| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: CIT_D_14(3ITJ) / Model_25(3ITJ/D) = [3.1]
| Download | 791.61 | 1.62 | MKNYRFGTKVLIIGSGAAGYAAAIYAARANLEPVVVTGMQPGGQLTITMGVENYPGFVSIQGPELMKQMRLHVEKVGAEIVNDEIKSVEQLEYSNEYKFRSSGNNDDYYSNAVIIAAGSQAKWLGLESERKFQGYGVSACATCDGAFFRNKIVAVIGGGNTAVEEAIFLTRFAKEVILIHRRDKLRAEKIMQDRLFANNKIKVIWNHTVEQVLGEENPKKVTGITIKSTKIDEIQELRVNGVFIAIGHAPNTGVFKSFIEMDEQGYIITKPGTTLTSRAGVFAAGDVQDKVYRQAVVAAGTGCMAALDAEKFLECTSK |
| Complex: CIT_B_9(3ITJ) / Model_27(3ITJ/B) = [3.5]
| Download | 687.60 | 0.21 | MKNYRFGTKVLIIGSGAAGYAAAIYAARANLEPVVVTGMQPGGQLTITMGVENYPGFVSIQGPELMKQMRLHVEKVGAEIVNDEIKSVEQLEYSNEYKFRSSGNNDDYYSNAVIIAAGSQAKWLGLESERKFQGYGVSACATCDGAFFRNKIVAVIGGGNTAVEEAIFLTRFAKEVILIHRRDKLRAEKIMQDRLFANNKIKVIWNHTVEQVLGEENPKKVTGITIKSTKIDEIQELRVNGVFIAIGHAPNTGVFKSFIEMDEQGYIITKPGTTLTSRAGVFAAGDVQDKVYRQAVVAAGTGCMAALDAEKFLECTSK |
| Complex: ACY_B_9(3F8P) / Model_44(3F8P/B) = [3.7]
| Download | 239.32 | 10.17 | MKNYRFGTKVLIIGSGAAGYAAAIYAARANLEPVVVTGMQPGGQLTITMGVENYPGFVSIQGPELMKQMRLHVEKVGAEIVNDEIKSVEQLEYSNEYKFRSSGNNDDYYSNAVIIAAGSQAKWLGLESERKFQGYGVSACATCDGAFFRNKIVAVIGGGNTAVEEAIFLTRFAKEVILIHRRDKLRAEKIMQDRLFANNKIKVIWNHTVEQVLGEENPKKVTGITIKSTKIDEIQELRVNGVFIAIGHAPNTGVFKSFIEMDEQGYIITKPGTTLTSRAGVFAAGDVQDKVYRQAVVAAGTGCMAALDAEKFLECTSK |
| Complex: CIT_C_12(3ITJ) / Model_26(3ITJ/C) = [3.8]
| Download | 750.52 | 12.75 | MKNYRFGTKVLIIGSGAAGYAAAIYAARANLEPVVVTGMQPGGQLTITMGVENYPGFVSIQGPELMKQMRLHVEKVGAEIVNDEIKSVEQLEYSNEYKFRSSGNNDDYYSNAVIIAAGSQAKWLGLESERKFQGYGVSACATCDGAFFRNKIVAVIGGGNTAVEEAIFLTRFAKEVILIHRRDKLRAEKIMQDRLFANNKIKVIWNHTVEQVLGEENPKKVTGITIKSTKIDEIQELRVNGVFIAIGHAPNTGVFKSFIEMDEQGYIITKPGTTLTSRAGVFAAGDVQDKVYRQAVVAAGTGCMAALDAEKFLECTSK |
| Complex: ACY_B_8(3F8D) / Model_53(3F8D/B) = [3.9]
| Download | 266.26 | 15.00 | MKNYRFGTKVLIIGSGAAGYAAAIYAARANLEPVVVTGMQPGGQLTITMGVENYPGFVSIQGPELMKQMRLHVEKVGAEIVNDEIKSVEQLEYSNEYKFRSSGNNDDYYSNAVIIAAGSQAKWLGLESERKFQGYGVSACATCDGAFFRNKIVAVIGGGNTAVEEAIFLTRFAKEVILIHRRDKLRAEKIMQDRLFANNKIKVIWNHTVEQVLGEENPKKVTGITIKSTKIDEIQELRVNGVFIAIGHAPNTGVFKSFIEMDEQGYIITKPGTTLTSRAGVFAAGDVQDKVYRQAVVAAGTGCMAALDAEKFLECTSK |
Consensus
[pKd Mean = 3.60] | - | 547
(s=242) | 7
(s=6) | MKNYRFGTKVLIIGSGAAGYAAAIYAARANLEPVVVTGMQPGGQLTITMGVENYPGFVSIQGPELMKQMRLHVEKVGAEIVNDEIKSVEQLEYSNEYKFRSSGNNDDYYSNAVIIAAGSQAKWLGLESERKFQGYGVSACATCDGAFFRNKIVAVIGGGNTAVEEAIFLTRFAKEVILIHRRDKLRAEKIMQDRLFANNKIKVIWNHTVEQVLGEENPKKVTGITIKSTKIDEIQELRVNGVFIAIGHAPNTGVFKSFIEMDEQGYIITKPGTTLTSRAGVFAAGDVQDKVYRQAVVAAGTGCMAALDAEKFLECTSK |