| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: HEM_A_2(3VRM) / Model_18(3VRM/A) = [11.5]
| Download | 360.93 | 33.23 | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAEHPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAMAGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESGQLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |
| Complex: HEM_A_2(3A4H) / Model_17(3A4H/A) = [11.7]
| Download | 264.27 | 44.62 | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAEHPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAMAGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESGQLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |
| Complex: HEM_A_2(3A4G) / Model_137(3A4G/A) = [12.3]
| Download | 323.27 | 43.16 | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAEHPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAMAGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESGQLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |
| Complex: HEM_A_2(3A4G) / Model_16(3A4G/A) = [12.3]
| Download | 337.86 | 43.16 | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAEHPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAMAGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESGQLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |
| Complex: HEM_A_3(2CA0) / Model_13(2CA0/A) = [12.5]
| Download | 353.48 | 46.39 | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAEHPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAMAGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESGQLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |
Consensus
[pKd Mean = 12.06] | - | 327
(s=34) | 42
(s=4) | MPDRKLRLGEELISPLHALYDGLQVDGAPRPAHRAAEHPVWVVTRYRDARKVLNHPGVRRDARQAAELYAKRTGSPRAGIGEGLSHHMLNLDPPDHTRLRSLVGRAFTPRQVERLQPHIERITEALLDAMAGREQADLMADFAIPLTIAVIFELLGIPEAEREHARQSWERQAELLSPEEAQALADAQVDYLRVLLEAKRRQPADDVYSGLVQAADESGQLSEAELVSMAHLLMMSGFETTMNMIGNALVTLLVNPEQLALLRAQPELLPNAMEELVRHDSPVRASMLRFTVEDVELDGVTIPAGEYILVSNLTANHDAERFDDPDRLDLTRNTDGHLGYGFGVHYCVGASLARLEGRIAIQRLLARFPDLQLAVPHAELQWLPITFLRALISVPVRTGCSAPANTASHANPIERIAQ |