Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
Complex: NACID_D_2(2PJR) / Model_31(2PJR/G) = [3.2]
| Download | - | - | MNDYLSLLNPEQQSAVTKVDGPVLILAGAGTGKTRTITSRIAHIIRNGYAHSDEILAVTFTNKAANEMVSRVLKLTGTNILWLGTFHAIAAKILRRHADIVGLNPNFTIIGVDDQLQVIKNIINEVSPNNLSEKHSTIMNTIQKWKEKCLLPSEVEETQLFRPIYIIALKVYHQYQERLKFLNSVDFGDLLLYNIQLFNQKTEILSYYQGKFKYIMVDEYQDTNVIQYLWLKYLAKEHSNICCVGDDDQSIYSWRGAEVKNILKFSDDFKNAKIIKLECNYRSTSHILATASYVINHNKTRLEKKLWTTNIKGEKVNLIKLWDGKAEARFISEQILKLNKYRFSDMAVLVRATFQTRVLEEYFIKYSIPYKIISGVKFYERQEVRDVIAYLRLVTNNNDDLAFERIVNRPKRSIGPTTLKKIYTVAQGNKTSFFEAAKILVNSNQVIEKIKLSLNDFFNKIKAWEEMISVKPLHKFVKTIANQSGYIEMLENEEVTGLARIENVKELISSLKNFDNATTFLEHISLVMEVDNMNNDDTVHVMTLHAAKGLEFPCVFLPGWEEGLFPHQRSFEDKSGKALEEERRLAYVGITRAKEKLIISCADRREINNQWQPMYASRFLKELPRENVEVIKSNIAYC |
Complex: NACID_C_1(2PJR) / Model_32(2PJR/B) = [4.1]
| Download | - | - | MNDYLSLLNPEQQSAVTKVDGPVLILAGAGTGKTRTITSRIAHIIRNGYAHSDEILAVTFTNKAANEMVSRVLKLTGTNILWLGTFHAIAAKILRRHADIVGLNPNFTIIGVDDQLQVIKNIINEVSPNNLSEKHSTIMNTIQKWKEKCLLPSEVEETQLFRPIYIIALKVYHQYQERLKFLNSVDFGDLLLYNIQLFNQKTEILSYYQGKFKYIMVDEYQDTNVIQYLWLKYLAKEHSNICCVGDDDQSIYSWRGAEVKNILKFSDDFKNAKIIKLECNYRSTSHILATASYVINHNKTRLEKKLWTTNIKGEKVNLIKLWDGKAEARFISEQILKLNKYRFSDMAVLVRATFQTRVLEEYFIKYSIPYKIISGVKFYERQEVRDVIAYLRLVTNNNDDLAFERIVNRPKRSIGPTTLKKIYTVAQGNKTSFFEAAKILVNSNQVIEKIKLSLNDFFNKIKAWEEMISVKPLHKFVKTIANQSGYIEMLENEEVTGLARIENVKELISSLKNFDNATTFLEHISLVMEVDNMNNDDTVHVMTLHAAKGLEFPCVFLPGWEEGLFPHQRSFEDKSGKALEEERRLAYVGITRAKEKLIISCADRREINNQWQPMYASRFLKELPRENVEVIKSNIAYC |
Complex: NACID_C_1(2IS1) / Model_3(2IS1/A) = [4.6]
| Download | - | - | MNDYLSLLNPEQQSAVTKVDGPVLILAGAGTGKTRTITSRIAHIIRNGYAHSDEILAVTFTNKAANEMVSRVLKLTGTNILWLGTFHAIAAKILRRHADIVGLNPNFTIIGVDDQLQVIKNIINEVSPNNLSEKHSTIMNTIQKWKEKCLLPSEVEETQLFRPIYIIALKVYHQYQERLKFLNSVDFGDLLLYNIQLFNQKTEILSYYQGKFKYIMVDEYQDTNVIQYLWLKYLAKEHSNICCVGDDDQSIYSWRGAEVKNILKFSDDFKNAKIIKLECNYRSTSHILATASYVINHNKTRLEKKLWTTNIKGEKVNLIKLWDGKAEARFISEQILKLNKYRFSDMAVLVRATFQTRVLEEYFIKYSIPYKIISGVKFYERQEVRDVIAYLRLVTNNNDDLAFERIVNRPKRSIGPTTLKKIYTVAQGNKTSFFEAAKILVNSNQVIEKIKLSLNDFFNKIKAWEEMISVKPLHKFVKTIANQSGYIEMLENEEVTGLARIENVKELISSLKNFDNATTFLEHISLVMEVDNMNNDDTVHVMTLHAAKGLEFPCVFLPGWEEGLFPHQRSFEDKSGKALEEERRLAYVGITRAKEKLIISCADRREINNQWQPMYASRFLKELPRENVEVIKSNIAYC |
Complex: NACID_E_3(2IS1) / Model_21(2IS1/B) = [6.4]
| Download | - | - | MNDYLSLLNPEQQSAVTKVDGPVLILAGAGTGKTRTITSRIAHIIRNGYAHSDEILAVTFTNKAANEMVSRVLKLTGTNILWLGTFHAIAAKILRRHADIVGLNPNFTIIGVDDQLQVIKNIINEVSPNNLSEKHSTIMNTIQKWKEKCLLPSEVEETQLFRPIYIIALKVYHQYQERLKFLNSVDFGDLLLYNIQLFNQKTEILSYYQGKFKYIMVDEYQDTNVIQYLWLKYLAKEHSNICCVGDDDQSIYSWRGAEVKNILKFSDDFKNAKIIKLECNYRSTSHILATASYVINHNKTRLEKKLWTTNIKGEKVNLIKLWDGKAEARFISEQILKLNKYRFSDMAVLVRATFQTRVLEEYFIKYSIPYKIISGVKFYERQEVRDVIAYLRLVTNNNDDLAFERIVNRPKRSIGPTTLKKIYTVAQGNKTSFFEAAKILVNSNQVIEKIKLSLNDFFNKIKAWEEMISVKPLHKFVKTIANQSGYIEMLENEEVTGLARIENVKELISSLKNFDNATTFLEHISLVMEVDNMNNDDTVHVMTLHAAKGLEFPCVFLPGWEEGLFPHQRSFEDKSGKALEEERRLAYVGITRAKEKLIISCADRREINNQWQPMYASRFLKELPRENVEVIKSNIAYC |
Complex: NACID_D_2(2PJR) / Model_22(2PJR/F) = [10.3]
| Download | - | - | MNDYLSLLNPEQQSAVTKVDGPVLILAGAGTGKTRTITSRIAHIIRNGYAHSDEILAVTFTNKAANEMVSRVLKLTGTNILWLGTFHAIAAKILRRHADIVGLNPNFTIIGVDDQLQVIKNIINEVSPNNLSEKHSTIMNTIQKWKEKCLLPSEVEETQLFRPIYIIALKVYHQYQERLKFLNSVDFGDLLLYNIQLFNQKTEILSYYQGKFKYIMVDEYQDTNVIQYLWLKYLAKEHSNICCVGDDDQSIYSWRGAEVKNILKFSDDFKNAKIIKLECNYRSTSHILATASYVINHNKTRLEKKLWTTNIKGEKVNLIKLWDGKAEARFISEQILKLNKYRFSDMAVLVRATFQTRVLEEYFIKYSIPYKIISGVKFYERQEVRDVIAYLRLVTNNNDDLAFERIVNRPKRSIGPTTLKKIYTVAQGNKTSFFEAAKILVNSNQVIEKIKLSLNDFFNKIKAWEEMISVKPLHKFVKTIANQSGYIEMLENEEVTGLARIENVKELISSLKNFDNATTFLEHISLVMEVDNMNNDDTVHVMTLHAAKGLEFPCVFLPGWEEGLFPHQRSFEDKSGKALEEERRLAYVGITRAKEKLIISCADRREINNQWQPMYASRFLKELPRENVEVIKSNIAYC |
Consensus [pKd Mean = 5.72] | - | 0 (s=0) | 0 (s=0) | MNDYLSLLNPEQQSAVTKVDGPVLILAGAGTGKTRTITSRIAHIIRNGYAHSDEILAVTFTNKAANEMVSRVLKLTGTNILWLGTFHAIAAKILRRHADIVGLNPNFTIIGVDDQLQVIKNIINEVSPNNLSEKHSTIMNTIQKWKEKCLLPSEVEETQLFRPIYIIALKVYHQYQERLKFLNSVDFGDLLLYNIQLFNQKTEILSYYQGKFKYIMVDEYQDTNVIQYLWLKYLAKEHSNICCVGDDDQSIYSWRGAEVKNILKFSDDFKNAKIIKLECNYRSTSHILATASYVINHNKTRLEKKLWTTNIKGEKVNLIKLWDGKAEARFISEQILKLNKYRFSDMAVLVRATFQTRVLEEYFIKYSIPYKIISGVKFYERQEVRDVIAYLRLVTNNNDDLAFERIVNRPKRSIGPTTLKKIYTVAQGNKTSFFEAAKILVNSNQVIEKIKLSLNDFFNKIKAWEEMISVKPLHKFVKTIANQSGYIEMLENEEVTGLARIENVKELISSLKNFDNATTFLEHISLVMEVDNMNNDDTVHVMTLHAAKGLEFPCVFLPGWEEGLFPHQRSFEDKSGKALEEERRLAYVGITRAKEKLIISCADRREINNQWQPMYASRFLKELPRENVEVIKSNIAYC |