| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: C5P_B_9(5A0V) / Model_24(5A0V/B) = [3.4]
| Download | 803.50 | -0.88 | MTDNNQNNENHENSSENSKDHHEARAGAFERFTNRKKRFRENAQKNAESSNHETLSHHKKEHRPNKKPNNHHKPKHASQKTRNYAKEELDNNKVEGVTEILHVNERGTLGFHKELKKGVEANNKIQVEHLNPHYKMNLNSKASVKITPLGGLGEIGGNMMVIETPKSAIVIDAGMSFPKEGLFGVDILIPDFSYLHQIKDKIAGIIITHAHEDHIGATPYLFKELQFPLYGTPLSLGLIGSKFDEHGLKKYRSYFKIVEKRCPISVGEFIIEWIHITHSIIDSSALAIQTKAGTIIHTGDFKIDHTPVDNLPTDLYRLAHYGEKGVMLLLSDSTNSHKSGTTPSESTIAPAFDTLFKEAQGRVIMSTFSSNIHRVHQAIQYGIKYNRKIAVIGRSMEKNLDIARELGYIHLPYQSFIEANEVAKYPDNEVLIVTTGSQGETMSALYRMATDEHRHISIKPNDLVIISAKAIPGNEASVSAVLNFLIKKEAKVAYQEFDNIHVSGHAAQEEQKLMLRLIKPKFFLPVHGEYNHVARHKQTAIACGVPEKNIYLMEDGDQVEVGPAFIKKVGTIKSGKSYVDNQSNLSIDTSIVQQREEVASAGVFAATIFVNKNKQALLESSQFSSLGLVGFKDEKHLIKEIQGGLEVLLKSSNAEILNNPKKLEDHTRNFIRKALFKKFRKYPAIICHAHSF |
| Complex: U5P_A_5(3BK2) / Model_30(3BK2/A) = [4.3]
| Download | 681.99 | 4.33 | MTDNNQNNENHENSSENSKDHHEARAGAFERFTNRKKRFRENAQKNAESSNHETLSHHKKEHRPNKKPNNHHKPKHASQKTRNYAKEELDNNKVEGVTEILHVNERGTLGFHKELKKGVEANNKIQVEHLNPHYKMNLNSKASVKITPLGGLGEIGGNMMVIETPKSAIVIDAGMSFPKEGLFGVDILIPDFSYLHQIKDKIAGIIITHAHEDHIGATPYLFKELQFPLYGTPLSLGLIGSKFDEHGLKKYRSYFKIVEKRCPISVGEFIIEWIHITHSIIDSSALAIQTKAGTIIHTGDFKIDHTPVDNLPTDLYRLAHYGEKGVMLLLSDSTNSHKSGTTPSESTIAPAFDTLFKEAQGRVIMSTFSSNIHRVHQAIQYGIKYNRKIAVIGRSMEKNLDIARELGYIHLPYQSFIEANEVAKYPDNEVLIVTTGSQGETMSALYRMATDEHRHISIKPNDLVIISAKAIPGNEASVSAVLNFLIKKEAKVAYQEFDNIHVSGHAAQEEQKLMLRLIKPKFFLPVHGEYNHVARHKQTAIACGVPEKNIYLMEDGDQVEVGPAFIKKVGTIKSGKSYVDNQSNLSIDTSIVQQREEVASAGVFAATIFVNKNKQALLESSQFSSLGLVGFKDEKHLIKEIQGGLEVLLKSSNAEILNNPKKLEDHTRNFIRKALFKKFRKYPAIICHAHSF |
| Complex: NACID_F_4(5A0V) / Model_24(5A0V/B) = [10.4]
| Download | - | - | MTDNNQNNENHENSSENSKDHHEARAGAFERFTNRKKRFRENAQKNAESSNHETLSHHKKEHRPNKKPNNHHKPKHASQKTRNYAKEELDNNKVEGVTEILHVNERGTLGFHKELKKGVEANNKIQVEHLNPHYKMNLNSKASVKITPLGGLGEIGGNMMVIETPKSAIVIDAGMSFPKEGLFGVDILIPDFSYLHQIKDKIAGIIITHAHEDHIGATPYLFKELQFPLYGTPLSLGLIGSKFDEHGLKKYRSYFKIVEKRCPISVGEFIIEWIHITHSIIDSSALAIQTKAGTIIHTGDFKIDHTPVDNLPTDLYRLAHYGEKGVMLLLSDSTNSHKSGTTPSESTIAPAFDTLFKEAQGRVIMSTFSSNIHRVHQAIQYGIKYNRKIAVIGRSMEKNLDIARELGYIHLPYQSFIEANEVAKYPDNEVLIVTTGSQGETMSALYRMATDEHRHISIKPNDLVIISAKAIPGNEASVSAVLNFLIKKEAKVAYQEFDNIHVSGHAAQEEQKLMLRLIKPKFFLPVHGEYNHVARHKQTAIACGVPEKNIYLMEDGDQVEVGPAFIKKVGTIKSGKSYVDNQSNLSIDTSIVQQREEVASAGVFAATIFVNKNKQALLESSQFSSLGLVGFKDEKHLIKEIQGGLEVLLKSSNAEILNNPKKLEDHTRNFIRKALFKKFRKYPAIICHAHSF |
| Complex: NACID_E_3(5A0V) / Model_3(5A0V/A) = [10.6]
| Download | - | - | MTDNNQNNENHENSSENSKDHHEARAGAFERFTNRKKRFRENAQKNAESSNHETLSHHKKEHRPNKKPNNHHKPKHASQKTRNYAKEELDNNKVEGVTEILHVNERGTLGFHKELKKGVEANNKIQVEHLNPHYKMNLNSKASVKITPLGGLGEIGGNMMVIETPKSAIVIDAGMSFPKEGLFGVDILIPDFSYLHQIKDKIAGIIITHAHEDHIGATPYLFKELQFPLYGTPLSLGLIGSKFDEHGLKKYRSYFKIVEKRCPISVGEFIIEWIHITHSIIDSSALAIQTKAGTIIHTGDFKIDHTPVDNLPTDLYRLAHYGEKGVMLLLSDSTNSHKSGTTPSESTIAPAFDTLFKEAQGRVIMSTFSSNIHRVHQAIQYGIKYNRKIAVIGRSMEKNLDIARELGYIHLPYQSFIEANEVAKYPDNEVLIVTTGSQGETMSALYRMATDEHRHISIKPNDLVIISAKAIPGNEASVSAVLNFLIKKEAKVAYQEFDNIHVSGHAAQEEQKLMLRLIKPKFFLPVHGEYNHVARHKQTAIACGVPEKNIYLMEDGDQVEVGPAFIKKVGTIKSGKSYVDNQSNLSIDTSIVQQREEVASAGVFAATIFVNKNKQALLESSQFSSLGLVGFKDEKHLIKEIQGGLEVLLKSSNAEILNNPKKLEDHTRNFIRKALFKKFRKYPAIICHAHSF |
| Complex: NACID_E_3(5A0T) / Model_2(5A0T/A) = [11.3]
| Download | - | - | MTDNNQNNENHENSSENSKDHHEARAGAFERFTNRKKRFRENAQKNAESSNHETLSHHKKEHRPNKKPNNHHKPKHASQKTRNYAKEELDNNKVEGVTEILHVNERGTLGFHKELKKGVEANNKIQVEHLNPHYKMNLNSKASVKITPLGGLGEIGGNMMVIETPKSAIVIDAGMSFPKEGLFGVDILIPDFSYLHQIKDKIAGIIITHAHEDHIGATPYLFKELQFPLYGTPLSLGLIGSKFDEHGLKKYRSYFKIVEKRCPISVGEFIIEWIHITHSIIDSSALAIQTKAGTIIHTGDFKIDHTPVDNLPTDLYRLAHYGEKGVMLLLSDSTNSHKSGTTPSESTIAPAFDTLFKEAQGRVIMSTFSSNIHRVHQAIQYGIKYNRKIAVIGRSMEKNLDIARELGYIHLPYQSFIEANEVAKYPDNEVLIVTTGSQGETMSALYRMATDEHRHISIKPNDLVIISAKAIPGNEASVSAVLNFLIKKEAKVAYQEFDNIHVSGHAAQEEQKLMLRLIKPKFFLPVHGEYNHVARHKQTAIACGVPEKNIYLMEDGDQVEVGPAFIKKVGTIKSGKSYVDNQSNLSIDTSIVQQREEVASAGVFAATIFVNKNKQALLESSQFSSLGLVGFKDEKHLIKEIQGGLEVLLKSSNAEILNNPKKLEDHTRNFIRKALFKKFRKYPAIICHAHSF |
Consensus
[pKd Mean = 8.00] | - | 742
(s=60) | 1
(s=2) | MTDNNQNNENHENSSENSKDHHEARAGAFERFTNRKKRFRENAQKNAESSNHETLSHHKKEHRPNKKPNNHHKPKHASQKTRNYAKEELDNNKVEGVTEILHVNERGTLGFHKELKKGVEANNKIQVEHLNPHYKMNLNSKASVKITPLGGLGEIGGNMMVIETPKSAIVIDAGMSFPKEGLFGVDILIPDFSYLHQIKDKIAGIIITHAHEDHIGATPYLFKELQFPLYGTPLSLGLIGSKFDEHGLKKYRSYFKIVEKRCPISVGEFIIEWIHITHSIIDSSALAIQTKAGTIIHTGDFKIDHTPVDNLPTDLYRLAHYGEKGVMLLLSDSTNSHKSGTTPSESTIAPAFDTLFKEAQGRVIMSTFSSNIHRVHQAIQYGIKYNRKIAVIGRSMEKNLDIARELGYIHLPYQSFIEANEVAKYPDNEVLIVTTGSQGETMSALYRMATDEHRHISIKPNDLVIISAKAIPGNEASVSAVLNFLIKKEAKVAYQEFDNIHVSGHAAQEEQKLMLRLIKPKFFLPVHGEYNHVARHKQTAIACGVPEKNIYLMEDGDQVEVGPAFIKKVGTIKSGKSYVDNQSNLSIDTSIVQQREEVASAGVFAATIFVNKNKQALLESSQFSSLGLVGFKDEKHLIKEIQGGLEVLLKSSNAEILNNPKKLEDHTRNFIRKALFKKFRKYPAIICHAHSF |