| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: C2E_B_7(3GG0) / Model_29(3GG0/B) = [4.5]
| Download | 895.81 | -3.50 | MEIHVTYNTTLICLSILIACTASYISLELSRKVTINTGLKSKIWLIGGSLIMGFGIWSMHFVGMMAVHMEMPMEYEFMPLMAAIGASVSGSFVSLYFVSRHILTYYRLLTGSVVLGASIASMHYIGMSAISRVMIIYEPILFTVSIIIAIAASFVSLKIFFDLAVKKHSEHLIFYKGVSSIVMGIGISGMHYTGMLAATFHKDMAPPGSHMEVQTFHWSIFVTLIIFCIQTLLLFSSHADRKFIKQSERIKDNEQRFQSLIVHNIDAIFILSLEGDIISSNHAGEEMISKFGFSMHDWRNYTSLKVKRLFEQVKKDKQAMNSDSDLITEKGQFHLNITLIPVEVNQELDSIYVICKDMTKQYKAEKEIHRMAHYDSLTDLPNRRHAISHLTKVLNREHSLHYNTVVFFLDLNRFKVINDALGHNVGDQLLQFAAKRLSSVVPDNGFIARLGGDEFIIILTDANTGTGEADVLARKIIQKFKKPFKIQDHTLVTSVSIGIAISPKDGTDGLELMKKADMAMYAAKERNKSKYRYYSFSIGNKETVKLNQEMVLREAIENDRFVLHYQPQFSVKKQKMTGAEALIRLVTPDGQLRPPGEFIGVAEETGLIIDIGKWIIDEACKQARIWHDKGYDLSVAINISARQFQSKDLIPLIKDTLNKYQLPPQLLEVEVTESMTMDNLNHSKKVLSSLTELGIRISIDDFGTGHSSLSYLKDFPIHRLKIDKSFIDDIQTHPKSEQITGAIIAMGHQLSLQVIAEGVENAAQKQLLFEKGCDHLQGFFFSRPIPPEQFEQFIIEQPSQ |
| Complex: C2E_B_7(3GFZ) / Model_31(3GFZ/B) = [5.1]
| Download | 1675.81 | -4.79 | MEIHVTYNTTLICLSILIACTASYISLELSRKVTINTGLKSKIWLIGGSLIMGFGIWSMHFVGMMAVHMEMPMEYEFMPLMAAIGASVSGSFVSLYFVSRHILTYYRLLTGSVVLGASIASMHYIGMSAISRVMIIYEPILFTVSIIIAIAASFVSLKIFFDLAVKKHSEHLIFYKGVSSIVMGIGISGMHYTGMLAATFHKDMAPPGSHMEVQTFHWSIFVTLIIFCIQTLLLFSSHADRKFIKQSERIKDNEQRFQSLIVHNIDAIFILSLEGDIISSNHAGEEMISKFGFSMHDWRNYTSLKVKRLFEQVKKDKQAMNSDSDLITEKGQFHLNITLIPVEVNQELDSIYVICKDMTKQYKAEKEIHRMAHYDSLTDLPNRRHAISHLTKVLNREHSLHYNTVVFFLDLNRFKVINDALGHNVGDQLLQFAAKRLSSVVPDNGFIARLGGDEFIIILTDANTGTGEADVLARKIIQKFKKPFKIQDHTLVTSVSIGIAISPKDGTDGLELMKKADMAMYAAKERNKSKYRYYSFSIGNKETVKLNQEMVLREAIENDRFVLHYQPQFSVKKQKMTGAEALIRLVTPDGQLRPPGEFIGVAEETGLIIDIGKWIIDEACKQARIWHDKGYDLSVAINISARQFQSKDLIPLIKDTLNKYQLPPQLLEVEVTESMTMDNLNHSKKVLSSLTELGIRISIDDFGTGHSSLSYLKDFPIHRLKIDKSFIDDIQTHPKSEQITGAIIAMGHQLSLQVIAEGVENAAQKQLLFEKGCDHLQGFFFSRPIPPEQFEQFIIEQPSQ |
| Complex: C2E_B_5(3GFY) / Model_33(3GFY/B) = [5.3]
| Download | 1192.09 | 2.88 | MEIHVTYNTTLICLSILIACTASYISLELSRKVTINTGLKSKIWLIGGSLIMGFGIWSMHFVGMMAVHMEMPMEYEFMPLMAAIGASVSGSFVSLYFVSRHILTYYRLLTGSVVLGASIASMHYIGMSAISRVMIIYEPILFTVSIIIAIAASFVSLKIFFDLAVKKHSEHLIFYKGVSSIVMGIGISGMHYTGMLAATFHKDMAPPGSHMEVQTFHWSIFVTLIIFCIQTLLLFSSHADRKFIKQSERIKDNEQRFQSLIVHNIDAIFILSLEGDIISSNHAGEEMISKFGFSMHDWRNYTSLKVKRLFEQVKKDKQAMNSDSDLITEKGQFHLNITLIPVEVNQELDSIYVICKDMTKQYKAEKEIHRMAHYDSLTDLPNRRHAISHLTKVLNREHSLHYNTVVFFLDLNRFKVINDALGHNVGDQLLQFAAKRLSSVVPDNGFIARLGGDEFIIILTDANTGTGEADVLARKIIQKFKKPFKIQDHTLVTSVSIGIAISPKDGTDGLELMKKADMAMYAAKERNKSKYRYYSFSIGNKETVKLNQEMVLREAIENDRFVLHYQPQFSVKKQKMTGAEALIRLVTPDGQLRPPGEFIGVAEETGLIIDIGKWIIDEACKQARIWHDKGYDLSVAINISARQFQSKDLIPLIKDTLNKYQLPPQLLEVEVTESMTMDNLNHSKKVLSSLTELGIRISIDDFGTGHSSLSYLKDFPIHRLKIDKSFIDDIQTHPKSEQITGAIIAMGHQLSLQVIAEGVENAAQKQLLFEKGCDHLQGFFFSRPIPPEQFEQFIIEQPSQ |
| Complex: C2E_B_7(3GG1) / Model_27(3GG1/B) = [5.6]
| Download | 1206.11 | -4.79 | MEIHVTYNTTLICLSILIACTASYISLELSRKVTINTGLKSKIWLIGGSLIMGFGIWSMHFVGMMAVHMEMPMEYEFMPLMAAIGASVSGSFVSLYFVSRHILTYYRLLTGSVVLGASIASMHYIGMSAISRVMIIYEPILFTVSIIIAIAASFVSLKIFFDLAVKKHSEHLIFYKGVSSIVMGIGISGMHYTGMLAATFHKDMAPPGSHMEVQTFHWSIFVTLIIFCIQTLLLFSSHADRKFIKQSERIKDNEQRFQSLIVHNIDAIFILSLEGDIISSNHAGEEMISKFGFSMHDWRNYTSLKVKRLFEQVKKDKQAMNSDSDLITEKGQFHLNITLIPVEVNQELDSIYVICKDMTKQYKAEKEIHRMAHYDSLTDLPNRRHAISHLTKVLNREHSLHYNTVVFFLDLNRFKVINDALGHNVGDQLLQFAAKRLSSVVPDNGFIARLGGDEFIIILTDANTGTGEADVLARKIIQKFKKPFKIQDHTLVTSVSIGIAISPKDGTDGLELMKKADMAMYAAKERNKSKYRYYSFSIGNKETVKLNQEMVLREAIENDRFVLHYQPQFSVKKQKMTGAEALIRLVTPDGQLRPPGEFIGVAEETGLIIDIGKWIIDEACKQARIWHDKGYDLSVAINISARQFQSKDLIPLIKDTLNKYQLPPQLLEVEVTESMTMDNLNHSKKVLSSLTELGIRISIDDFGTGHSSLSYLKDFPIHRLKIDKSFIDDIQTHPKSEQITGAIIAMGHQLSLQVIAEGVENAAQKQLLFEKGCDHLQGFFFSRPIPPEQFEQFIIEQPSQ |
| Complex: C2E_B_7(3GFX) / Model_35(3GFX/B) = [5.8]
| Download | 1550.14 | 0.30 | MEIHVTYNTTLICLSILIACTASYISLELSRKVTINTGLKSKIWLIGGSLIMGFGIWSMHFVGMMAVHMEMPMEYEFMPLMAAIGASVSGSFVSLYFVSRHILTYYRLLTGSVVLGASIASMHYIGMSAISRVMIIYEPILFTVSIIIAIAASFVSLKIFFDLAVKKHSEHLIFYKGVSSIVMGIGISGMHYTGMLAATFHKDMAPPGSHMEVQTFHWSIFVTLIIFCIQTLLLFSSHADRKFIKQSERIKDNEQRFQSLIVHNIDAIFILSLEGDIISSNHAGEEMISKFGFSMHDWRNYTSLKVKRLFEQVKKDKQAMNSDSDLITEKGQFHLNITLIPVEVNQELDSIYVICKDMTKQYKAEKEIHRMAHYDSLTDLPNRRHAISHLTKVLNREHSLHYNTVVFFLDLNRFKVINDALGHNVGDQLLQFAAKRLSSVVPDNGFIARLGGDEFIIILTDANTGTGEADVLARKIIQKFKKPFKIQDHTLVTSVSIGIAISPKDGTDGLELMKKADMAMYAAKERNKSKYRYYSFSIGNKETVKLNQEMVLREAIENDRFVLHYQPQFSVKKQKMTGAEALIRLVTPDGQLRPPGEFIGVAEETGLIIDIGKWIIDEACKQARIWHDKGYDLSVAINISARQFQSKDLIPLIKDTLNKYQLPPQLLEVEVTESMTMDNLNHSKKVLSSLTELGIRISIDDFGTGHSSLSYLKDFPIHRLKIDKSFIDDIQTHPKSEQITGAIIAMGHQLSLQVIAEGVENAAQKQLLFEKGCDHLQGFFFSRPIPPEQFEQFIIEQPSQ |
Consensus
[pKd Mean = 5.26] | - | 1303
(s=278) | -1
(s=3) | MEIHVTYNTTLICLSILIACTASYISLELSRKVTINTGLKSKIWLIGGSLIMGFGIWSMHFVGMMAVHMEMPMEYEFMPLMAAIGASVSGSFVSLYFVSRHILTYYRLLTGSVVLGASIASMHYIGMSAISRVMIIYEPILFTVSIIIAIAASFVSLKIFFDLAVKKHSEHLIFYKGVSSIVMGIGISGMHYTGMLAATFHKDMAPPGSHMEVQTFHWSIFVTLIIFCIQTLLLFSSHADRKFIKQSERIKDNEQRFQSLIVHNIDAIFILSLEGDIISSNHAGEEMISKFGFSMHDWRNYTSLKVKRLFEQVKKDKQAMNSDSDLITEKGQFHLNITLIPVEVNQELDSIYVICKDMTKQYKAEKEIHRMAHYDSLTDLPNRRHAISHLTKVLNREHSLHYNTVVFFLDLNRFKVINDALGHNVGDQLLQFAAKRLSSVVPDNGFIARLGGDEFIIILTDANTGTGEADVLARKIIQKFKKPFKIQDHTLVTSVSIGIAISPKDGTDGLELMKKADMAMYAAKERNKSKYRYYSFSIGNKETVKLNQEMVLREAIENDRFVLHYQPQFSVKKQKMTGAEALIRLVTPDGQLRPPGEFIGVAEETGLIIDIGKWIIDEACKQARIWHDKGYDLSVAINISARQFQSKDLIPLIKDTLNKYQLPPQLLEVEVTESMTMDNLNHSKKVLSSLTELGIRISIDDFGTGHSSLSYLKDFPIHRLKIDKSFIDDIQTHPKSEQITGAIIAMGHQLSLQVIAEGVENAAQKQLLFEKGCDHLQGFFFSRPIPPEQFEQFIIEQPSQ |