| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: TRS_A_2(4NEQ) / Model_9(4NEQ/A) = [3.5]
| Download | 424.93 | -9.15 | LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV |
| Complex: UD1_A_2(4NES) / Model_10(4NES/A) = [4.9]
| Download | 1516.39 | 11.43 | LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV |
| Complex: UD1_A_3(3BEO) / Model_2(3BEO/A) = [9.2]
| Download | 1150.36 | 17.94 | LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV |
| Complex: UD1_B_5(3BEO) / Model_20(3BEO/B) = [9.2]
| Download | 1024.40 | 17.12 | LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV |
| Complex: UD1_B_5(4FKZ) / Model_21(4FKZ/B) = [10.0]
| Download | 1195.97 | 17.24 | LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV |
Consensus
[pKd Mean = 7.36] | - | 1062
(s=357) | 10
(s=10) | LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV |