| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: THR_B_5(1EVK) / Model_38(1EVK/B) = [3.2]
| Download | 3804.97 | 22.06 | MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM |
| Complex: 1B2_A_4(4HWT) / Model_75(4HWT/A) = [4.8]
| Download | 873.71 | 10.90 | MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM |
| Complex: 1B2_A_4(4HWT) / Model_14(4HWT/A) = [4.8]
| Download | 839.94 | 10.90 | MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM |
| Complex: 1B2_B_6(4HWT) / Model_41(4HWT/B) = [5.6]
| Download | 886.32 | 11.76 | MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM |
| Complex: AMP_A_4(1QF6) / Model_70(1QF6/A) = [6.5]
| Download | 752.50 | 29.46 | MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM |
Consensus
[pKd Mean = 4.98] | - | 1431
(s=1187) | 17
(s=7) | MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM |