Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: ADE_A_5(1HQC) / Model_10(1HQC/A) = [3.9]
| Download | 486.22 | 16.87 | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
Complex: ADE_A_5(1HQC) / Model_114(1HQC/A) = [3.9]
| Download | 461.21 | 16.87 | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
Complex: ADE_A_5(1HQC) / Model_103(1HQC/A) = [3.9]
| Download | 457.68 | 16.87 | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
Complex: ADE_B_6(1HQC) / Model_21(1HQC/B) = [4.0]
| Download | 406.92 | 23.83 | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
Complex: ANP_C_3(1IXS) / Model_9(1IXS/B) = [5.0]
| Download | 1267.00 | 22.72 | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
Consensus [pKd Mean = 4.14] | - | 615 (s=326) | 19 (s=3) | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |