Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: J60_A_3(2XIK) / Model_1(2XIK/A) = [7.1]
| Download | 1252.37 | 16.04 | MDPAGRRLSGEQQQQQQPADRAKADADRGTVDMLPPLRTEASPFEQASAITNRSSAASAPLSVAVKVIPTLAAAMSSLRAGDDNDGGGENEGEEEPFLTNGSIALAEFTSLLKPAENNSILKEHIIHLLRDVDAEETLMRIARALEAQGTNETPVNVSATTCTGSSRDVASYTNASQSTVASMSTMQRRRSSAVSRRDATSLETLAGLSFLHSRRGATSPSAQESPSSAQPSEDVAPYNRSTRGLVGPLDTSFNSRSSLGTREEEQRQSKQQDDPLSAFMAASASQLSDATPTLRESPGLPTGSQCRGRRVAVSAAPCMAPPMIGEDSPATALPPLRVVPKTSAEEQQLRRLLRRCHSFSSLEADTLESVLKAMDKEVHAAGAAILEQGQATTEKLYLVGEGTCEAIKNGKSLGPLQPGGTFGELELMYKQAMCAATVRCVTRCVLYTLDEASYHRAVMTSALQKRRKFEKLTMSVPFLRCLPDFERMKIAEALETRVYQRGKTIIRFGSPGNYMHFIIEGEVKVVGRNSGRRVEVVRLRDGDVVGELEFLFNHLTVADVVATSREVRTACISREHFELIIGPIQDRLKEFVATSSTYEKYYVAEVADESVRTELNRIESSRKHRRVASRDQRTAIGGIDPHGEVLLSAPLPLLHGKCDTAGKAGGVSGVVANSDSAAGNGANAQGQRRAAARGSAELPKAMLRFPFAPITGKDVAVLALREDGLIMYWNSVLERLTSYSAGEAVGQNIYSFLLSEREQQCMYKAVNAARNYAGEAEAFLKRPSTKSIQFTLARSDGLTKTTVRLTIVPPVVSAGGNAAEVVLGFGEEVKEGPQKMLEQPQWLSGQIRAILADGTQTFEERLECIAETLNNFESTYRAMTVSTERLRVVNIRQMMGHILMDFGSECVSRGISVRQRFEGLPSERAYLDANLLPECLRYAMKLCLKYSDPGGSIITIMITVTEKNGLEFLVINFNLTGDGMPKAIAQFFDSPLKKHGDSVTTMSVDDDSGDGSGDDSDNDAEASMALRSTLQPRLRRKLRRVQRAVEDQGGTLRMLRNPQDSNIAFLIPFMPASEQDAENASIEESLSTLADSAGAGQLASLAGMSSGVGPPTSVAAAAAAFSVSLVNTPAGESSGLSNMSVAGTVATVSGQPNFSYTTCLAEDTPTHRIMLSSFLWERHHAVLTAFTFEDIVGLVGVADILIIDLQQSAITFLHERDPITRLREMLRHMAVIITSTNFDLVSSDTYAAAGFITLKKPCTPVQAMKAIRRAEEKSAVVKLERLRIEQTRETLARNSRGAWRHGALLGKGSSGEVYEAYDVLTGGKMAVKEMRLGNNDAKIEQFVQEISTMCNLQHPNIIHYFYCEESKEQKVIRVFMEFAGGGTLQSLLKTKGRLEYAELRALLRDVVEGLAYIHSQHYVHGDIKTANVLLSNDGKGKIGDFGTARTVNEGELLYVMQGSPLYMSPECMSAGEEDEDGNKIGYSFPSDIWSLGCVAMEMATNKPPFAHIKTIKGPAGLTTFITSLTDVPDLSPLFKCHPSIVEFVSACLNPDPSQRATAQDLLQMSLFSDSTHSDRNSAVMALKRAQLLHVLNKFVAFQEPEEAEKLEKRRNRLKVSRLASDFFSSRSSSSDNASEPMSTVFLNAAPAAEVEEATREKRRPGAAVTTAAAATAAVAAGNEDESDKDVTRRSGTVALAAGGASESPDGARPAGASAGAPLVNTVTSTDGSLNQAASTFTRYLRKWDFSTSSSSSSSQLSANSKAMTAAGGEGAHRDPVTGVAGGNDEAEPDARNPQTEGAYDLSPTPKKRSKTRSRPRATLTPPMRKPSHQRCCPDSTTTTTNSAEKDFFATSSDNSSSGRALNEADARSEAPAHQGGTARLTGTATTARNGPRPTGSEAVGYTPSFPGRRRNVRLDEAGNIVPFDRLSSMMSVAALLNNKGEQHGDDASAEGSPGVAAAAATEATAASRAPFPALGDANDHVLSPSSAAGLANASFTQPPGNYSFFGFNRNISFMGTNMDEVLNSAANDFLSNLAANWHTSNAACVETASSAGSMVQLPSRTFLRAEGSGSGRSHATLSSNREGECRTDRVVGVASPLAVTGQSEDRGDVPKTPSRRRGGAISRSPSARSPLEARGPGEPASIEGGNSGVQHGGTTLPLPQLPPPKPLSTGAAPTAASRSTHPVLSQLGSASYTSDDGTTSMTPRGDSVPLVGAAASSHRQRRARPPITNQSFFVVEDGSSAPLFSPHTGVTKSTGSMAGGPVSASRVSLATWSSVASADGSVTGGVAGETSSSTLLQQNYANVAVVAPAPVFPTFSTSSARAVWQQRRRHVAGGGRGGVGGGNMSNIHLTAPPSNEGSVYLMVADEQQGDGQRWRAAGASVSREGNDGDDDDLTSAAFGSMRSGFSRRSSAQSTSNLTAETLSATHEPVSERRPARSGDAAASASEGRRGAEVGDALPFSNLASEADSMVFTYLQRIDASLQDVLSQLQVRRRQCRRKSGGSITGVQDGFDHAPSSTPITTVQATPPQSATQLTTLQSSLSSALPSPASANSTSEVATTVTVSPQHHRSTGVSTSPAKLPRPLSSCTTPVTISQSRQGKPNPLSMRASPPLSKQCSNPRWPTEDEAEAEGDPVNHDATVWFDTPLSPSSSGHRASSGCDDVNVEVLLRKMLWRVSLLLDEVSSFSPRGPATASVARPP |
Complex: 3JA_A_2(4W8D) / Model_5(4W8D/A) = [5.5]
| Download | 733.49 | 22.14 | MDPAGRRLSGEQQQQQQPADRAKADADRGTVDMLPPLRTEASPFEQASAITNRSSAASAPLSVAVKVIPTLAAAMSSLRAGDDNDGGGENEGEEEPFLTNGSIALAEFTSLLKPAENNSILKEHIIHLLRDVDAEETLMRIARALEAQGTNETPVNVSATTCTGSSRDVASYTNASQSTVASMSTMQRRRSSAVSRRDATSLETLAGLSFLHSRRGATSPSAQESPSSAQPSEDVAPYNRSTRGLVGPLDTSFNSRSSLGTREEEQRQSKQQDDPLSAFMAASASQLSDATPTLRESPGLPTGSQCRGRRVAVSAAPCMAPPMIGEDSPATALPPLRVVPKTSAEEQQLRRLLRRCHSFSSLEADTLESVLKAMDKEVHAAGAAILEQGQATTEKLYLVGEGTCEAIKNGKSLGPLQPGGTFGELELMYKQAMCAATVRCVTRCVLYTLDEASYHRAVMTSALQKRRKFEKLTMSVPFLRCLPDFERMKIAEALETRVYQRGKTIIRFGSPGNYMHFIIEGEVKVVGRNSGRRVEVVRLRDGDVVGELEFLFNHLTVADVVATSREVRTACISREHFELIIGPIQDRLKEFVATSSTYEKYYVAEVADESVRTELNRIESSRKHRRVASRDQRTAIGGIDPHGEVLLSAPLPLLHGKCDTAGKAGGVSGVVANSDSAAGNGANAQGQRRAAARGSAELPKAMLRFPFAPITGKDVAVLALREDGLIMYWNSVLERLTSYSAGEAVGQNIYSFLLSEREQQCMYKAVNAARNYAGEAEAFLKRPSTKSIQFTLARSDGLTKTTVRLTIVPPVVSAGGNAAEVVLGFGEEVKEGPQKMLEQPQWLSGQIRAILADGTQTFEERLECIAETLNNFESTYRAMTVSTERLRVVNIRQMMGHILMDFGSECVSRGISVRQRFEGLPSERAYLDANLLPECLRYAMKLCLKYSDPGGSIITIMITVTEKNGLEFLVINFNLTGDGMPKAIAQFFDSPLKKHGDSVTTMSVDDDSGDGSGDDSDNDAEASMALRSTLQPRLRRKLRRVQRAVEDQGGTLRMLRNPQDSNIAFLIPFMPASEQDAENASIEESLSTLADSAGAGQLASLAGMSSGVGPPTSVAAAAAAFSVSLVNTPAGESSGLSNMSVAGTVATVSGQPNFSYTTCLAEDTPTHRIMLSSFLWERHHAVLTAFTFEDIVGLVGVADILIIDLQQSAITFLHERDPITRLREMLRHMAVIITSTNFDLVSSDTYAAAGFITLKKPCTPVQAMKAIRRAEEKSAVVKLERLRIEQTRETLARNSRGAWRHGALLGKGSSGEVYEAYDVLTGGKMAVKEMRLGNNDAKIEQFVQEISTMCNLQHPNIIHYFYCEESKEQKVIRVFMEFAGGGTLQSLLKTKGRLEYAELRALLRDVVEGLAYIHSQHYVHGDIKTANVLLSNDGKGKIGDFGTARTVNEGELLYVMQGSPLYMSPECMSAGEEDEDGNKIGYSFPSDIWSLGCVAMEMATNKPPFAHIKTIKGPAGLTTFITSLTDVPDLSPLFKCHPSIVEFVSACLNPDPSQRATAQDLLQMSLFSDSTHSDRNSAVMALKRAQLLHVLNKFVAFQEPEEAEKLEKRRNRLKVSRLASDFFSSRSSSSDNASEPMSTVFLNAAPAAEVEEATREKRRPGAAVTTAAAATAAVAAGNEDESDKDVTRRSGTVALAAGGASESPDGARPAGASAGAPLVNTVTSTDGSLNQAASTFTRYLRKWDFSTSSSSSSSQLSANSKAMTAAGGEGAHRDPVTGVAGGNDEAEPDARNPQTEGAYDLSPTPKKRSKTRSRPRATLTPPMRKPSHQRCCPDSTTTTTNSAEKDFFATSSDNSSSGRALNEADARSEAPAHQGGTARLTGTATTARNGPRPTGSEAVGYTPSFPGRRRNVRLDEAGNIVPFDRLSSMMSVAALLNNKGEQHGDDASAEGSPGVAAAAATEATAASRAPFPALGDANDHVLSPSSAAGLANASFTQPPGNYSFFGFNRNISFMGTNMDEVLNSAANDFLSNLAANWHTSNAACVETASSAGSMVQLPSRTFLRAEGSGSGRSHATLSSNREGECRTDRVVGVASPLAVTGQSEDRGDVPKTPSRRRGGAISRSPSARSPLEARGPGEPASIEGGNSGVQHGGTTLPLPQLPPPKPLSTGAAPTAASRSTHPVLSQLGSASYTSDDGTTSMTPRGDSVPLVGAAASSHRQRRARPPITNQSFFVVEDGSSAPLFSPHTGVTKSTGSMAGGPVSASRVSLATWSSVASADGSVTGGVAGETSSSTLLQQNYANVAVVAPAPVFPTFSTSSARAVWQQRRRHVAGGGRGGVGGGNMSNIHLTAPPSNEGSVYLMVADEQQGDGQRWRAAGASVSREGNDGDDDDLTSAAFGSMRSGFSRRSSAQSTSNLTAETLSATHEPVSERRPARSGDAAASASEGRRGAEVGDALPFSNLASEADSMVFTYLQRIDASLQDVLSQLQVRRRQCRRKSGGSITGVQDGFDHAPSSTPITTVQATPPQSATQLTTLQSSLSSALPSPASANSTSEVATTVTVSPQHHRSTGVSTSPAKLPRPLSSCTTPVTISQSRQGKPNPLSMRASPPLSKQCSNPRWPTEDEAEAEGDPVNHDATVWFDTPLSPSSSGHRASSGCDDVNVEVLLRKMLWRVSLLLDEVSSFSPRGPATASVARPP |
Consensus [pKd Mean = 6.30] | - | 992 (s=259) | 19 (s=3) | MDPAGRRLSGEQQQQQQPADRAKADADRGTVDMLPPLRTEASPFEQASAITNRSSAASAPLSVAVKVIPTLAAAMSSLRAGDDNDGGGENEGEEEPFLTNGSIALAEFTSLLKPAENNSILKEHIIHLLRDVDAEETLMRIARALEAQGTNETPVNVSATTCTGSSRDVASYTNASQSTVASMSTMQRRRSSAVSRRDATSLETLAGLSFLHSRRGATSPSAQESPSSAQPSEDVAPYNRSTRGLVGPLDTSFNSRSSLGTREEEQRQSKQQDDPLSAFMAASASQLSDATPTLRESPGLPTGSQCRGRRVAVSAAPCMAPPMIGEDSPATALPPLRVVPKTSAEEQQLRRLLRRCHSFSSLEADTLESVLKAMDKEVHAAGAAILEQGQATTEKLYLVGEGTCEAIKNGKSLGPLQPGGTFGELELMYKQAMCAATVRCVTRCVLYTLDEASYHRAVMTSALQKRRKFEKLTMSVPFLRCLPDFERMKIAEALETRVYQRGKTIIRFGSPGNYMHFIIEGEVKVVGRNSGRRVEVVRLRDGDVVGELEFLFNHLTVADVVATSREVRTACISREHFELIIGPIQDRLKEFVATSSTYEKYYVAEVADESVRTELNRIESSRKHRRVASRDQRTAIGGIDPHGEVLLSAPLPLLHGKCDTAGKAGGVSGVVANSDSAAGNGANAQGQRRAAARGSAELPKAMLRFPFAPITGKDVAVLALREDGLIMYWNSVLERLTSYSAGEAVGQNIYSFLLSEREQQCMYKAVNAARNYAGEAEAFLKRPSTKSIQFTLARSDGLTKTTVRLTIVPPVVSAGGNAAEVVLGFGEEVKEGPQKMLEQPQWLSGQIRAILADGTQTFEERLECIAETLNNFESTYRAMTVSTERLRVVNIRQMMGHILMDFGSECVSRGISVRQRFEGLPSERAYLDANLLPECLRYAMKLCLKYSDPGGSIITIMITVTEKNGLEFLVINFNLTGDGMPKAIAQFFDSPLKKHGDSVTTMSVDDDSGDGSGDDSDNDAEASMALRSTLQPRLRRKLRRVQRAVEDQGGTLRMLRNPQDSNIAFLIPFMPASEQDAENASIEESLSTLADSAGAGQLASLAGMSSGVGPPTSVAAAAAAFSVSLVNTPAGESSGLSNMSVAGTVATVSGQPNFSYTTCLAEDTPTHRIMLSSFLWERHHAVLTAFTFEDIVGLVGVADILIIDLQQSAITFLHERDPITRLREMLRHMAVIITSTNFDLVSSDTYAAAGFITLKKPCTPVQAMKAIRRAEEKSAVVKLERLRIEQTRETLARNSRGAWRHGALLGKGSSGEVYEAYDVLTGGKMAVKEMRLGNNDAKIEQFVQEISTMCNLQHPNIIHYFYCEESKEQKVIRVFMEFAGGGTLQSLLKTKGRLEYAELRALLRDVVEGLAYIHSQHYVHGDIKTANVLLSNDGKGKIGDFGTARTVNEGELLYVMQGSPLYMSPECMSAGEEDEDGNKIGYSFPSDIWSLGCVAMEMATNKPPFAHIKTIKGPAGLTTFITSLTDVPDLSPLFKCHPSIVEFVSACLNPDPSQRATAQDLLQMSLFSDSTHSDRNSAVMALKRAQLLHVLNKFVAFQEPEEAEKLEKRRNRLKVSRLASDFFSSRSSSSDNASEPMSTVFLNAAPAAEVEEATREKRRPGAAVTTAAAATAAVAAGNEDESDKDVTRRSGTVALAAGGASESPDGARPAGASAGAPLVNTVTSTDGSLNQAASTFTRYLRKWDFSTSSSSSSSQLSANSKAMTAAGGEGAHRDPVTGVAGGNDEAEPDARNPQTEGAYDLSPTPKKRSKTRSRPRATLTPPMRKPSHQRCCPDSTTTTTNSAEKDFFATSSDNSSSGRALNEADARSEAPAHQGGTARLTGTATTARNGPRPTGSEAVGYTPSFPGRRRNVRLDEAGNIVPFDRLSSMMSVAALLNNKGEQHGDDASAEGSPGVAAAAATEATAASRAPFPALGDANDHVLSPSSAAGLANASFTQPPGNYSFFGFNRNISFMGTNMDEVLNSAANDFLSNLAANWHTSNAACVETASSAGSMVQLPSRTFLRAEGSGSGRSHATLSSNREGECRTDRVVGVASPLAVTGQSEDRGDVPKTPSRRRGGAISRSPSARSPLEARGPGEPASIEGGNSGVQHGGTTLPLPQLPPPKPLSTGAAPTAASRSTHPVLSQLGSASYTSDDGTTSMTPRGDSVPLVGAAASSHRQRRARPPITNQSFFVVEDGSSAPLFSPHTGVTKSTGSMAGGPVSASRVSLATWSSVASADGSVTGGVAGETSSSTLLQQNYANVAVVAPAPVFPTFSTSSARAVWQQRRRHVAGGGRGGVGGGNMSNIHLTAPPSNEGSVYLMVADEQQGDGQRWRAAGASVSREGNDGDDDDLTSAAFGSMRSGFSRRSSAQSTSNLTAETLSATHEPVSERRPARSGDAAASASEGRRGAEVGDALPFSNLASEADSMVFTYLQRIDASLQDVLSQLQVRRRQCRRKSGGSITGVQDGFDHAPSSTPITTVQATPPQSATQLTTLQSSLSSALPSPASANSTSEVATTVTVSPQHHRSTGVSTSPAKLPRPLSSCTTPVTISQSRQGKPNPLSMRASPPLSKQCSNPRWPTEDEAEAEGDPVNHDATVWFDTPLSPSSSGHRASSGCDDVNVEVLLRKMLWRVSLLLDEVSSFSPRGPATASVARPP |