| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: TLA_A_7(2UYV) / Model_6(2UYV/A) = [3.1]
| Download | 511.44 | -17.30 | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN |
| Complex: TLA_D_12(2UYV) / Model_45(2UYV/D) = [3.1]
| Download | 356.19 | -8.50 | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN |
| Complex: TLA_A_5(2V9G) / Model_7(2V9G/A) = [3.7]
| Download | 666.33 | -13.61 | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN |
| Complex: 13P_A_4(2V2A) / Model_11(2V2A/A) = [3.7]
| Download | 370.34 | -8.59 | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN |
| Complex: TLA_D_12(2V9G) / Model_48(2V9G/D) = [4.1]
| Download | 464.99 | -11.17 | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN |
Consensus
[pKd Mean = 3.54] | - | 473
(s=112) | -11
(s=3) | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVAEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTERAFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGQSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN |