| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: GOL_A_6(3RR7) / Model_10(3RR7/A) = [3.6]
| Download | 682.74 | 16.46 | MEQPVIKEGTLALIDTFAYLFRSYYMSAKNKPLTNDKGFPTGLLTGLVGMVKKFYKDRKNMPFIVFALESQTKTKRAEKLGEYKQNRKDAPKEMLLQIPIALEWLQKMGFTCVEVGGFEADDVIASLATLSPYKTRIYSKDKDFNQLLSDKIALFDGKTEFLAKDCVEKYGILPSQFTDYQGIVGDSSDNYKGVKGIGSKNAKELLQRLGSLEKIYENLDLAKNLLSPKMYQALIQDKGSAFLSKELATLERGCIKEFDFLSCAFPSENPLLKIKDELKEYGFISTLRDLENSPFIVENVPILNSTPILDNTPALDNAPKKSRMIVLESAEPLSMFLEKLENPNARVFMRLVLDKDKKILALAFLLQDQGYFLPLEEALFSPFSLEFLQNAFSQMLQHACIIGHDLKPLLSFLKAKYQVPLENIRIQDTQILAFLKNPEKVGFDEVLKEYLKEDLIPHEKIKDFKTKSKAEKSELLSMELNALKRLCEYFEKGGLEEDLLTLARDIETPFVKVLMGMEFQGFKIDAPYFKRLEQEFKNELNVLERQILDLIGVDFNLNSPKQLGEVLYDKLGLPKNKSHSTDEKNLLKILDKHPSIPLILEYRELNKLFNTYTTPLLRLKDKDDKIHTTFIQTGTATGRLSSHSPNLQNIPVRSPKGLLIRKGFIASSKEYCLLGVDYSQIELRLLAHFSQDKDLMEAFLKGRDIHLETSKALFGEDLAKEKRSIAKSINFGLVYGMGSKKLSETLSIPLSEAKSYIEAYFKRFPSIKDYLNGMREEILKTSKAFTLLGRYRVFDFTGVNDYVKGNYLREGVNAIFQGSASDLLKLGMLKVSERFKNNPSVRLLLQVHDELIFEIEEKNAPELQQEIQRILNDEVYPLRVPLETSAFIAKRWNELKG |
| Complex: NACID_C_3(4B9V) / Model_36(4B9V/A) = [3.7]
| Download | - | - | MEQPVIKEGTLALIDTFAYLFRSYYMSAKNKPLTNDKGFPTGLLTGLVGMVKKFYKDRKNMPFIVFALESQTKTKRAEKLGEYKQNRKDAPKEMLLQIPIALEWLQKMGFTCVEVGGFEADDVIASLATLSPYKTRIYSKDKDFNQLLSDKIALFDGKTEFLAKDCVEKYGILPSQFTDYQGIVGDSSDNYKGVKGIGSKNAKELLQRLGSLEKIYENLDLAKNLLSPKMYQALIQDKGSAFLSKELATLERGCIKEFDFLSCAFPSENPLLKIKDELKEYGFISTLRDLENSPFIVENVPILNSTPILDNTPALDNAPKKSRMIVLESAEPLSMFLEKLENPNARVFMRLVLDKDKKILALAFLLQDQGYFLPLEEALFSPFSLEFLQNAFSQMLQHACIIGHDLKPLLSFLKAKYQVPLENIRIQDTQILAFLKNPEKVGFDEVLKEYLKEDLIPHEKIKDFKTKSKAEKSELLSMELNALKRLCEYFEKGGLEEDLLTLARDIETPFVKVLMGMEFQGFKIDAPYFKRLEQEFKNELNVLERQILDLIGVDFNLNSPKQLGEVLYDKLGLPKNKSHSTDEKNLLKILDKHPSIPLILEYRELNKLFNTYTTPLLRLKDKDDKIHTTFIQTGTATGRLSSHSPNLQNIPVRSPKGLLIRKGFIASSKEYCLLGVDYSQIELRLLAHFSQDKDLMEAFLKGRDIHLETSKALFGEDLAKEKRSIAKSINFGLVYGMGSKKLSETLSIPLSEAKSYIEAYFKRFPSIKDYLNGMREEILKTSKAFTLLGRYRVFDFTGVNDYVKGNYLREGVNAIFQGSASDLLKLGMLKVSERFKNNPSVRLLLQVHDELIFEIEEKNAPELQQEIQRILNDEVYPLRVPLETSAFIAKRWNELKG |
