| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: GLA_A_2(1PIE) / Model_31(1PIE/A) = [3.1]
| Download | 360.02 | 7.58 | MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE |
| Complex: APW_A_3(2DEJ) / Model_4(2DEJ/A) = [3.1]
| Download | 1557.85 | 18.12 | MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE |
| Complex: GLA_A_2(1PIE) / Model_21(1PIE/A) = [3.1]
| Download | 385.41 | 7.58 | MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE |
| Complex: GLA_A_2(1PIE) / Model_1(1PIE/A) = [3.1]
| Download | 384.32 | 7.58 | MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE |
| Complex: GLA_A_3(2AJ4) / Model_6(2AJ4/A) = [3.4]
| Download | 431.69 | 10.50 | MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE |
Consensus
[pKd Mean = 3.16] | - | 623
(s=467) | 10
(s=4) | MREELKGIFASVFGEKEGLRFFFAPGRVNLIGEHTDYNGGHVFPCALTMGTYAAVAERNDGLVRMYSDNFRNAGIKECSLDDIRYQKEDDWANYPKGVIYEFQQRGYAVPHGFDIVFSGNIPNGAGLSSSASIELLMGVVLQSYFHPEVDALELVKMAQHAENHFIGVNCGIMDQFAIGMGKKHHAMLLNCDTLDYEYSKLNVSGLALVIANTNKKRTLADSSYNTRRQECNDALLDLKKGLDIAALGDIKPSDFDAHSSLIQNETNRRRAKHAVYENHRAIKTAHMFKENNIDEIGQLMKESHLSLKDDYEVTCPELDELVFAAWDHEGVIGSRMTGAGFGGCTISIVKDEFVDDFIQKVGDRYQEKTGLRADFYVADIGEGARELKGE |