Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
Complex: ADP_D_6(4FD2) / Model_23(4FD2/D) = [6.2]
| Download | 1019.33 | 27.59 | MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |
Complex: ADP_B_5(4FD2) / Model_24(4FD2/B) = [6.4]
| Download | 1060.57 | 25.73 | MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |
Complex: ADP_A_2(4LJ5) / Model_4(4LJ5/A) = [6.6]
| Download | 1165.67 | 23.93 | MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |
Complex: ADP_A_4(4FD2) / Model_10(4FD2/A) = [6.7]
| Download | 996.40 | 27.59 | MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |
Complex: ACP_A_2(4LJ9) / Model_6(4LJ9/A) = [6.7]
| Download | 1069.78 | 21.04 | MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |
Consensus [pKd Mean = 6.52] | - | 1062 (s=58) | 25 (s=2) | MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK |