Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: DXV_A_2(6BKU) / Model_4(6BKU/A) = [8.6]
| Download | 840.20 | 22.55 | MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA |
Complex: 8R4_A_2(5UY6) / Model_1(5UY6/A) = [8.6]
| Download | 853.03 | 21.89 | MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA |
Complex: 6Z2_A_3(5KZ7) / Model_15(5KZ7/A) = [8.0]
| Download | 1040.16 | 24.05 | MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA |
Complex: 8R7_A_2(5UYJ) / Model_2(5UYJ/A) = [7.9]
| Download | 778.63 | 23.48 | MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA |
Complex: 609_A_2(2ZV2) / Model_10(2ZV2/A) = [7.3]
| Download | 827.21 | 24.15 | MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA |
Consensus [pKd Mean = 8.08] | - | 867 (s=89) | 23 (s=0) | MGCSTSTHASPEADEDAPLKRSVYSASRTSDQVVSGRQNSNKDQTNDACTAVSENPSRTRSSSDTEGRAHGRGIGAIHYPNQLGKDECDGGEDEVVVIPPSADKSTRTRFTFPQRTLLNVGSHTQAGDSGERKRNSITASPSSFTAMQRRLSDGSHGHSSFTTMSPAPPDAKETPLQLTQTRALPTAATIPTACLSISPPQRLSIPANSFAGSSASASGAVALPSQEQHQIETPHVNDGGFSIEWDEEDNTPRGRGIPDSTTTESGPCSVTRGMMAPSGSFGIGVGGGWRSKSPKWIDLSRKRSQSTVSLLSLADTPNNPHVLSSGSDFGRDILGGSHVFGGLATGGGSSRPQSGYAMGRDMCVERFDQQRHSNGLAVFCNQPRECALCRNATAAFACEVCDDFFLCENCRFDLEAVCAVHDPTHAILYMQDNHYNSSRTFGGDSIFSLSGDGGVSSLFYNPCFKCKRVIDDVEPVYRCDQCDYIVCQECFIQHEEPGNAMERASSLSAAMAATREEQASCKPLPIESAALVLASGPMPPHEHELKRFQRKSRSNSVHEGAVVTKTRNSGGNKVINDYVVVRQIGHGSYAKVKLVQHVHTQELFALKILRRQKKAAMSGITLGRSRVKSAMAGISEDDLLREIAVMKFIGHPNVVKLKEVIEDVDSQKVYIIMEYCEKGPVHVLGDPALPLEQVRQYGADILRGLLHLHSEFLYHRDIKPANCLVNRDSVVKIADFGTCNSQIRTKLAEGTPAFSCPEQVRGEEVSGEVVDSWAFALTVYEMACGTLPVSTTSFVQHRSLLMSKSPVPIPKIGDEPLCDLLAQMLEKDLSKRLLLPAATRHPFFAECHVDVHGAVPGTAPRSIFAVLATSGGSAAAQPQQQQLPSLAELYDKALESVHRGKNLKDCFHGVRALRRVRRKEVETARHSGTGDQVGGGSAGAEKSSAYVMNSRDVYGGSDGSGSDGEDEEGAGRLWVGGRAGHKEEAAAAAAVEEAVEHHLFTQEPKLELAQVTLTAPATLEKLNRLHQVTAEMRLSHNALVRLAPLRLSTFSMLMDIAVTFNRLEAIPQEVLAAPRLVRLDLSHNRIDSIPGSLVTKALFLERLSLHHNLITSVGTTTITVVEPSPVTFRVPTSATATCMGSNMVAVPDASVVSSSITQTSLPGRGGSSRSKVVSVLAAPCLRHVRLSGNPLERLPDALETTHKLQLVLDAIPALMEQWDTHMQADSKPTTSTAAAATGGQSRLPAVIVWDDSFPVRIPSVEPAVWLAVNNVAIYRVQTLRLCQTRRVVLCQCADPRFPNGLFLSEELEVYFAALSKALQDCREQRQQLAVEAPFSLSAPAEAIPSEALPPIVGKAARNYVESYFFVTDDENEEEGGYHSLVSYLYDSLSANIPVLVVVVSSGTSCAVRTNIVAAISTCLTRLRGGDPEQLDAEQAELIVSTMRSLYA |