Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: NACID_E_5(3KSB) / Model_28(3KSB/B) = [3.1]
| Download | - | - | LSNPEQHIQDLALEEVMGDRFGRYSKYIIQERALPDVRDGLKPVQRRILFAMNVEGNTAEKGFRKSAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNMLIEMHGNNGSVDGDPPAAMRYTEARLSPISAELLRDIEKETVDFIPNFDDTSSEPTVLPARFPNLLVNGSTGISAGYATDIPPHNLTEIIEAVIKRLDNPLCTTDDIMKIVKGPDFPTGGIIQGIDGIRKAYQTGKGRVVVRSKTEIEDIRGGRKQITIHEIPYEVNKANLVKRMDELRIEKKIEGISEVRDETDRTGLRIAVELKKDANAEGVLNYLFKNTDLQVSYNFNMVAINKKRPELMGIIPMLDAYIEHQKEIITKRSEYDIRKARARQHILEGLIKALSILDEVIKLIRGSKDKRDAKLNLQTKYDFSEKQAEAIVSLQLYRLTNTDIHELQSEAKSLAEQISVLEKILGDEAELIAVLKEELAEIKKKYKTARRTEVQAEIAEIKIDTEVLVANEDVIVSVTKEGYVKRTSQRSYAASNGAELAMKEADHAIFIQKMNSLDSLLLFTSKGNFIYRPVHELPDIRWKNLGDHVSHLASDLSAGEEIRSAIAIQAFTEEKRFLFVTKNGMTKQSAITNYKPQRYSKSMMAIKLKGDDELLSVHLIDGTEDIFLATKNGYGLRYSITEIPESGARTAGVKAINLKQDDIVIGGIVLMPNEQKHILLATQRGSLKQMKASEFEPISRAKRGLLMLRELKSNPHRFIGITLADNNDHLFIETNTDQIVEIDVANLRITDRYSNGSFVLDETMEGEPTSIWLAIPEIKDTSDAKEE |
Complex: NACID_H_8(3RAE) / Model_25(3RAE/B) = [3.1]
| Download | - | - | LSNPEQHIQDLALEEVMGDRFGRYSKYIIQERALPDVRDGLKPVQRRILFAMNVEGNTAEKGFRKSAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNMLIEMHGNNGSVDGDPPAAMRYTEARLSPISAELLRDIEKETVDFIPNFDDTSSEPTVLPARFPNLLVNGSTGISAGYATDIPPHNLTEIIEAVIKRLDNPLCTTDDIMKIVKGPDFPTGGIIQGIDGIRKAYQTGKGRVVVRSKTEIEDIRGGRKQITIHEIPYEVNKANLVKRMDELRIEKKIEGISEVRDETDRTGLRIAVELKKDANAEGVLNYLFKNTDLQVSYNFNMVAINKKRPELMGIIPMLDAYIEHQKEIITKRSEYDIRKARARQHILEGLIKALSILDEVIKLIRGSKDKRDAKLNLQTKYDFSEKQAEAIVSLQLYRLTNTDIHELQSEAKSLAEQISVLEKILGDEAELIAVLKEELAEIKKKYKTARRTEVQAEIAEIKIDTEVLVANEDVIVSVTKEGYVKRTSQRSYAASNGAELAMKEADHAIFIQKMNSLDSLLLFTSKGNFIYRPVHELPDIRWKNLGDHVSHLASDLSAGEEIRSAIAIQAFTEEKRFLFVTKNGMTKQSAITNYKPQRYSKSMMAIKLKGDDELLSVHLIDGTEDIFLATKNGYGLRYSITEIPESGARTAGVKAINLKQDDIVIGGIVLMPNEQKHILLATQRGSLKQMKASEFEPISRAKRGLLMLRELKSNPHRFIGITLADNNDHLFIETNTDQIVEIDVANLRITDRYSNGSFVLDETMEGEPTSIWLAIPEIKDTSDAKEE |
Complex: NACID_F_6(3FOF) / Model_3(3FOF/A) = [3.2]
| Download | - | - | LSNPEQHIQDLALEEVMGDRFGRYSKYIIQERALPDVRDGLKPVQRRILFAMNVEGNTAEKGFRKSAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNMLIEMHGNNGSVDGDPPAAMRYTEARLSPISAELLRDIEKETVDFIPNFDDTSSEPTVLPARFPNLLVNGSTGISAGYATDIPPHNLTEIIEAVIKRLDNPLCTTDDIMKIVKGPDFPTGGIIQGIDGIRKAYQTGKGRVVVRSKTEIEDIRGGRKQITIHEIPYEVNKANLVKRMDELRIEKKIEGISEVRDETDRTGLRIAVELKKDANAEGVLNYLFKNTDLQVSYNFNMVAINKKRPELMGIIPMLDAYIEHQKEIITKRSEYDIRKARARQHILEGLIKALSILDEVIKLIRGSKDKRDAKLNLQTKYDFSEKQAEAIVSLQLYRLTNTDIHELQSEAKSLAEQISVLEKILGDEAELIAVLKEELAEIKKKYKTARRTEVQAEIAEIKIDTEVLVANEDVIVSVTKEGYVKRTSQRSYAASNGAELAMKEADHAIFIQKMNSLDSLLLFTSKGNFIYRPVHELPDIRWKNLGDHVSHLASDLSAGEEIRSAIAIQAFTEEKRFLFVTKNGMTKQSAITNYKPQRYSKSMMAIKLKGDDELLSVHLIDGTEDIFLATKNGYGLRYSITEIPESGARTAGVKAINLKQDDIVIGGIVLMPNEQKHILLATQRGSLKQMKASEFEPISRAKRGLLMLRELKSNPHRFIGITLADNNDHLFIETNTDQIVEIDVANLRITDRYSNGSFVLDETMEGEPTSIWLAIPEIKDTSDAKEE |
Complex: CHAIN_F_6(4KPE) / Model_12(4KPE/A) = [3.2]
| Download | - | - | LSNPEQHIQDLALEEVMGDRFGRYSKYIIQERALPDVRDGLKPVQRRILFAMNVEGNTAEKGFRKSAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNMLIEMHGNNGSVDGDPPAAMRYTEARLSPISAELLRDIEKETVDFIPNFDDTSSEPTVLPARFPNLLVNGSTGISAGYATDIPPHNLTEIIEAVIKRLDNPLCTTDDIMKIVKGPDFPTGGIIQGIDGIRKAYQTGKGRVVVRSKTEIEDIRGGRKQITIHEIPYEVNKANLVKRMDELRIEKKIEGISEVRDETDRTGLRIAVELKKDANAEGVLNYLFKNTDLQVSYNFNMVAINKKRPELMGIIPMLDAYIEHQKEIITKRSEYDIRKARARQHILEGLIKALSILDEVIKLIRGSKDKRDAKLNLQTKYDFSEKQAEAIVSLQLYRLTNTDIHELQSEAKSLAEQISVLEKILGDEAELIAVLKEELAEIKKKYKTARRTEVQAEIAEIKIDTEVLVANEDVIVSVTKEGYVKRTSQRSYAASNGAELAMKEADHAIFIQKMNSLDSLLLFTSKGNFIYRPVHELPDIRWKNLGDHVSHLASDLSAGEEIRSAIAIQAFTEEKRFLFVTKNGMTKQSAITNYKPQRYSKSMMAIKLKGDDELLSVHLIDGTEDIFLATKNGYGLRYSITEIPESGARTAGVKAINLKQDDIVIGGIVLMPNEQKHILLATQRGSLKQMKASEFEPISRAKRGLLMLRELKSNPHRFIGITLADNNDHLFIETNTDQIVEIDVANLRITDRYSNGSFVLDETMEGEPTSIWLAIPEIKDTSDAKEE |
Complex: MFX_H_10(3FOF) / Model_3(3FOF/A) = [3.3]
| Download | 498.18 | -20.60 | LSNPEQHIQDLALEEVMGDRFGRYSKYIIQERALPDVRDGLKPVQRRILFAMNVEGNTAEKGFRKSAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNMLIEMHGNNGSVDGDPPAAMRYTEARLSPISAELLRDIEKETVDFIPNFDDTSSEPTVLPARFPNLLVNGSTGISAGYATDIPPHNLTEIIEAVIKRLDNPLCTTDDIMKIVKGPDFPTGGIIQGIDGIRKAYQTGKGRVVVRSKTEIEDIRGGRKQITIHEIPYEVNKANLVKRMDELRIEKKIEGISEVRDETDRTGLRIAVELKKDANAEGVLNYLFKNTDLQVSYNFNMVAINKKRPELMGIIPMLDAYIEHQKEIITKRSEYDIRKARARQHILEGLIKALSILDEVIKLIRGSKDKRDAKLNLQTKYDFSEKQAEAIVSLQLYRLTNTDIHELQSEAKSLAEQISVLEKILGDEAELIAVLKEELAEIKKKYKTARRTEVQAEIAEIKIDTEVLVANEDVIVSVTKEGYVKRTSQRSYAASNGAELAMKEADHAIFIQKMNSLDSLLLFTSKGNFIYRPVHELPDIRWKNLGDHVSHLASDLSAGEEIRSAIAIQAFTEEKRFLFVTKNGMTKQSAITNYKPQRYSKSMMAIKLKGDDELLSVHLIDGTEDIFLATKNGYGLRYSITEIPESGARTAGVKAINLKQDDIVIGGIVLMPNEQKHILLATQRGSLKQMKASEFEPISRAKRGLLMLRELKSNPHRFIGITLADNNDHLFIETNTDQIVEIDVANLRITDRYSNGSFVLDETMEGEPTSIWLAIPEIKDTSDAKEE |
Consensus [pKd Mean = 3.18] | - | 498 (s=0) | -20 (s=0) | LSNPEQHIQDLALEEVMGDRFGRYSKYIIQERALPDVRDGLKPVQRRILFAMNVEGNTAEKGFRKSAKTVGNVIGNYHPHGDSSVYEAMVRMSQDWKVRNMLIEMHGNNGSVDGDPPAAMRYTEARLSPISAELLRDIEKETVDFIPNFDDTSSEPTVLPARFPNLLVNGSTGISAGYATDIPPHNLTEIIEAVIKRLDNPLCTTDDIMKIVKGPDFPTGGIIQGIDGIRKAYQTGKGRVVVRSKTEIEDIRGGRKQITIHEIPYEVNKANLVKRMDELRIEKKIEGISEVRDETDRTGLRIAVELKKDANAEGVLNYLFKNTDLQVSYNFNMVAINKKRPELMGIIPMLDAYIEHQKEIITKRSEYDIRKARARQHILEGLIKALSILDEVIKLIRGSKDKRDAKLNLQTKYDFSEKQAEAIVSLQLYRLTNTDIHELQSEAKSLAEQISVLEKILGDEAELIAVLKEELAEIKKKYKTARRTEVQAEIAEIKIDTEVLVANEDVIVSVTKEGYVKRTSQRSYAASNGAELAMKEADHAIFIQKMNSLDSLLLFTSKGNFIYRPVHELPDIRWKNLGDHVSHLASDLSAGEEIRSAIAIQAFTEEKRFLFVTKNGMTKQSAITNYKPQRYSKSMMAIKLKGDDELLSVHLIDGTEDIFLATKNGYGLRYSITEIPESGARTAGVKAINLKQDDIVIGGIVLMPNEQKHILLATQRGSLKQMKASEFEPISRAKRGLLMLRELKSNPHRFIGITLADNNDHLFIETNTDQIVEIDVANLRITDRYSNGSFVLDETMEGEPTSIWLAIPEIKDTSDAKEE |