| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: PHE_A_5(3B34) / Model_50(3B34/A) = [3.2]
| Download | 13375.31 | 31.39 | MALPNLTRDQAVERAALITVDSYQIILDVTDGNGAPGERTFRSTTTVVFDALPGADTVIDISAHTVRRASLNDQDLDVSGYDEAAGIPLRGLAQRNVVVVDADCHYSNTGEGLHRFVDPVDGETYLYSQFETADAKRMFACFDQPDLKATFDVRVTAPAHWKVISNGAPLAAANGVHTFATTPRMSTYLVALIAGPYAAWTDTYIDDHGEIPLGIYCRASLAEYMDAERLFTQTKQGFGFYHKHFGLPYAFGKYDQLFVPEFNAGAMENAGAVTFLEDYVFRSKVTRASYERRAETVLHEMAHMWFGDLVTMTWWDDLWLNESFATFASVLCQSEATEFTEAWTTFATVEKSWAYRQDQLPSTHPIAADIPDLAAVEVNFDGITYAKGASVLKQLVAYVGLERFLAGLRDYFRTHAFGNASFDDLLAALEKASGRDLSNWGEQWLKTTGLNTLRPDFEVDAEGRFTRFAVTQSGAAPGAGETRVHRLAVGIYDDDGSKSSGKLVRVHREELDVSGPITNVPALVGVSRGKLILVNDDDLTYCSLRLDERSLQTALDRIADIAEPLPRTLVWSAAWEMTREAELRARDFVSLVSGGVHAETEVGVAQRLLLQAQTALGCYAEPGWARERGWPQFADRLLELAREAEPGSDHQLAYINSLCSSVLSPRHVQTLGALLEGEPAACGLAGLAVDTDLRWRIVTALATAGAIDADGPETPRIDAEVQRDPTAAGKRHAAQARAARPQFVVKDEAFTTVVEDDTLANATGRAMIAGIAAPGQGELLKPFARRYFQAIPGVWARRSSEVAQSVVIGLYPHWDISEQGITAAEEFLSDPEVPPALRRLVLEGQAAVQRSLRARNFDADG |
| Complex: CHAIN_B_2(4OU3) / Model_13(4OU3/A) = [3.5]
| Download | - | - | MALPNLTRDQAVERAALITVDSYQIILDVTDGNGAPGERTFRSTTTVVFDALPGADTVIDISAHTVRRASLNDQDLDVSGYDEAAGIPLRGLAQRNVVVVDADCHYSNTGEGLHRFVDPVDGETYLYSQFETADAKRMFACFDQPDLKATFDVRVTAPAHWKVISNGAPLAAANGVHTFATTPRMSTYLVALIAGPYAAWTDTYIDDHGEIPLGIYCRASLAEYMDAERLFTQTKQGFGFYHKHFGLPYAFGKYDQLFVPEFNAGAMENAGAVTFLEDYVFRSKVTRASYERRAETVLHEMAHMWFGDLVTMTWWDDLWLNESFATFASVLCQSEATEFTEAWTTFATVEKSWAYRQDQLPSTHPIAADIPDLAAVEVNFDGITYAKGASVLKQLVAYVGLERFLAGLRDYFRTHAFGNASFDDLLAALEKASGRDLSNWGEQWLKTTGLNTLRPDFEVDAEGRFTRFAVTQSGAAPGAGETRVHRLAVGIYDDDGSKSSGKLVRVHREELDVSGPITNVPALVGVSRGKLILVNDDDLTYCSLRLDERSLQTALDRIADIAEPLPRTLVWSAAWEMTREAELRARDFVSLVSGGVHAETEVGVAQRLLLQAQTALGCYAEPGWARERGWPQFADRLLELAREAEPGSDHQLAYINSLCSSVLSPRHVQTLGALLEGEPAACGLAGLAVDTDLRWRIVTALATAGAIDADGPETPRIDAEVQRDPTAAGKRHAAQARAARPQFVVKDEAFTTVVEDDTLANATGRAMIAGIAAPGQGELLKPFARRYFQAIPGVWARRSSEVAQSVVIGLYPHWDISEQGITAAEEFLSDPEVPPALRRLVLEGQAAVQRSLRARNFDADG |
| Complex: GLU_A_12(4KXD) / Model_10(4KXD/A) = [3.6]
| Download | 6068.99 | 34.96 | MALPNLTRDQAVERAALITVDSYQIILDVTDGNGAPGERTFRSTTTVVFDALPGADTVIDISAHTVRRASLNDQDLDVSGYDEAAGIPLRGLAQRNVVVVDADCHYSNTGEGLHRFVDPVDGETYLYSQFETADAKRMFACFDQPDLKATFDVRVTAPAHWKVISNGAPLAAANGVHTFATTPRMSTYLVALIAGPYAAWTDTYIDDHGEIPLGIYCRASLAEYMDAERLFTQTKQGFGFYHKHFGLPYAFGKYDQLFVPEFNAGAMENAGAVTFLEDYVFRSKVTRASYERRAETVLHEMAHMWFGDLVTMTWWDDLWLNESFATFASVLCQSEATEFTEAWTTFATVEKSWAYRQDQLPSTHPIAADIPDLAAVEVNFDGITYAKGASVLKQLVAYVGLERFLAGLRDYFRTHAFGNASFDDLLAALEKASGRDLSNWGEQWLKTTGLNTLRPDFEVDAEGRFTRFAVTQSGAAPGAGETRVHRLAVGIYDDDGSKSSGKLVRVHREELDVSGPITNVPALVGVSRGKLILVNDDDLTYCSLRLDERSLQTALDRIADIAEPLPRTLVWSAAWEMTREAELRARDFVSLVSGGVHAETEVGVAQRLLLQAQTALGCYAEPGWARERGWPQFADRLLELAREAEPGSDHQLAYINSLCSSVLSPRHVQTLGALLEGEPAACGLAGLAVDTDLRWRIVTALATAGAIDADGPETPRIDAEVQRDPTAAGKRHAAQARAARPQFVVKDEAFTTVVEDDTLANATGRAMIAGIAAPGQGELLKPFARRYFQAIPGVWARRSSEVAQSVVIGLYPHWDISEQGITAAEEFLSDPEVPPALRRLVLEGQAAVQRSLRARNFDADG |
| Complex: ASP_A_12(4KXA) / Model_7(4KXA/A) = [3.6]
| Download | 9363.61 | 31.44 | MALPNLTRDQAVERAALITVDSYQIILDVTDGNGAPGERTFRSTTTVVFDALPGADTVIDISAHTVRRASLNDQDLDVSGYDEAAGIPLRGLAQRNVVVVDADCHYSNTGEGLHRFVDPVDGETYLYSQFETADAKRMFACFDQPDLKATFDVRVTAPAHWKVISNGAPLAAANGVHTFATTPRMSTYLVALIAGPYAAWTDTYIDDHGEIPLGIYCRASLAEYMDAERLFTQTKQGFGFYHKHFGLPYAFGKYDQLFVPEFNAGAMENAGAVTFLEDYVFRSKVTRASYERRAETVLHEMAHMWFGDLVTMTWWDDLWLNESFATFASVLCQSEATEFTEAWTTFATVEKSWAYRQDQLPSTHPIAADIPDLAAVEVNFDGITYAKGASVLKQLVAYVGLERFLAGLRDYFRTHAFGNASFDDLLAALEKASGRDLSNWGEQWLKTTGLNTLRPDFEVDAEGRFTRFAVTQSGAAPGAGETRVHRLAVGIYDDDGSKSSGKLVRVHREELDVSGPITNVPALVGVSRGKLILVNDDDLTYCSLRLDERSLQTALDRIADIAEPLPRTLVWSAAWEMTREAELRARDFVSLVSGGVHAETEVGVAQRLLLQAQTALGCYAEPGWARERGWPQFADRLLELAREAEPGSDHQLAYINSLCSSVLSPRHVQTLGALLEGEPAACGLAGLAVDTDLRWRIVTALATAGAIDADGPETPRIDAEVQRDPTAAGKRHAAQARAARPQFVVKDEAFTTVVEDDTLANATGRAMIAGIAAPGQGELLKPFARRYFQAIPGVWARRSSEVAQSVVIGLYPHWDISEQGITAAEEFLSDPEVPPALRRLVLEGQAAVQRSLRARNFDADG |
| Complex: ACY_A_22(4FYQ) / Model_18(4FYQ/A) = [3.8]
| Download | 255.87 | 1.92 | MALPNLTRDQAVERAALITVDSYQIILDVTDGNGAPGERTFRSTTTVVFDALPGADTVIDISAHTVRRASLNDQDLDVSGYDEAAGIPLRGLAQRNVVVVDADCHYSNTGEGLHRFVDPVDGETYLYSQFETADAKRMFACFDQPDLKATFDVRVTAPAHWKVISNGAPLAAANGVHTFATTPRMSTYLVALIAGPYAAWTDTYIDDHGEIPLGIYCRASLAEYMDAERLFTQTKQGFGFYHKHFGLPYAFGKYDQLFVPEFNAGAMENAGAVTFLEDYVFRSKVTRASYERRAETVLHEMAHMWFGDLVTMTWWDDLWLNESFATFASVLCQSEATEFTEAWTTFATVEKSWAYRQDQLPSTHPIAADIPDLAAVEVNFDGITYAKGASVLKQLVAYVGLERFLAGLRDYFRTHAFGNASFDDLLAALEKASGRDLSNWGEQWLKTTGLNTLRPDFEVDAEGRFTRFAVTQSGAAPGAGETRVHRLAVGIYDDDGSKSSGKLVRVHREELDVSGPITNVPALVGVSRGKLILVNDDDLTYCSLRLDERSLQTALDRIADIAEPLPRTLVWSAAWEMTREAELRARDFVSLVSGGVHAETEVGVAQRLLLQAQTALGCYAEPGWARERGWPQFADRLLELAREAEPGSDHQLAYINSLCSSVLSPRHVQTLGALLEGEPAACGLAGLAVDTDLRWRIVTALATAGAIDADGPETPRIDAEVQRDPTAAGKRHAAQARAARPQFVVKDEAFTTVVEDDTLANATGRAMIAGIAAPGQGELLKPFARRYFQAIPGVWARRSSEVAQSVVIGLYPHWDISEQGITAAEEFLSDPEVPPALRRLVLEGQAAVQRSLRARNFDADG |
Consensus
[pKd Mean = 3.54] | - | 7265
(s=4803) | 24
(s=13) | MALPNLTRDQAVERAALITVDSYQIILDVTDGNGAPGERTFRSTTTVVFDALPGADTVIDISAHTVRRASLNDQDLDVSGYDEAAGIPLRGLAQRNVVVVDADCHYSNTGEGLHRFVDPVDGETYLYSQFETADAKRMFACFDQPDLKATFDVRVTAPAHWKVISNGAPLAAANGVHTFATTPRMSTYLVALIAGPYAAWTDTYIDDHGEIPLGIYCRASLAEYMDAERLFTQTKQGFGFYHKHFGLPYAFGKYDQLFVPEFNAGAMENAGAVTFLEDYVFRSKVTRASYERRAETVLHEMAHMWFGDLVTMTWWDDLWLNESFATFASVLCQSEATEFTEAWTTFATVEKSWAYRQDQLPSTHPIAADIPDLAAVEVNFDGITYAKGASVLKQLVAYVGLERFLAGLRDYFRTHAFGNASFDDLLAALEKASGRDLSNWGEQWLKTTGLNTLRPDFEVDAEGRFTRFAVTQSGAAPGAGETRVHRLAVGIYDDDGSKSSGKLVRVHREELDVSGPITNVPALVGVSRGKLILVNDDDLTYCSLRLDERSLQTALDRIADIAEPLPRTLVWSAAWEMTREAELRARDFVSLVSGGVHAETEVGVAQRLLLQAQTALGCYAEPGWARERGWPQFADRLLELAREAEPGSDHQLAYINSLCSSVLSPRHVQTLGALLEGEPAACGLAGLAVDTDLRWRIVTALATAGAIDADGPETPRIDAEVQRDPTAAGKRHAAQARAARPQFVVKDEAFTTVVEDDTLANATGRAMIAGIAAPGQGELLKPFARRYFQAIPGVWARRSSEVAQSVVIGLYPHWDISEQGITAAEEFLSDPEVPPALRRLVLEGQAAVQRSLRARNFDADG |