| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: GOL_B_5(3AQL) / Model_25(3AQL/B) = [3.2]
| Download | 614.98 | -40.44 | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRDLYEDLQRRDFTMNAIAMDTAYKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |
| Complex: CTP_B_4(4WC1) / Model_26(4WC1/B) = [3.7]
| Download | 1246.48 | -10.00 | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRDLYEDLQRRDFTMNAIAMDTAYKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |
| Complex: CTP_A_3(4WC7) / Model_19(4WC7/A) = [3.8]
| Download | 1442.85 | -15.27 | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRDLYEDLQRRDFTMNAIAMDTAYKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |
| Complex: ATP_A_3(3AQN) / Model_8(3AQN/A) = [4.0]
| Download | 1238.83 | -10.71 | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRDLYEDLQRRDFTMNAIAMDTAYKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |
| Complex: CTP_A_3(4WC1) / Model_13(4WC1/A) = [4.3]
| Download | 1208.11 | -7.86 | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRDLYEDLQRRDFTMNAIAMDTAYKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |
Consensus
[pKd Mean = 3.80] | - | 1150
(s=280) | -16
(s=12) | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRDLYEDLQRRDFTMNAIAMDTAYKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |