| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: 486_D_11(3H52) / Model_101(3H52/D) = [3.5]
| Download | 853.21 | 52.36 | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTNENSYMEIVNVSCVSGATPNNSTQGSSKEKHELLPCLQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPAKIYQNMEQLVKFYKENGHRSSTLSAISRPLRSFMPDSGTSMNGGALRAIVKSPIICHEKSPSVCSPLNMPSSVCSPAGINSMSSSTASFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPVHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNTNNRSTLSSPTASTVGSIGSPISNAFSYTTSGASAGAGAIQDMVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNNKINPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDSSCEGSAFPGGIKQEPDDGSYFPETSIPSSAIIGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNALVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLASITRALTPSPSMILENIEPEIVYAGYDNSKPDTAESLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVNDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK |
| Complex: 866_A_5(3E7C) / Model_64(3E7C/A) = [3.5]
| Download | 1124.08 | 51.50 | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTNENSYMEIVNVSCVSGATPNNSTQGSSKEKHELLPCLQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPAKIYQNMEQLVKFYKENGHRSSTLSAISRPLRSFMPDSGTSMNGGALRAIVKSPIICHEKSPSVCSPLNMPSSVCSPAGINSMSSSTASFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPVHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNTNNRSTLSSPTASTVGSIGSPISNAFSYTTSGASAGAGAIQDMVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNNKINPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDSSCEGSAFPGGIKQEPDDGSYFPETSIPSSAIIGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNALVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLASITRALTPSPSMILENIEPEIVYAGYDNSKPDTAESLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVNDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK |
| Complex: AS0_B_5(4A2J) / Model_75(4A2J/B) = [4.1]
| Download | 901.53 | 55.03 | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTNENSYMEIVNVSCVSGATPNNSTQGSSKEKHELLPCLQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPAKIYQNMEQLVKFYKENGHRSSTLSAISRPLRSFMPDSGTSMNGGALRAIVKSPIICHEKSPSVCSPLNMPSSVCSPAGINSMSSSTASFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPVHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNTNNRSTLSSPTASTVGSIGSPISNAFSYTTSGASAGAGAIQDMVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNNKINPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDSSCEGSAFPGGIKQEPDDGSYFPETSIPSSAIIGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNALVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLASITRALTPSPSMILENIEPEIVYAGYDNSKPDTAESLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVNDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK |
| Complex: 056_A_5(2YLP) / Model_171(2YLP/A) = [4.2]
| Download | 835.05 | 36.33 | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTNENSYMEIVNVSCVSGATPNNSTQGSSKEKHELLPCLQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPAKIYQNMEQLVKFYKENGHRSSTLSAISRPLRSFMPDSGTSMNGGALRAIVKSPIICHEKSPSVCSPLNMPSSVCSPAGINSMSSSTASFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPVHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNTNNRSTLSSPTASTVGSIGSPISNAFSYTTSGASAGAGAIQDMVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNNKINPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDSSCEGSAFPGGIKQEPDDGSYFPETSIPSSAIIGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNALVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLASITRALTPSPSMILENIEPEIVYAGYDNSKPDTAESLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVNDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK |
| Complex: 486_C_10(3H52) / Model_102(3H52/C) = [4.4]
| Download | 1076.21 | 50.37 | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTNENSYMEIVNVSCVSGATPNNSTQGSSKEKHELLPCLQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPAKIYQNMEQLVKFYKENGHRSSTLSAISRPLRSFMPDSGTSMNGGALRAIVKSPIICHEKSPSVCSPLNMPSSVCSPAGINSMSSSTASFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPVHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNTNNRSTLSSPTASTVGSIGSPISNAFSYTTSGASAGAGAIQDMVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNNKINPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDSSCEGSAFPGGIKQEPDDGSYFPETSIPSSAIIGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNALVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLASITRALTPSPSMILENIEPEIVYAGYDNSKPDTAESLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVNDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK |
Consensus
[pKd Mean = 3.94] | - | 958
(s=119) | 49
(s=6) | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTNENSYMEIVNVSCVSGATPNNSTQGSSKEKHELLPCLQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPAKIYQNMEQLVKFYKENGHRSSTLSAISRPLRSFMPDSGTSMNGGALRAIVKSPIICHEKSPSVCSPLNMPSSVCSPAGINSMSSSTASFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPVHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNTNNRSTLSSPTASTVGSIGSPISNAFSYTTSGASAGAGAIQDMVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNNKINPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDSSCEGSAFPGGIKQEPDDGSYFPETSIPSSAIIGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNALVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLASITRALTPSPSMILENIEPEIVYAGYDNSKPDTAESLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVNDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK |