| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: P5A_A_24(2J3L) / Model_44(2J3L/A) = [7.5]
| Download | 806.94 | 19.32 | MITRMSELFLRTLRDDPADAEVASHKLLIRAGYIRPVAPGLYSWLPLGLRVLRNIERVIRDEMNAIGGQEILFPALLPRAPYETTNRWTQYGDSVFRLKDRRGNDYLLGPTHEELFTLTVKGEYSSYKDFPLTLYQIQTKYRDEARPRAGILRAREFVMKDSYSFDIDAAGLKAAYHAHREAYQRIFDRLQVRYVIVSAVSGAMGGSASEEFLAESPSGEDAFVRCLESGYAANVEAVVTARPDTLPIDGLPEAVVHDTGDTPTIASLVAWANEADLGRTVTAADTLKNVLIKVRQPGGDTELLAIGVPGDREVDDKRLGAALEPADYALLDDDDFAKHPFLVKGYIGPKALRENNVRYLVDPRIVDGTSWITGADQPGRHVVGLVAGRDFTADGTIEAAEVREGDPSPDGAGPLVMARGIEIGHIFQLGSKYTDAFTADVLGEDGKPVRLTMGSYGIGVSRLVAVVAEQHHDELGLRWPSTVAPFDVHLVIANKDAQARAGATALAADLDRLGVEVLLDDRQASPGVKFKDAELLGMPWIVVVGRGWADGVVELRDRFSGQTRELVAGASLATDIAAAVTG |
| Complex: ATP_A_3(2J3M) / Model_2(2J3M/A) = [8.1]
| Download | 906.07 | 0.10 | MITRMSELFLRTLRDDPADAEVASHKLLIRAGYIRPVAPGLYSWLPLGLRVLRNIERVIRDEMNAIGGQEILFPALLPRAPYETTNRWTQYGDSVFRLKDRRGNDYLLGPTHEELFTLTVKGEYSSYKDFPLTLYQIQTKYRDEARPRAGILRAREFVMKDSYSFDIDAAGLKAAYHAHREAYQRIFDRLQVRYVIVSAVSGAMGGSASEEFLAESPSGEDAFVRCLESGYAANVEAVVTARPDTLPIDGLPEAVVHDTGDTPTIASLVAWANEADLGRTVTAADTLKNVLIKVRQPGGDTELLAIGVPGDREVDDKRLGAALEPADYALLDDDDFAKHPFLVKGYIGPKALRENNVRYLVDPRIVDGTSWITGADQPGRHVVGLVAGRDFTADGTIEAAEVREGDPSPDGAGPLVMARGIEIGHIFQLGSKYTDAFTADVLGEDGKPVRLTMGSYGIGVSRLVAVVAEQHHDELGLRWPSTVAPFDVHLVIANKDAQARAGATALAADLDRLGVEVLLDDRQASPGVKFKDAELLGMPWIVVVGRGWADGVVELRDRFSGQTRELVAGASLATDIAAAVTG |
| Complex: ATP_B_7(2J3M) / Model_21(2J3M/B) = [8.9]
| Download | 1218.77 | -2.90 | MITRMSELFLRTLRDDPADAEVASHKLLIRAGYIRPVAPGLYSWLPLGLRVLRNIERVIRDEMNAIGGQEILFPALLPRAPYETTNRWTQYGDSVFRLKDRRGNDYLLGPTHEELFTLTVKGEYSSYKDFPLTLYQIQTKYRDEARPRAGILRAREFVMKDSYSFDIDAAGLKAAYHAHREAYQRIFDRLQVRYVIVSAVSGAMGGSASEEFLAESPSGEDAFVRCLESGYAANVEAVVTARPDTLPIDGLPEAVVHDTGDTPTIASLVAWANEADLGRTVTAADTLKNVLIKVRQPGGDTELLAIGVPGDREVDDKRLGAALEPADYALLDDDDFAKHPFLVKGYIGPKALRENNVRYLVDPRIVDGTSWITGADQPGRHVVGLVAGRDFTADGTIEAAEVREGDPSPDGAGPLVMARGIEIGHIFQLGSKYTDAFTADVLGEDGKPVRLTMGSYGIGVSRLVAVVAEQHHDELGLRWPSTVAPFDVHLVIANKDAQARAGATALAADLDRLGVEVLLDDRQASPGVKFKDAELLGMPWIVVVGRGWADGVVELRDRFSGQTRELVAGASLATDIAAAVTG |
| Complex: P5A_B_25(2J3L) / Model_22(2J3L/B) = [9.1]
| Download | 550.44 | 11.59 | MITRMSELFLRTLRDDPADAEVASHKLLIRAGYIRPVAPGLYSWLPLGLRVLRNIERVIRDEMNAIGGQEILFPALLPRAPYETTNRWTQYGDSVFRLKDRRGNDYLLGPTHEELFTLTVKGEYSSYKDFPLTLYQIQTKYRDEARPRAGILRAREFVMKDSYSFDIDAAGLKAAYHAHREAYQRIFDRLQVRYVIVSAVSGAMGGSASEEFLAESPSGEDAFVRCLESGYAANVEAVVTARPDTLPIDGLPEAVVHDTGDTPTIASLVAWANEADLGRTVTAADTLKNVLIKVRQPGGDTELLAIGVPGDREVDDKRLGAALEPADYALLDDDDFAKHPFLVKGYIGPKALRENNVRYLVDPRIVDGTSWITGADQPGRHVVGLVAGRDFTADGTIEAAEVREGDPSPDGAGPLVMARGIEIGHIFQLGSKYTDAFTADVLGEDGKPVRLTMGSYGIGVSRLVAVVAEQHHDELGLRWPSTVAPFDVHLVIANKDAQARAGATALAADLDRLGVEVLLDDRQASPGVKFKDAELLGMPWIVVVGRGWADGVVELRDRFSGQTRELVAGASLATDIAAAVTG |
| Complex: P5A_A_24(2J3L) / Model_1(2J3L/A) = [9.2]
| Download | 690.15 | 11.59 | MITRMSELFLRTLRDDPADAEVASHKLLIRAGYIRPVAPGLYSWLPLGLRVLRNIERVIRDEMNAIGGQEILFPALLPRAPYETTNRWTQYGDSVFRLKDRRGNDYLLGPTHEELFTLTVKGEYSSYKDFPLTLYQIQTKYRDEARPRAGILRAREFVMKDSYSFDIDAAGLKAAYHAHREAYQRIFDRLQVRYVIVSAVSGAMGGSASEEFLAESPSGEDAFVRCLESGYAANVEAVVTARPDTLPIDGLPEAVVHDTGDTPTIASLVAWANEADLGRTVTAADTLKNVLIKVRQPGGDTELLAIGVPGDREVDDKRLGAALEPADYALLDDDDFAKHPFLVKGYIGPKALRENNVRYLVDPRIVDGTSWITGADQPGRHVVGLVAGRDFTADGTIEAAEVREGDPSPDGAGPLVMARGIEIGHIFQLGSKYTDAFTADVLGEDGKPVRLTMGSYGIGVSRLVAVVAEQHHDELGLRWPSTVAPFDVHLVIANKDAQARAGATALAADLDRLGVEVLLDDRQASPGVKFKDAELLGMPWIVVVGRGWADGVVELRDRFSGQTRELVAGASLATDIAAAVTG |
Consensus
[pKd Mean = 8.56] | - | 834
(s=225) | 7
(s=8) | MITRMSELFLRTLRDDPADAEVASHKLLIRAGYIRPVAPGLYSWLPLGLRVLRNIERVIRDEMNAIGGQEILFPALLPRAPYETTNRWTQYGDSVFRLKDRRGNDYLLGPTHEELFTLTVKGEYSSYKDFPLTLYQIQTKYRDEARPRAGILRAREFVMKDSYSFDIDAAGLKAAYHAHREAYQRIFDRLQVRYVIVSAVSGAMGGSASEEFLAESPSGEDAFVRCLESGYAANVEAVVTARPDTLPIDGLPEAVVHDTGDTPTIASLVAWANEADLGRTVTAADTLKNVLIKVRQPGGDTELLAIGVPGDREVDDKRLGAALEPADYALLDDDDFAKHPFLVKGYIGPKALRENNVRYLVDPRIVDGTSWITGADQPGRHVVGLVAGRDFTADGTIEAAEVREGDPSPDGAGPLVMARGIEIGHIFQLGSKYTDAFTADVLGEDGKPVRLTMGSYGIGVSRLVAVVAEQHHDELGLRWPSTVAPFDVHLVIANKDAQARAGATALAADLDRLGVEVLLDDRQASPGVKFKDAELLGMPWIVVVGRGWADGVVELRDRFSGQTRELVAGASLATDIAAAVTG |