| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: 1SM_A_7(1T9C) / Model_5(1T9C/A) = [3.4]
| Download | 1317.97 | 46.79 | VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE |
| Complex: 1SM_B_10(1T9C) / Model_24(1T9C/B) = [3.6]
| Download | 1302.39 | 46.73 | VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE |
| Complex: CIE_A_7(1N0H) / Model_2(1N0H/A) = [3.8]
| Download | 1301.26 | 52.00 | VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE |
| Complex: 1TB_B_11(1T9A) / Model_26(1T9A/B) = [3.9]
| Download | 1603.24 | 35.83 | VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE |
| Complex: CIE_B_11(1N0H) / Model_27(1N0H/B) = [3.9]
| Download | 1079.75 | 48.57 | VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE |
Consensus
[pKd Mean = 3.72] | - | 1320
(s=166) | 45
(s=5) | VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE |