| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: 3PG_A_3(4NJM) / Model_7(4NJM/A) = [3.6]
| Download | 427.08 | 7.44 | VFNIQTFNAIAKEGLKTFDLEKYVIDANQPADGILLRSYNLHDFDFPETVKAVARAGAGVNNIPVENCSEKGIVVFNTPGANANAVKELVLASLFVSARPILEGTEWVKELPAEDDVEQKVEAGKKAFAGTELAGKKLGIIGLGAIGALVANDALSLGMDVVGYDPFVSVDTAWRISKEVERAMTIEEVLATCDYLTVHVPLTDKTRGMFNADTLQLVKDNAVLLNFSRGELVDSASVKEALDDGLLRLYITDFATKELLNHKKVHVFPHLGASTEEAETNCAKMAAKELQSYLETGSIKNSVNFPNVEMPYNGHPRIGICHKNIPNMVGQITTELGKYSLNILDMINRSKNEYAYTLIDIDKETQANLEQLKQDLLAVQGVLRVRVIEPLGVTV |
| Complex: HPV_B_6(3DDN) / Model_22(3DDN/B) = [3.7]
| Download | 635.02 | 7.14 | VFNIQTFNAIAKEGLKTFDLEKYVIDANQPADGILLRSYNLHDFDFPETVKAVARAGAGVNNIPVENCSEKGIVVFNTPGANANAVKELVLASLFVSARPILEGTEWVKELPAEDDVEQKVEAGKKAFAGTELAGKKLGIIGLGAIGALVANDALSLGMDVVGYDPFVSVDTAWRISKEVERAMTIEEVLATCDYLTVHVPLTDKTRGMFNADTLQLVKDNAVLLNFSRGELVDSASVKEALDDGLLRLYITDFATKELLNHKKVHVFPHLGASTEEAETNCAKMAAKELQSYLETGSIKNSVNFPNVEMPYNGHPRIGICHKNIPNMVGQITTELGKYSLNILDMINRSKNEYAYTLIDIDKETQANLEQLKQDLLAVQGVLRVRVIEPLGVTV |
| Complex: NAD_B_6(2G76) / Model_21(2G76/B) = [7.7]
| Download | 1427.13 | 26.16 | VFNIQTFNAIAKEGLKTFDLEKYVIDANQPADGILLRSYNLHDFDFPETVKAVARAGAGVNNIPVENCSEKGIVVFNTPGANANAVKELVLASLFVSARPILEGTEWVKELPAEDDVEQKVEAGKKAFAGTELAGKKLGIIGLGAIGALVANDALSLGMDVVGYDPFVSVDTAWRISKEVERAMTIEEVLATCDYLTVHVPLTDKTRGMFNADTLQLVKDNAVLLNFSRGELVDSASVKEALDDGLLRLYITDFATKELLNHKKVHVFPHLGASTEEAETNCAKMAAKELQSYLETGSIKNSVNFPNVEMPYNGHPRIGICHKNIPNMVGQITTELGKYSLNILDMINRSKNEYAYTLIDIDKETQANLEQLKQDLLAVQGVLRVRVIEPLGVTV |
| Complex: NAD_D_4(1WWK) / Model_25(1WWK/B) = [8.3]
| Download | 1767.34 | 25.80 | VFNIQTFNAIAKEGLKTFDLEKYVIDANQPADGILLRSYNLHDFDFPETVKAVARAGAGVNNIPVENCSEKGIVVFNTPGANANAVKELVLASLFVSARPILEGTEWVKELPAEDDVEQKVEAGKKAFAGTELAGKKLGIIGLGAIGALVANDALSLGMDVVGYDPFVSVDTAWRISKEVERAMTIEEVLATCDYLTVHVPLTDKTRGMFNADTLQLVKDNAVLLNFSRGELVDSASVKEALDDGLLRLYITDFATKELLNHKKVHVFPHLGASTEEAETNCAKMAAKELQSYLETGSIKNSVNFPNVEMPYNGHPRIGICHKNIPNMVGQITTELGKYSLNILDMINRSKNEYAYTLIDIDKETQANLEQLKQDLLAVQGVLRVRVIEPLGVTV |
| Complex: NAD_A_5(2G76) / Model_1(2G76/A) = [9.0]
| Download | 1597.26 | 26.87 | VFNIQTFNAIAKEGLKTFDLEKYVIDANQPADGILLRSYNLHDFDFPETVKAVARAGAGVNNIPVENCSEKGIVVFNTPGANANAVKELVLASLFVSARPILEGTEWVKELPAEDDVEQKVEAGKKAFAGTELAGKKLGIIGLGAIGALVANDALSLGMDVVGYDPFVSVDTAWRISKEVERAMTIEEVLATCDYLTVHVPLTDKTRGMFNADTLQLVKDNAVLLNFSRGELVDSASVKEALDDGLLRLYITDFATKELLNHKKVHVFPHLGASTEEAETNCAKMAAKELQSYLETGSIKNSVNFPNVEMPYNGHPRIGICHKNIPNMVGQITTELGKYSLNILDMINRSKNEYAYTLIDIDKETQANLEQLKQDLLAVQGVLRVRVIEPLGVTV |
Consensus
[pKd Mean = 6.46] | - | 1170
(s=537) | 18
(s=9) | VFNIQTFNAIAKEGLKTFDLEKYVIDANQPADGILLRSYNLHDFDFPETVKAVARAGAGVNNIPVENCSEKGIVVFNTPGANANAVKELVLASLFVSARPILEGTEWVKELPAEDDVEQKVEAGKKAFAGTELAGKKLGIIGLGAIGALVANDALSLGMDVVGYDPFVSVDTAWRISKEVERAMTIEEVLATCDYLTVHVPLTDKTRGMFNADTLQLVKDNAVLLNFSRGELVDSASVKEALDDGLLRLYITDFATKELLNHKKVHVFPHLGASTEEAETNCAKMAAKELQSYLETGSIKNSVNFPNVEMPYNGHPRIGICHKNIPNMVGQITTELGKYSLNILDMINRSKNEYAYTLIDIDKETQANLEQLKQDLLAVQGVLRVRVIEPLGVTV |