Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: E11_B_14(3MO0) / Model_35(3MO0/B) = [3.1]
| Download | 1286.84 | 11.27 | MRGLPRGRGLMRARGRGRAAPTGGRGRGRGGAHRGRGRPRSLLSLPRAQASWAPQLPAGLTGPPVPCLPSQGEAPAEMGALLLEKEPRGAAERVHSSLGDTPQSEETLPKANPDSLEPAGPSSPASVTVTVGDEGADTPVGAASLIGDEPESLEGDGGRIVLGHATKSFPSSPSKGGACPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAATAGPEPSPATTAAQEGQPKVHRARKTMSKPSNGQPPIPEKRPPEVQHFRMSDDMHLGKVTSDVAKRRKLNSGSLSEDLGSAGGSGDIILEKGEPRPLEEWETVVGDDFSLYYDAYSVDERVDSDSKSEVEALAEQLSEEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELLGCNAAILKRETMRPSSRVALMVLCEAHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGGTPPIGTAAPALPPLAHDAPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPPGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQLGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIDVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNAQCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAVRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRSCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPDLSSLPPINT |
Complex: DXQ_A_8(3K5K) / Model_2(3K5K/A) = [4.2]
| Download | 1235.96 | 16.77 | MRGLPRGRGLMRARGRGRAAPTGGRGRGRGGAHRGRGRPRSLLSLPRAQASWAPQLPAGLTGPPVPCLPSQGEAPAEMGALLLEKEPRGAAERVHSSLGDTPQSEETLPKANPDSLEPAGPSSPASVTVTVGDEGADTPVGAASLIGDEPESLEGDGGRIVLGHATKSFPSSPSKGGACPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAATAGPEPSPATTAAQEGQPKVHRARKTMSKPSNGQPPIPEKRPPEVQHFRMSDDMHLGKVTSDVAKRRKLNSGSLSEDLGSAGGSGDIILEKGEPRPLEEWETVVGDDFSLYYDAYSVDERVDSDSKSEVEALAEQLSEEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELLGCNAAILKRETMRPSSRVALMVLCEAHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGGTPPIGTAAPALPPLAHDAPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPPGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQLGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIDVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNAQCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAVRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRSCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPDLSSLPPINT |
Complex: E11_A_4(3MO0) / Model_7(3MO0/A) = [4.8]
| Download | 1215.69 | 15.57 | MRGLPRGRGLMRARGRGRAAPTGGRGRGRGGAHRGRGRPRSLLSLPRAQASWAPQLPAGLTGPPVPCLPSQGEAPAEMGALLLEKEPRGAAERVHSSLGDTPQSEETLPKANPDSLEPAGPSSPASVTVTVGDEGADTPVGAASLIGDEPESLEGDGGRIVLGHATKSFPSSPSKGGACPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAATAGPEPSPATTAAQEGQPKVHRARKTMSKPSNGQPPIPEKRPPEVQHFRMSDDMHLGKVTSDVAKRRKLNSGSLSEDLGSAGGSGDIILEKGEPRPLEEWETVVGDDFSLYYDAYSVDERVDSDSKSEVEALAEQLSEEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELLGCNAAILKRETMRPSSRVALMVLCEAHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGGTPPIGTAAPALPPLAHDAPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPPGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQLGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIDVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNAQCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAVRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRSCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPDLSSLPPINT |
Complex: Q4A_A_4(3FPD) / Model_14(3FPD/A) = [5.6]
| Download | 966.63 | 13.14 | MRGLPRGRGLMRARGRGRAAPTGGRGRGRGGAHRGRGRPRSLLSLPRAQASWAPQLPAGLTGPPVPCLPSQGEAPAEMGALLLEKEPRGAAERVHSSLGDTPQSEETLPKANPDSLEPAGPSSPASVTVTVGDEGADTPVGAASLIGDEPESLEGDGGRIVLGHATKSFPSSPSKGGACPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAATAGPEPSPATTAAQEGQPKVHRARKTMSKPSNGQPPIPEKRPPEVQHFRMSDDMHLGKVTSDVAKRRKLNSGSLSEDLGSAGGSGDIILEKGEPRPLEEWETVVGDDFSLYYDAYSVDERVDSDSKSEVEALAEQLSEEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELLGCNAAILKRETMRPSSRVALMVLCEAHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGGTPPIGTAAPALPPLAHDAPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPPGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQLGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIDVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNAQCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAVRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRSCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPDLSSLPPINT |
Complex: SAH_A_6(3BO5) / Model_20(3BO5/A) = [6.4]
| Download | 1247.73 | 19.89 | MRGLPRGRGLMRARGRGRAAPTGGRGRGRGGAHRGRGRPRSLLSLPRAQASWAPQLPAGLTGPPVPCLPSQGEAPAEMGALLLEKEPRGAAERVHSSLGDTPQSEETLPKANPDSLEPAGPSSPASVTVTVGDEGADTPVGAASLIGDEPESLEGDGGRIVLGHATKSFPSSPSKGGACPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAATAGPEPSPATTAAQEGQPKVHRARKTMSKPSNGQPPIPEKRPPEVQHFRMSDDMHLGKVTSDVAKRRKLNSGSLSEDLGSAGGSGDIILEKGEPRPLEEWETVVGDDFSLYYDAYSVDERVDSDSKSEVEALAEQLSEEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELLGCNAAILKRETMRPSSRVALMVLCEAHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGGTPPIGTAAPALPPLAHDAPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPPGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQLGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIDVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNAQCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAVRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRSCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPDLSSLPPINT |
Consensus [pKd Mean = 4.82] | - | 1190 (s=114) | 15 (s=2) | MRGLPRGRGLMRARGRGRAAPTGGRGRGRGGAHRGRGRPRSLLSLPRAQASWAPQLPAGLTGPPVPCLPSQGEAPAEMGALLLEKEPRGAAERVHSSLGDTPQSEETLPKANPDSLEPAGPSSPASVTVTVGDEGADTPVGAASLIGDEPESLEGDGGRIVLGHATKSFPSSPSKGGACPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAATAGPEPSPATTAAQEGQPKVHRARKTMSKPSNGQPPIPEKRPPEVQHFRMSDDMHLGKVTSDVAKRRKLNSGSLSEDLGSAGGSGDIILEKGEPRPLEEWETVVGDDFSLYYDAYSVDERVDSDSKSEVEALAEQLSEEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELLGCNAAILKRETMRPSSRVALMVLCEAHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGGTPPIGTAAPALPPLAHDAPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPPGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQLGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIDVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNAQCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAVRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRSCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPDLSSLPPINT |