| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: PGD_A_2(2DMR) / Model_7(2DMR/A) = [9.9]
| Download | 1296.05 | 20.04 | MQVYTSATHWGVFTARVHGGDIAAVAALASDTNPAPQLQNLPGAVRHRSRIANPAVRRGWLQHGPGPSSARGAEEFVEVSWDELIELLASELRRTVDRYGNEAIYGSSYGWASAGRFHHAQSQVHRFLNMLGGYTASRHSYSAGASEVIFPHIVGAALFEALAETTTWDVIVDHTALLVAFGGLPVKNTAVMPGGTTAHPDRDYVGRYRARGGRLVSVSPLRDDIAAIAGPLDDRCRWLAPVPGTDVAIMLGLAYVLATESLADRAFLGRYCTGYERFERYLLGLDDGIPKTPEWAAALSGLAAGDLRDLARRMAEHRTLITTSLSLQRIEHGEQTVWMAATLAAMLGQIGLPGGGFGHGYSSNGVGNPPLACGLPALPQGNNPVSTFIPVAAISELLQRPGQRLAYNGRLLELPDIKCVYWAGGNPFHHHQNLPRLRRALSRVDTIVVHEQYWTAMAKHADIVVPTTTSFERDDFAASKTNPTLIAMPAMVPPYANARDDYHTFSALAHRLGFGKQFTEGRSAREWLEHMYDKWSAELDFPVPSFAEFWRTGRLELPTRTGLTWLADFRADPAAHPLGTPSGRIEIFSDTVDAFALPDCAGHPTWYEPSEWLGGPRAARYPLHLIANQPRTRLHSQLDHGGASMASKIRGREPIRIHPDDAAARELTDGDIVRVFNDRGACLAGVVIDDGLRPKVVQLSTGAWFDPADPRDPDSMCVHGNPNALSNDSGTSSLAHGSTGQHVLVQIERFTGELPPVRAHEPPRLA |
| Complex: PGD_A_2(1DMS) / Model_10(1DMS/A) = [10.3]
| Download | 1282.67 | 22.37 | MQVYTSATHWGVFTARVHGGDIAAVAALASDTNPAPQLQNLPGAVRHRSRIANPAVRRGWLQHGPGPSSARGAEEFVEVSWDELIELLASELRRTVDRYGNEAIYGSSYGWASAGRFHHAQSQVHRFLNMLGGYTASRHSYSAGASEVIFPHIVGAALFEALAETTTWDVIVDHTALLVAFGGLPVKNTAVMPGGTTAHPDRDYVGRYRARGGRLVSVSPLRDDIAAIAGPLDDRCRWLAPVPGTDVAIMLGLAYVLATESLADRAFLGRYCTGYERFERYLLGLDDGIPKTPEWAAALSGLAAGDLRDLARRMAEHRTLITTSLSLQRIEHGEQTVWMAATLAAMLGQIGLPGGGFGHGYSSNGVGNPPLACGLPALPQGNNPVSTFIPVAAISELLQRPGQRLAYNGRLLELPDIKCVYWAGGNPFHHHQNLPRLRRALSRVDTIVVHEQYWTAMAKHADIVVPTTTSFERDDFAASKTNPTLIAMPAMVPPYANARDDYHTFSALAHRLGFGKQFTEGRSAREWLEHMYDKWSAELDFPVPSFAEFWRTGRLELPTRTGLTWLADFRADPAAHPLGTPSGRIEIFSDTVDAFALPDCAGHPTWYEPSEWLGGPRAARYPLHLIANQPRTRLHSQLDHGGASMASKIRGREPIRIHPDDAAARELTDGDIVRVFNDRGACLAGVVIDDGLRPKVVQLSTGAWFDPADPRDPDSMCVHGNPNALSNDSGTSSLAHGSTGQHVLVQIERFTGELPPVRAHEPPRLA |
| Complex: PGD_A_2(3DMR) / Model_8(3DMR/A) = [10.5]
| Download | 1176.95 | 22.77 | MQVYTSATHWGVFTARVHGGDIAAVAALASDTNPAPQLQNLPGAVRHRSRIANPAVRRGWLQHGPGPSSARGAEEFVEVSWDELIELLASELRRTVDRYGNEAIYGSSYGWASAGRFHHAQSQVHRFLNMLGGYTASRHSYSAGASEVIFPHIVGAALFEALAETTTWDVIVDHTALLVAFGGLPVKNTAVMPGGTTAHPDRDYVGRYRARGGRLVSVSPLRDDIAAIAGPLDDRCRWLAPVPGTDVAIMLGLAYVLATESLADRAFLGRYCTGYERFERYLLGLDDGIPKTPEWAAALSGLAAGDLRDLARRMAEHRTLITTSLSLQRIEHGEQTVWMAATLAAMLGQIGLPGGGFGHGYSSNGVGNPPLACGLPALPQGNNPVSTFIPVAAISELLQRPGQRLAYNGRLLELPDIKCVYWAGGNPFHHHQNLPRLRRALSRVDTIVVHEQYWTAMAKHADIVVPTTTSFERDDFAASKTNPTLIAMPAMVPPYANARDDYHTFSALAHRLGFGKQFTEGRSAREWLEHMYDKWSAELDFPVPSFAEFWRTGRLELPTRTGLTWLADFRADPAAHPLGTPSGRIEIFSDTVDAFALPDCAGHPTWYEPSEWLGGPRAARYPLHLIANQPRTRLHSQLDHGGASMASKIRGREPIRIHPDDAAARELTDGDIVRVFNDRGACLAGVVIDDGLRPKVVQLSTGAWFDPADPRDPDSMCVHGNPNALSNDSGTSSLAHGSTGQHVLVQIERFTGELPPVRAHEPPRLA |
| Complex: PGD_A_2(1DMR) / Model_6(1DMR/A) = [10.7]
| Download | 1113.45 | 20.71 | MQVYTSATHWGVFTARVHGGDIAAVAALASDTNPAPQLQNLPGAVRHRSRIANPAVRRGWLQHGPGPSSARGAEEFVEVSWDELIELLASELRRTVDRYGNEAIYGSSYGWASAGRFHHAQSQVHRFLNMLGGYTASRHSYSAGASEVIFPHIVGAALFEALAETTTWDVIVDHTALLVAFGGLPVKNTAVMPGGTTAHPDRDYVGRYRARGGRLVSVSPLRDDIAAIAGPLDDRCRWLAPVPGTDVAIMLGLAYVLATESLADRAFLGRYCTGYERFERYLLGLDDGIPKTPEWAAALSGLAAGDLRDLARRMAEHRTLITTSLSLQRIEHGEQTVWMAATLAAMLGQIGLPGGGFGHGYSSNGVGNPPLACGLPALPQGNNPVSTFIPVAAISELLQRPGQRLAYNGRLLELPDIKCVYWAGGNPFHHHQNLPRLRRALSRVDTIVVHEQYWTAMAKHADIVVPTTTSFERDDFAASKTNPTLIAMPAMVPPYANARDDYHTFSALAHRLGFGKQFTEGRSAREWLEHMYDKWSAELDFPVPSFAEFWRTGRLELPTRTGLTWLADFRADPAAHPLGTPSGRIEIFSDTVDAFALPDCAGHPTWYEPSEWLGGPRAARYPLHLIANQPRTRLHSQLDHGGASMASKIRGREPIRIHPDDAAARELTDGDIVRVFNDRGACLAGVVIDDGLRPKVVQLSTGAWFDPADPRDPDSMCVHGNPNALSNDSGTSSLAHGSTGQHVLVQIERFTGELPPVRAHEPPRLA |
| Complex: PGD_A_2(4DMR) / Model_9(4DMR/A) = [10.7]
| Download | 1280.94 | 22.37 | MQVYTSATHWGVFTARVHGGDIAAVAALASDTNPAPQLQNLPGAVRHRSRIANPAVRRGWLQHGPGPSSARGAEEFVEVSWDELIELLASELRRTVDRYGNEAIYGSSYGWASAGRFHHAQSQVHRFLNMLGGYTASRHSYSAGASEVIFPHIVGAALFEALAETTTWDVIVDHTALLVAFGGLPVKNTAVMPGGTTAHPDRDYVGRYRARGGRLVSVSPLRDDIAAIAGPLDDRCRWLAPVPGTDVAIMLGLAYVLATESLADRAFLGRYCTGYERFERYLLGLDDGIPKTPEWAAALSGLAAGDLRDLARRMAEHRTLITTSLSLQRIEHGEQTVWMAATLAAMLGQIGLPGGGFGHGYSSNGVGNPPLACGLPALPQGNNPVSTFIPVAAISELLQRPGQRLAYNGRLLELPDIKCVYWAGGNPFHHHQNLPRLRRALSRVDTIVVHEQYWTAMAKHADIVVPTTTSFERDDFAASKTNPTLIAMPAMVPPYANARDDYHTFSALAHRLGFGKQFTEGRSAREWLEHMYDKWSAELDFPVPSFAEFWRTGRLELPTRTGLTWLADFRADPAAHPLGTPSGRIEIFSDTVDAFALPDCAGHPTWYEPSEWLGGPRAARYPLHLIANQPRTRLHSQLDHGGASMASKIRGREPIRIHPDDAAARELTDGDIVRVFNDRGACLAGVVIDDGLRPKVVQLSTGAWFDPADPRDPDSMCVHGNPNALSNDSGTSSLAHGSTGQHVLVQIERFTGELPPVRAHEPPRLA |
Consensus
[pKd Mean = 10.42] | - | 1230
(s=72) | 21
(s=1) | MQVYTSATHWGVFTARVHGGDIAAVAALASDTNPAPQLQNLPGAVRHRSRIANPAVRRGWLQHGPGPSSARGAEEFVEVSWDELIELLASELRRTVDRYGNEAIYGSSYGWASAGRFHHAQSQVHRFLNMLGGYTASRHSYSAGASEVIFPHIVGAALFEALAETTTWDVIVDHTALLVAFGGLPVKNTAVMPGGTTAHPDRDYVGRYRARGGRLVSVSPLRDDIAAIAGPLDDRCRWLAPVPGTDVAIMLGLAYVLATESLADRAFLGRYCTGYERFERYLLGLDDGIPKTPEWAAALSGLAAGDLRDLARRMAEHRTLITTSLSLQRIEHGEQTVWMAATLAAMLGQIGLPGGGFGHGYSSNGVGNPPLACGLPALPQGNNPVSTFIPVAAISELLQRPGQRLAYNGRLLELPDIKCVYWAGGNPFHHHQNLPRLRRALSRVDTIVVHEQYWTAMAKHADIVVPTTTSFERDDFAASKTNPTLIAMPAMVPPYANARDDYHTFSALAHRLGFGKQFTEGRSAREWLEHMYDKWSAELDFPVPSFAEFWRTGRLELPTRTGLTWLADFRADPAAHPLGTPSGRIEIFSDTVDAFALPDCAGHPTWYEPSEWLGGPRAARYPLHLIANQPRTRLHSQLDHGGASMASKIRGREPIRIHPDDAAARELTDGDIVRVFNDRGACLAGVVIDDGLRPKVVQLSTGAWFDPADPRDPDSMCVHGNPNALSNDSGTSSLAHGSTGQHVLVQIERFTGELPPVRAHEPPRLA |