| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: TLA_A_3(4MRQ) / Model_1(4MRQ/A) = [3.7]
| Download | 693.75 | -15.35 | MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS |
| Complex: G16_A_2(2FKF) / Model_3(2FKF/A) = [4.3]
| Download | 1289.93 | -7.43 | MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS |
| Complex: R1P_X_2(2H4L) / Model_9(2H4L/X) = [4.3]
| Download | 500.18 | -7.52 | MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS |
| Complex: G1P_X_2(3BKQ) / Model_12(3BKQ/X) = [4.9]
| Download | 622.94 | -11.00 | MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS |
| Complex: M1P_X_2(1PCJ) / Model_7(1PCJ/X) = [4.9]
| Download | 460.89 | -8.38 | MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS |
Consensus
[pKd Mean = 4.42] | - | 713
(s=300) | -9
(s=3) | MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS |