| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: FLQ_C_5(2FDC) / Model_22(2FDC/B) = [4.0]
| Download | 1289.03 | 28.36 | LKDKFELVSKYSPQGDQPRAIEQLVAGLKKGLKHQTLLGATGTGKTFTVSNVIQEVNKPTLVMAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVPQSDTYIEKDASINDEIDKLRHSATAALFERRDVIIIASVSCIYGLGSPIEYGEMLVSLRVGMEISRDQLLRKLVDIQYDRNDIDFQRGRFRVRGDVVEIFPASRDEHCMRIEFFGDEIERIREVDALTGEIIGEREHVSIFPASHFVTRPDIMKKAIVNIKAELEDRLKVLRADNKLLEAQRLEQRTNYDLEMMEEMGYCSGIENYSRHLSLRPAGVTPYTLLDYFPDDFQMVIDESHVTMPQIRGMFNGDQARKQMLVDHGFRLPSALDNRPLRLEEFEKHINQIMFISATPGPYELEKNPDVIEQIIRPTGLLDPIVEIRPIQGQIDDLMDEINDRVEKNERVLITTLTKKMSEDLTNYLKEAGVKVQYLHSEVKTLERIEIIRDLRLGVYDVIVGINLLREGIDLPEVSLVAILDADKEGFLRSERSLIQTMGRAARNENGRVIMYADKMTDSMRNSIGETERRRKIQIEYNEKHGITPKTIKKEIRGIIAATSAADEREAVKQHDLSKMSKKERDVFIEGMEHEMKEAAKALDFERAAELRDALLEIKAEG |
| Complex: NACID_D_1(2NMV) / Model_2(2NMV/A) = [7.6]
| Download | - | - | LKDKFELVSKYSPQGDQPRAIEQLVAGLKKGLKHQTLLGATGTGKTFTVSNVIQEVNKPTLVMAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVPQSDTYIEKDASINDEIDKLRHSATAALFERRDVIIIASVSCIYGLGSPIEYGEMLVSLRVGMEISRDQLLRKLVDIQYDRNDIDFQRGRFRVRGDVVEIFPASRDEHCMRIEFFGDEIERIREVDALTGEIIGEREHVSIFPASHFVTRPDIMKKAIVNIKAELEDRLKVLRADNKLLEAQRLEQRTNYDLEMMEEMGYCSGIENYSRHLSLRPAGVTPYTLLDYFPDDFQMVIDESHVTMPQIRGMFNGDQARKQMLVDHGFRLPSALDNRPLRLEEFEKHINQIMFISATPGPYELEKNPDVIEQIIRPTGLLDPIVEIRPIQGQIDDLMDEINDRVEKNERVLITTLTKKMSEDLTNYLKEAGVKVQYLHSEVKTLERIEIIRDLRLGVYDVIVGINLLREGIDLPEVSLVAILDADKEGFLRSERSLIQTMGRAARNENGRVIMYADKMTDSMRNSIGETERRRKIQIEYNEKHGITPKTIKKEIRGIIAATSAADEREAVKQHDLSKMSKKERDVFIEGMEHEMKEAAKALDFERAAELRDALLEIKAEG |
| Complex: NACID_D_1(2D7D) / Model_1(2D7D/A) = [8.8]
| Download | - | - | LKDKFELVSKYSPQGDQPRAIEQLVAGLKKGLKHQTLLGATGTGKTFTVSNVIQEVNKPTLVMAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVPQSDTYIEKDASINDEIDKLRHSATAALFERRDVIIIASVSCIYGLGSPIEYGEMLVSLRVGMEISRDQLLRKLVDIQYDRNDIDFQRGRFRVRGDVVEIFPASRDEHCMRIEFFGDEIERIREVDALTGEIIGEREHVSIFPASHFVTRPDIMKKAIVNIKAELEDRLKVLRADNKLLEAQRLEQRTNYDLEMMEEMGYCSGIENYSRHLSLRPAGVTPYTLLDYFPDDFQMVIDESHVTMPQIRGMFNGDQARKQMLVDHGFRLPSALDNRPLRLEEFEKHINQIMFISATPGPYELEKNPDVIEQIIRPTGLLDPIVEIRPIQGQIDDLMDEINDRVEKNERVLITTLTKKMSEDLTNYLKEAGVKVQYLHSEVKTLERIEIIRDLRLGVYDVIVGINLLREGIDLPEVSLVAILDADKEGFLRSERSLIQTMGRAARNENGRVIMYADKMTDSMRNSIGETERRRKIQIEYNEKHGITPKTIKKEIRGIIAATSAADEREAVKQHDLSKMSKKERDVFIEGMEHEMKEAAKALDFERAAELRDALLEIKAEG |
| Complex: NACID_D_1(2D7D) / Model_43(2D7D/A) = [8.8]
| Download | - | - | LKDKFELVSKYSPQGDQPRAIEQLVAGLKKGLKHQTLLGATGTGKTFTVSNVIQEVNKPTLVMAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVPQSDTYIEKDASINDEIDKLRHSATAALFERRDVIIIASVSCIYGLGSPIEYGEMLVSLRVGMEISRDQLLRKLVDIQYDRNDIDFQRGRFRVRGDVVEIFPASRDEHCMRIEFFGDEIERIREVDALTGEIIGEREHVSIFPASHFVTRPDIMKKAIVNIKAELEDRLKVLRADNKLLEAQRLEQRTNYDLEMMEEMGYCSGIENYSRHLSLRPAGVTPYTLLDYFPDDFQMVIDESHVTMPQIRGMFNGDQARKQMLVDHGFRLPSALDNRPLRLEEFEKHINQIMFISATPGPYELEKNPDVIEQIIRPTGLLDPIVEIRPIQGQIDDLMDEINDRVEKNERVLITTLTKKMSEDLTNYLKEAGVKVQYLHSEVKTLERIEIIRDLRLGVYDVIVGINLLREGIDLPEVSLVAILDADKEGFLRSERSLIQTMGRAARNENGRVIMYADKMTDSMRNSIGETERRRKIQIEYNEKHGITPKTIKKEIRGIIAATSAADEREAVKQHDLSKMSKKERDVFIEGMEHEMKEAAKALDFERAAELRDALLEIKAEG |
| Complex: CHAIN_D_4(3V4R) / Model_3(3V4R/A) = [10.8]
| Download | - | - | LKDKFELVSKYSPQGDQPRAIEQLVAGLKKGLKHQTLLGATGTGKTFTVSNVIQEVNKPTLVMAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVPQSDTYIEKDASINDEIDKLRHSATAALFERRDVIIIASVSCIYGLGSPIEYGEMLVSLRVGMEISRDQLLRKLVDIQYDRNDIDFQRGRFRVRGDVVEIFPASRDEHCMRIEFFGDEIERIREVDALTGEIIGEREHVSIFPASHFVTRPDIMKKAIVNIKAELEDRLKVLRADNKLLEAQRLEQRTNYDLEMMEEMGYCSGIENYSRHLSLRPAGVTPYTLLDYFPDDFQMVIDESHVTMPQIRGMFNGDQARKQMLVDHGFRLPSALDNRPLRLEEFEKHINQIMFISATPGPYELEKNPDVIEQIIRPTGLLDPIVEIRPIQGQIDDLMDEINDRVEKNERVLITTLTKKMSEDLTNYLKEAGVKVQYLHSEVKTLERIEIIRDLRLGVYDVIVGINLLREGIDLPEVSLVAILDADKEGFLRSERSLIQTMGRAARNENGRVIMYADKMTDSMRNSIGETERRRKIQIEYNEKHGITPKTIKKEIRGIIAATSAADEREAVKQHDLSKMSKKERDVFIEGMEHEMKEAAKALDFERAAELRDALLEIKAEG |
Consensus
[pKd Mean = 8.00] | - | 1289
(s=0) | 28
(s=0) | LKDKFELVSKYSPQGDQPRAIEQLVAGLKKGLKHQTLLGATGTGKTFTVSNVIQEVNKPTLVMAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVPQSDTYIEKDASINDEIDKLRHSATAALFERRDVIIIASVSCIYGLGSPIEYGEMLVSLRVGMEISRDQLLRKLVDIQYDRNDIDFQRGRFRVRGDVVEIFPASRDEHCMRIEFFGDEIERIREVDALTGEIIGEREHVSIFPASHFVTRPDIMKKAIVNIKAELEDRLKVLRADNKLLEAQRLEQRTNYDLEMMEEMGYCSGIENYSRHLSLRPAGVTPYTLLDYFPDDFQMVIDESHVTMPQIRGMFNGDQARKQMLVDHGFRLPSALDNRPLRLEEFEKHINQIMFISATPGPYELEKNPDVIEQIIRPTGLLDPIVEIRPIQGQIDDLMDEINDRVEKNERVLITTLTKKMSEDLTNYLKEAGVKVQYLHSEVKTLERIEIIRDLRLGVYDVIVGINLLREGIDLPEVSLVAILDADKEGFLRSERSLIQTMGRAARNENGRVIMYADKMTDSMRNSIGETERRRKIQIEYNEKHGITPKTIKKEIRGIIAATSAADEREAVKQHDLSKMSKKERDVFIEGMEHEMKEAAKALDFERAAELRDALLEIKAEG |