| Complex: NACID_C_3(4B9T) / Model_38(4B9T/A) = [3.9]
| Download | - | - | MEQPVIKEGTLALIDTFAYLFRSYYMSAKNKPLTNDKGFPTGLLTGLVGMVKKFYKDRKNMPFIVFALESQTKTKRAEKLGEYKQNRKDAPKEMLLQIPIALEWLQKMGFTCVEVGGFEADDVIASLATLSPYKTRIYSKDKDFNQLLSDKIALFDGKTEFLAKDCVEKYGILPSQFTDYQGIVGDSSDNYKGVKGIGSKNAKELLQRLGSLEKIYENLDLAKNLLSPKMYQALIQDKGSAFLSKELATLERGCIKEFDFLSCAFPSENPLLKIKDELKEYGFISTLRDLENSPFIVENVPILNSTPILDNTPALDNAPKKSRMIVLESAEPLSMFLEKLENPNARVFMRLVLDKDKKILALAFLLQDQGYFLPLEEALFSPFSLEFLQNAFSQMLQHACIIGHDLKPLLSFLKAKYQVPLENIRIQDTQILAFLKNPEKVGFDEVLKEYLKEDLIPHEKIKDFKTKSKAEKSELLSMELNALKRLCEYFEKGGLEEDLLTLARDIETPFVKVLMGMEFQGFKIDAPYFKRLEQEFKNELNVLERQILDLIGVDFNLNSPKQLGEVLYDKLGLPKNKSHSTDEKNLLKILDKHPSIPLILEYRELNKLFNTYTTPLLRLKDKDDKIHTTFIQTGTATGRLSSHSPNLQNIPVRSPKGLLIRKGFIASSKEYCLLGVDYSQIELRLLAHFSQDKDLMEAFLKGRDIHLETSKALFGEDLAKEKRSIAKSINFGLVYGMGSKKLSETLSIPLSEAKSYIEAYFKRFPSIKDYLNGMREEILKTSKAFTLLGRYRVFDFTGVNDYVKGNYLREGVNAIFQGSASDLLKLGMLKVSERFKNNPSVRLLLQVHDELIFEIEEKNAPELQQEIQRILNDEVYPLRVPLETSAFIAKRWNELKG |
| Complex: NACID_C_2(2HHS) / Model_63(2HHS/A) = [3.9]
| Download | - | - | MEQPVIKEGTLALIDTFAYLFRSYYMSAKNKPLTNDKGFPTGLLTGLVGMVKKFYKDRKNMPFIVFALESQTKTKRAEKLGEYKQNRKDAPKEMLLQIPIALEWLQKMGFTCVEVGGFEADDVIASLATLSPYKTRIYSKDKDFNQLLSDKIALFDGKTEFLAKDCVEKYGILPSQFTDYQGIVGDSSDNYKGVKGIGSKNAKELLQRLGSLEKIYENLDLAKNLLSPKMYQALIQDKGSAFLSKELATLERGCIKEFDFLSCAFPSENPLLKIKDELKEYGFISTLRDLENSPFIVENVPILNSTPILDNTPALDNAPKKSRMIVLESAEPLSMFLEKLENPNARVFMRLVLDKDKKILALAFLLQDQGYFLPLEEALFSPFSLEFLQNAFSQMLQHACIIGHDLKPLLSFLKAKYQVPLENIRIQDTQILAFLKNPEKVGFDEVLKEYLKEDLIPHEKIKDFKTKSKAEKSELLSMELNALKRLCEYFEKGGLEEDLLTLARDIETPFVKVLMGMEFQGFKIDAPYFKRLEQEFKNELNVLERQILDLIGVDFNLNSPKQLGEVLYDKLGLPKNKSHSTDEKNLLKILDKHPSIPLILEYRELNKLFNTYTTPLLRLKDKDDKIHTTFIQTGTATGRLSSHSPNLQNIPVRSPKGLLIRKGFIASSKEYCLLGVDYSQIELRLLAHFSQDKDLMEAFLKGRDIHLETSKALFGEDLAKEKRSIAKSINFGLVYGMGSKKLSETLSIPLSEAKSYIEAYFKRFPSIKDYLNGMREEILKTSKAFTLLGRYRVFDFTGVNDYVKGNYLREGVNAIFQGSASDLLKLGMLKVSERFKNNPSVRLLLQVHDELIFEIEEKNAPELQQEIQRILNDEVYPLRVPLETSAFIAKRWNELKG |
| Complex: DCP_B_2(5KTQ) / Model_25(5KTQ/A) = [4.0]
| Download | 2040.14 | 18.33 | MEQPVIKEGTLALIDTFAYLFRSYYMSAKNKPLTNDKGFPTGLLTGLVGMVKKFYKDRKNMPFIVFALESQTKTKRAEKLGEYKQNRKDAPKEMLLQIPIALEWLQKMGFTCVEVGGFEADDVIASLATLSPYKTRIYSKDKDFNQLLSDKIALFDGKTEFLAKDCVEKYGILPSQFTDYQGIVGDSSDNYKGVKGIGSKNAKELLQRLGSLEKIYENLDLAKNLLSPKMYQALIQDKGSAFLSKELATLERGCIKEFDFLSCAFPSENPLLKIKDELKEYGFISTLRDLENSPFIVENVPILNSTPILDNTPALDNAPKKSRMIVLESAEPLSMFLEKLENPNARVFMRLVLDKDKKILALAFLLQDQGYFLPLEEALFSPFSLEFLQNAFSQMLQHACIIGHDLKPLLSFLKAKYQVPLENIRIQDTQILAFLKNPEKVGFDEVLKEYLKEDLIPHEKIKDFKTKSKAEKSELLSMELNALKRLCEYFEKGGLEEDLLTLARDIETPFVKVLMGMEFQGFKIDAPYFKRLEQEFKNELNVLERQILDLIGVDFNLNSPKQLGEVLYDKLGLPKNKSHSTDEKNLLKILDKHPSIPLILEYRELNKLFNTYTTPLLRLKDKDDKIHTTFIQTGTATGRLSSHSPNLQNIPVRSPKGLLIRKGFIASSKEYCLLGVDYSQIELRLLAHFSQDKDLMEAFLKGRDIHLETSKALFGEDLAKEKRSIAKSINFGLVYGMGSKKLSETLSIPLSEAKSYIEAYFKRFPSIKDYLNGMREEILKTSKAFTLLGRYRVFDFTGVNDYVKGNYLREGVNAIFQGSASDLLKLGMLKVSERFKNNPSVRLLLQVHDELIFEIEEKNAPELQQEIQRILNDEVYPLRVPLETSAFIAKRWNELKG |
Consensus
[pKd Mean = 3.82] | - | 1361
(s=678) | 17
(s=1) | MEQPVIKEGTLALIDTFAYLFRSYYMSAKNKPLTNDKGFPTGLLTGLVGMVKKFYKDRKNMPFIVFALESQTKTKRAEKLGEYKQNRKDAPKEMLLQIPIALEWLQKMGFTCVEVGGFEADDVIASLATLSPYKTRIYSKDKDFNQLLSDKIALFDGKTEFLAKDCVEKYGILPSQFTDYQGIVGDSSDNYKGVKGIGSKNAKELLQRLGSLEKIYENLDLAKNLLSPKMYQALIQDKGSAFLSKELATLERGCIKEFDFLSCAFPSENPLLKIKDELKEYGFISTLRDLENSPFIVENVPILNSTPILDNTPALDNAPKKSRMIVLESAEPLSMFLEKLENPNARVFMRLVLDKDKKILALAFLLQDQGYFLPLEEALFSPFSLEFLQNAFSQMLQHACIIGHDLKPLLSFLKAKYQVPLENIRIQDTQILAFLKNPEKVGFDEVLKEYLKEDLIPHEKIKDFKTKSKAEKSELLSMELNALKRLCEYFEKGGLEEDLLTLARDIETPFVKVLMGMEFQGFKIDAPYFKRLEQEFKNELNVLERQILDLIGVDFNLNSPKQLGEVLYDKLGLPKNKSHSTDEKNLLKILDKHPSIPLILEYRELNKLFNTYTTPLLRLKDKDDKIHTTFIQTGTATGRLSSHSPNLQNIPVRSPKGLLIRKGFIASSKEYCLLGVDYSQIELRLLAHFSQDKDLMEAFLKGRDIHLETSKALFGEDLAKEKRSIAKSINFGLVYGMGSKKLSETLSIPLSEAKSYIEAYFKRFPSIKDYLNGMREEILKTSKAFTLLGRYRVFDFTGVNDYVKGNYLREGVNAIFQGSASDLLKLGMLKVSERFKNNPSVRLLLQVHDELIFEIEEKNAPELQQEIQRILNDEVYPLRVPLETSAFIAKRWNELKG |