Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
Complex: 313_B_6(3CHG) / Model_22(3CHG/B) = [3.1]
| Download | 224.13 | 14.93 | LLKKLITTAVLAMLIFTLAACGTTLAPYDAKKDLGEQINYTITGIDAGAGIMLATQNAIKDYHLDDDNWQLQTSSTAAMTSTLQKAMKDKRPIVVTGWTPHWMFTKFDLKFLDDPKNVYGNAENIHTIVRKGLKEDKPSAYQVLDNFFWTAEDMSEVMLEVNDGVDPEEAAKKWIKNNPDKVAKWTDGVEKVDGDEIKLTYVAWDSEIASTNVVAEALKQVGYKPTIQAMEIQPMWASVATDAADGMVAAWLPNTSGIYYKDYKGKFEDLGPNLKGAKIGLAVPKYMTNINSIEDLKTSK |
Complex: 313_D_5(3CHG) / Model_3(3CHG/D) = [3.4]
| Download | 222.19 | 14.93 | LLKKLITTAVLAMLIFTLAACGTTLAPYDAKKDLGEQINYTITGIDAGAGIMLATQNAIKDYHLDDDNWQLQTSSTAAMTSTLQKAMKDKRPIVVTGWTPHWMFTKFDLKFLDDPKNVYGNAENIHTIVRKGLKEDKPSAYQVLDNFFWTAEDMSEVMLEVNDGVDPEEAAKKWIKNNPDKVAKWTDGVEKVDGDEIKLTYVAWDSEIASTNVVAEALKQVGYKPTIQAMEIQPMWASVATDAADGMVAAWLPNTSGIYYKDYKGKFEDLGPNLKGAKIGLAVPKYMTNINSIEDLKTSK |
Complex: 313_C_7(3CHG) / Model_21(3CHG/C) = [3.7]
| Download | 241.22 | 16.46 | LLKKLITTAVLAMLIFTLAACGTTLAPYDAKKDLGEQINYTITGIDAGAGIMLATQNAIKDYHLDDDNWQLQTSSTAAMTSTLQKAMKDKRPIVVTGWTPHWMFTKFDLKFLDDPKNVYGNAENIHTIVRKGLKEDKPSAYQVLDNFFWTAEDMSEVMLEVNDGVDPEEAAKKWIKNNPDKVAKWTDGVEKVDGDEIKLTYVAWDSEIASTNVVAEALKQVGYKPTIQAMEIQPMWASVATDAADGMVAAWLPNTSGIYYKDYKGKFEDLGPNLKGAKIGLAVPKYMTNINSIEDLKTSK |
Complex: BET_B_2(2B4L) / Model_31(2B4L/A) = [3.9]
| Download | 243.30 | 20.71 | LLKKLITTAVLAMLIFTLAACGTTLAPYDAKKDLGEQINYTITGIDAGAGIMLATQNAIKDYHLDDDNWQLQTSSTAAMTSTLQKAMKDKRPIVVTGWTPHWMFTKFDLKFLDDPKNVYGNAENIHTIVRKGLKEDKPSAYQVLDNFFWTAEDMSEVMLEVNDGVDPEEAAKKWIKNNPDKVAKWTDGVEKVDGDEIKLTYVAWDSEIASTNVVAEALKQVGYKPTIQAMEIQPMWASVATDAADGMVAAWLPNTSGIYYKDYKGKFEDLGPNLKGAKIGLAVPKYMTNINSIEDLKTSK |
Complex: BET_B_2(2B4L) / Model_51(2B4L/A) = [3.9]
| Download | 205.16 | 20.71 | LLKKLITTAVLAMLIFTLAACGTTLAPYDAKKDLGEQINYTITGIDAGAGIMLATQNAIKDYHLDDDNWQLQTSSTAAMTSTLQKAMKDKRPIVVTGWTPHWMFTKFDLKFLDDPKNVYGNAENIHTIVRKGLKEDKPSAYQVLDNFFWTAEDMSEVMLEVNDGVDPEEAAKKWIKNNPDKVAKWTDGVEKVDGDEIKLTYVAWDSEIASTNVVAEALKQVGYKPTIQAMEIQPMWASVATDAADGMVAAWLPNTSGIYYKDYKGKFEDLGPNLKGAKIGLAVPKYMTNINSIEDLKTSK |
Consensus [pKd Mean = 3.60] | - | 227 (s=13) | 17 (s=2) | LLKKLITTAVLAMLIFTLAACGTTLAPYDAKKDLGEQINYTITGIDAGAGIMLATQNAIKDYHLDDDNWQLQTSSTAAMTSTLQKAMKDKRPIVVTGWTPHWMFTKFDLKFLDDPKNVYGNAENIHTIVRKGLKEDKPSAYQVLDNFFWTAEDMSEVMLEVNDGVDPEEAAKKWIKNNPDKVAKWTDGVEKVDGDEIKLTYVAWDSEIASTNVVAEALKQVGYKPTIQAMEIQPMWASVATDAADGMVAAWLPNTSGIYYKDYKGKFEDLGPNLKGAKIGLAVPKYMTNINSIEDLKTSK |