALLERNRSLEKELEQLKAKAASAAGDDLSAAAVEIKGAKVLAARLDGLDGKALLALVDQLKNKLGRAVILLGGELDGKVVLVAGVTQDLTGQLKAGELMKQAAAAVGGKGGGRPDMAQGGGTDAAKLDEALALAQRFVEQGL |
| Complex: G5A_A_3(3HY0) / Model_31(3HY0/A) = [5.7]
| Download | 602.39 | -1.38 | MKSAEIREAFLRFFEEKGHTRVASSSLIPANDPTLLFTNAGMNQFKDCFLGLEKRAYTRATTSQKCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGDYFKRDAIHYAWEFLTGEKWLNLPKEKLWVTVYATDDEAYDIWTKEVGVPAERMVRIGDNKGAPYASDNFWAMGDTGPCGPCTEIFFDHGPEIWGGPPGSPEEDGDRYIEIWNNVFMQFNRTADGVMHPLPAPSVDTGMGLERVSAVLQHVHSNYEIDLFQNLLKASAEAIGCANDDAPSLKVVADHIRSCSFLIADGVLPSNEGRGYVLRRIIRRACRHGNKLGARGTFFHKIVAALVAEMGDAFPELKQQQAHIERVLKTEEEQFAKTLEQGLKILEQDLAELQGSVIPGNVVFKLYDTYGFPVDLTNDIARERELTIDEDGFEREMEAQRERARASSAFGMDYNSLVKVDGETRFLGYQGVSGAGQIVALFRDGQAVERLEEGEEGVVVLDQTPFYAESGGQVGDSGYLEAAGVRFDVRDTTKAGGAHLHHGVVARGNLSVGGAVKAEVDASVRQATALNHSATHLLHAALRQVLGDHVQQKGSLVDSQRLRFDFSHFEAIKAEQLKALEDIVNAEIRRNTEVETEETDIDTAKAKGAMALFGEKYGDQVRVLSMGGDFSVELCGGTHVSRTGDIGLFKITSEGGVAAGVRRIEAVTGAAALAYLNGAEEQLKEAASLVKGSRDNLLDKLGALLERNRSLEKELEQLKAKAASAAGDDLSAAAVEIKGAKVLAARLDGLDGKALLALVDQLKNKLGRAVILLGGELDGKVVLVAGVTQDLTGQLKAGELMKQAAAAVGGKGGGRPDMAQGGGTDAAKLDEALALAQRFVEQGL |
| Complex: G5A_A_4(3HXV) / Model_2(3HXV/A) = [5.8]
| Download | 651.99 | -1.38 | MKSAEIREAFLRFFEEKGHTRVASSSLIPANDPTLLFTNAGMNQFKDCFLGLEKRAYTRATTSQKCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGDYFKRDAIHYAWEFLTGEKWLNLPKEKLWVTVYATDDEAYDIWTKEVGVPAERMVRIGDNKGAPYASDNFWAMGDTGPCGPCTEIFFDHGPEIWGGPPGSPEEDGDRYIEIWNNVFMQFNRTADGVMHPLPAPSVDTGMGLERVSAVLQHVHSNYEIDLFQNLLKASAEAIGCANDDAPSLKVVADHIRSCSFLIADGVLPSNEGRGYVLRRIIRRACRHGNKLGARGTFFHKIVAALVAEMGDAFPELKQQQAHIERVLKTEEEQFAKTLEQGLKILEQDLAELQGSVIPGNVVFKLYDTYGFPVDLTNDIARERELTIDEDGFEREMEAQRERARASSAFGMDYNSLVKVDGETRFLGYQGVSGAGQIVALFRDGQAVERLEEGEEGVVVLDQTPFYAESGGQVGDSGYLEAAGVRFDVRDTTKAGGAHLHHGVVARGNLSVGGAVKAEVDASVRQATALNHSATHLLHAALRQVLGDHVQQKGSLVDSQRLRFDFSHFEAIKAEQLKALEDIVNAEIRRNTEVETEETDIDTAKAKGAMALFGEKYGDQVRVLSMGGDFSVELCGGTHVSRTGDIGLFKITSEGGVAAGVRRIEAVTGAAALAYLNGAEEQLKEAASLVKGSRDNLLDKLGALLERNRSLEKELEQLKAKAASAAGDDLSAAAVEIKGAKVLAARLDGLDGKALLALVDQLKNKLGRAVILLGGELDGKVVLVAGVTQDLTGQLKAGELMKQAAAAVGGKGGGRPDMAQGGGTDAAKLDEALALAQRFVEQGL |
| Complex: G5A_B_7(3HY0) / Model_22(3HY0/B) = [5.8]
| Download | 561.12 | -1.38 | MKSAEIREAFLRFFEEKGHTRVASSSLIPANDPTLLFTNAGMNQFKDCFLGLEKRAYTRATTSQKCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGDYFKRDAIHYAWEFLTGEKWLNLPKEKLWVTVYATDDEAYDIWTKEVGVPAERMVRIGDNKGAPYASDNFWAMGDTGPCGPCTEIFFDHGPEIWGGPPGSPEEDGDRYIEIWNNVFMQFNRTADGVMHPLPAPSVDTGMGLERVSAVLQHVHSNYEIDLFQNLLKASAEAIGCANDDAPSLKVVADHIRSCSFLIADGVLPSNEGRGYVLRRIIRRACRHGNKLGARGTFFHKIVAALVAEMGDAFPELKQQQAHIERVLKTEEEQFAKTLEQGLKILEQDLAELQGSVIPGNVVFKLYDTYGFPVDLTNDIARERELTIDEDGFEREMEAQRERARASSAFGMDYNSLVKVDGETRFLGYQGVSGAGQIVALFRDGQAVERLEEGEEGVVVLDQTPFYAESGGQVGDSGYLEAAGVRFDVRDTTKAGGAHLHHGVVARGNLSVGGAVKAEVDASVRQATALNHSATHLLHAALRQVLGDHVQQKGSLVDSQRLRFDFSHFEAIKAEQLKALEDIVNAEIRRNTEVETEETDIDTAKAKGAMALFGEKYGDQVRVLSMGGDFSVELCGGTHVSRTGDIGLFKITSEGGVAAGVRRIEAVTGAAALAYLNGAEEQLKEAASLVKGSRDNLLDKLGALLERNRSLEKELEQLKAKAASAAGDDLSAAAVEIKGAKVLAARLDGLDGKALLALVDQLKNKLGRAVILLGGELDGKVVLVAGVTQDLTGQLKAGELMKQAAAAVGGKGGGRPDMAQGGGTDAAKLDEALALAQRFVEQGL |
Consensus
[pKd Mean = 5.66] | - | 775
(s=306) | -2
(s=1) | MKSAEIREAFLRFFEEKGHTRVASSSLIPANDPTLLFTNAGMNQFKDCFLGLEKRAYTRATTSQKCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGDYFKRDAIHYAWEFLTGEKWLNLPKEKLWVTVYATDDEAYDIWTKEVGVPAERMVRIGDNKGAPYASDNFWAMGDTGPCGPCTEIFFDHGPEIWGGPPGSPEEDGDRYIEIWNNVFMQFNRTADGVMHPLPAPSVDTGMGLERVSAVLQHVHSNYEIDLFQNLLKASAEAIGCANDDAPSLKVVADHIRSCSFLIADGVLPSNEGRGYVLRRIIRRACRHGNKLGARGTFFHKIVAALVAEMGDAFPELKQQQAHIERVLKTEEEQFAKTLEQGLKILEQDLAELQGSVIPGNVVFKLYDTYGFPVDLTNDIARERELTIDEDGFEREMEAQRERARASSAFGMDYNSLVKVDGETRFLGYQGVSGAGQIVALFRDGQAVERLEEGEEGVVVLDQTPFYAESGGQVGDSGYLEAAGVRFDVRDTTKAGGAHLHHGVVARGNLSVGGAVKAEVDASVRQATALNHSATHLLHAALRQVLGDHVQQKGSLVDSQRLRFDFSHFEAIKAEQLKALEDIVNAEIRRNTEVETEETDIDTAKAKGAMALFGEKYGDQVRVLSMGGDFSVELCGGTHVSRTGDIGLFKITSEGGVAAGVRRIEAVTGAAALAYLNGAEEQLKEAASLVKGSRDNLLDKLGALLERNRSLEKELEQLKAKAASAAGDDLSAAAVEIKGAKVLAARLDGLDGKALLALVDQLKNKLGRAVILLGGELDGKVVLVAGVTQDLTGQLKAGELMKQAAAAVGGKGGGRPDMAQGGGTDAAKLDEALALAQRFVEQGL |