| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: TZD_A_4(2C31) / Model_43(2C31/A) = [5.4]
| Download | 1294.63 | 29.35 | MTTRSASPCTVLTDGCHLVVDALKANDVDTIYGVVGIPITDLARAAQASGIRYIGFRHEASAGNAAAAAGFLTARPGVCLTTSGPGFLNGLPALANATTNCFPMIQISGSSSRPMVDLQRGDYQDLDQLNAARPFVKAAYRIGQVQDIGRGVARAIRTATSGRPGGVYLDIPGDVLGQAVEASAASGAIWRPVDPAPRLLPAPEAIDRALDVLAQAQRPLLVLSKGAAYAQADNVIREFVEHTGIPFLPMSMAKGLLPDSHPQSAAAARSLAMARADVVLLVGARLNWLLGNGESPQWSADAKFIQVDIEASEFDSNRPIVAPLTGDIGSVMSALLEAAADRSSVASAAWTGELADRKARNSAKMRRRLADDHHPMRFYNALGAIRSVLQRNPDVYVVNEGANALDLARNIIDMHLPRHRLDSGTWGVMGIGMGYAIAAAVETGRPVVAIEGDSAFGFSGMEFETICRYRLPVTVVILNNGGVYRGDEATIFRSAAPVWRHDPAPTVLNAHARHELIAEAFGGKGYHVSTPTELESALTDALASNGPSLIDCELDPADGVESGHLAKLNTTSAATPAISGDG |
| Complex: ACO_B_6(2Q29) / Model_21(2Q29/B) = [6.2]
| Download | 1581.40 | 26.11 | MTTRSASPCTVLTDGCHLVVDALKANDVDTIYGVVGIPITDLARAAQASGIRYIGFRHEASAGNAAAAAGFLTARPGVCLTTSGPGFLNGLPALANATTNCFPMIQISGSSSRPMVDLQRGDYQDLDQLNAARPFVKAAYRIGQVQDIGRGVARAIRTATSGRPGGVYLDIPGDVLGQAVEASAASGAIWRPVDPAPRLLPAPEAIDRALDVLAQAQRPLLVLSKGAAYAQADNVIREFVEHTGIPFLPMSMAKGLLPDSHPQSAAAARSLAMARADVVLLVGARLNWLLGNGESPQWSADAKFIQVDIEASEFDSNRPIVAPLTGDIGSVMSALLEAAADRSSVASAAWTGELADRKARNSAKMRRRLADDHHPMRFYNALGAIRSVLQRNPDVYVVNEGANALDLARNIIDMHLPRHRLDSGTWGVMGIGMGYAIAAAVETGRPVVAIEGDSAFGFSGMEFETICRYRLPVTVVILNNGGVYRGDEATIFRSAAPVWRHDPAPTVLNAHARHELIAEAFGGKGYHVSTPTELESALTDALASNGPSLIDCELDPADGVESGHLAKLNTTSAATPAISGDG |
| Complex: TPP_B_17(2Q27) / Model_23(2Q27/B) = [7.1]
| Download | 1028.33 | 36.50 | MTTRSASPCTVLTDGCHLVVDALKANDVDTIYGVVGIPITDLARAAQASGIRYIGFRHEASAGNAAAAAGFLTARPGVCLTTSGPGFLNGLPALANATTNCFPMIQISGSSSRPMVDLQRGDYQDLDQLNAARPFVKAAYRIGQVQDIGRGVARAIRTATSGRPGGVYLDIPGDVLGQAVEASAASGAIWRPVDPAPRLLPAPEAIDRALDVLAQAQRPLLVLSKGAAYAQADNVIREFVEHTGIPFLPMSMAKGLLPDSHPQSAAAARSLAMARADVVLLVGARLNWLLGNGESPQWSADAKFIQVDIEASEFDSNRPIVAPLTGDIGSVMSALLEAAADRSSVASAAWTGELADRKARNSAKMRRRLADDHHPMRFYNALGAIRSVLQRNPDVYVVNEGANALDLARNIIDMHLPRHRLDSGTWGVMGIGMGYAIAAAVETGRPVVAIEGDSAFGFSGMEFETICRYRLPVTVVILNNGGVYRGDEATIFRSAAPVWRHDPAPTVLNAHARHELIAEAFGGKGYHVSTPTELESALTDALASNGPSLIDCELDPADGVESGHLAKLNTTSAATPAISGDG |
| Complex: COA_B_11(2JIB) / Model_24(2JIB/B) = [7.1]
| Download | 2374.78 | 26.44 | MTTRSASPCTVLTDGCHLVVDALKANDVDTIYGVVGIPITDLARAAQASGIRYIGFRHEASAGNAAAAAGFLTARPGVCLTTSGPGFLNGLPALANATTNCFPMIQISGSSSRPMVDLQRGDYQDLDQLNAARPFVKAAYRIGQVQDIGRGVARAIRTATSGRPGGVYLDIPGDVLGQAVEASAASGAIWRPVDPAPRLLPAPEAIDRALDVLAQAQRPLLVLSKGAAYAQADNVIREFVEHTGIPFLPMSMAKGLLPDSHPQSAAAARSLAMARADVVLLVGARLNWLLGNGESPQWSADAKFIQVDIEASEFDSNRPIVAPLTGDIGSVMSALLEAAADRSSVASAAWTGELADRKARNSAKMRRRLADDHHPMRFYNALGAIRSVLQRNPDVYVVNEGANALDLARNIIDMHLPRHRLDSGTWGVMGIGMGYAIAAAVETGRPVVAIEGDSAFGFSGMEFETICRYRLPVTVVILNNGGVYRGDEATIFRSAAPVWRHDPAPTVLNAHARHELIAEAFGGKGYHVSTPTELESALTDALASNGPSLIDCELDPADGVESGHLAKLNTTSAATPAISGDG |
| Complex: COA_A_6(2JIB) / Model_9(2JIB/A) = [7.2]
| Download | 2091.96 | 27.44 | MTTRSASPCTVLTDGCHLVVDALKANDVDTIYGVVGIPITDLARAAQASGIRYIGFRHEASAGNAAAAAGFLTARPGVCLTTSGPGFLNGLPALANATTNCFPMIQISGSSSRPMVDLQRGDYQDLDQLNAARPFVKAAYRIGQVQDIGRGVARAIRTATSGRPGGVYLDIPGDVLGQAVEASAASGAIWRPVDPAPRLLPAPEAIDRALDVLAQAQRPLLVLSKGAAYAQADNVIREFVEHTGIPFLPMSMAKGLLPDSHPQSAAAARSLAMARADVVLLVGARLNWLLGNGESPQWSADAKFIQVDIEASEFDSNRPIVAPLTGDIGSVMSALLEAAADRSSVASAAWTGELADRKARNSAKMRRRLADDHHPMRFYNALGAIRSVLQRNPDVYVVNEGANALDLARNIIDMHLPRHRLDSGTWGVMGIGMGYAIAAAVETGRPVVAIEGDSAFGFSGMEFETICRYRLPVTVVILNNGGVYRGDEATIFRSAAPVWRHDPAPTVLNAHARHELIAEAFGGKGYHVSTPTELESALTDALASNGPSLIDCELDPADGVESGHLAKLNTTSAATPAISGDG |
Consensus
[pKd Mean = 6.60] | - | 1674
(s=497) | 29
(s=3) | MTTRSASPCTVLTDGCHLVVDALKANDVDTIYGVVGIPITDLARAAQASGIRYIGFRHEASAGNAAAAAGFLTARPGVCLTTSGPGFLNGLPALANATTNCFPMIQISGSSSRPMVDLQRGDYQDLDQLNAARPFVKAAYRIGQVQDIGRGVARAIRTATSGRPGGVYLDIPGDVLGQAVEASAASGAIWRPVDPAPRLLPAPEAIDRALDVLAQAQRPLLVLSKGAAYAQADNVIREFVEHTGIPFLPMSMAKGLLPDSHPQSAAAARSLAMARADVVLLVGARLNWLLGNGESPQWSADAKFIQVDIEASEFDSNRPIVAPLTGDIGSVMSALLEAAADRSSVASAAWTGELADRKARNSAKMRRRLADDHHPMRFYNALGAIRSVLQRNPDVYVVNEGANALDLARNIIDMHLPRHRLDSGTWGVMGIGMGYAIAAAVETGRPVVAIEGDSAFGFSGMEFETICRYRLPVTVVILNNGGVYRGDEATIFRSAAPVWRHDPAPTVLNAHARHELIAEAFGGKGYHVSTPTELESALTDALASNGPSLIDCELDPADGVESGHLAKLNTTSAATPAISGDG |