==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUL-12 4G5H . COMPND 2 MOLECULE: CAPSULAR POLYSACCHARIDE SYNTHESIS ENZYME CAP8E; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MIYAFUSA,J.M.M.CAAVEIRO,Y.TANAKA,K.TSUMOTO . 346 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 0 3 1 0 4 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -8 A G 0 0 82 0, 0.0 4,-0.1 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 179.7 -40.8 9.3 -2.0 2 -7 A L + 0 0 17 2,-0.1 34,-0.0 30,-0.1 31,-0.0 0.256 360.0 69.0 -91.4 6.8 -43.4 11.8 -0.9 3 -6 A V S S- 0 0 39 4,-0.1 4,-0.1 6,-0.0 3,-0.1 -0.990 87.3-105.5-138.6 132.5 -45.6 11.2 -4.1 4 -5 A P > - 0 0 33 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.123 49.0 -88.2 -55.2 153.3 -47.8 8.1 -5.2 5 -4 A R T 3 S+ 0 0 250 1,-0.3 3,-0.1 -4,-0.1 0, 0.0 -0.336 119.3 27.7 -53.7 138.2 -46.5 5.9 -8.0 6 -3 A G T 3 S+ 0 0 91 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.609 110.6 84.8 76.9 5.4 -47.8 7.4 -11.3 7 -2 A S < - 0 0 74 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.3 -0.858 50.1-173.6-118.8 169.3 -48.0 11.0 -9.9 8 -1 A A + 0 0 92 -2,-0.3 -3,-0.0 -3,-0.1 -5,-0.0 -0.943 10.2 166.4-146.0 150.7 -45.6 13.9 -9.5 9 0 A M - 0 0 79 -2,-0.3 3,-0.1 -6,-0.0 -1,-0.1 0.598 28.3-142.5-122.1 -43.4 -46.1 17.1 -7.8 10 1 A G - 0 0 21 1,-0.1 3,-0.3 2,-0.1 -2,-0.1 0.478 2.7-149.5 73.0 122.5 -42.9 19.1 -7.1 11 2 A F > + 0 0 10 1,-0.2 3,-2.1 2,-0.1 28,-1.9 0.122 62.8 120.8-116.9 17.9 -43.1 20.8 -3.9 12 3 A D T 3 S+ 0 0 111 1,-0.3 -1,-0.2 26,-0.3 -2,-0.1 0.630 85.8 30.3 -64.9 -21.5 -40.9 23.6 -5.3 13 4 A D T 3 S+ 0 0 93 -3,-0.3 2,-0.3 26,-0.0 -1,-0.3 0.104 105.6 109.8-117.7 12.5 -43.6 26.2 -4.6 14 5 A K < - 0 0 22 -3,-2.1 26,-1.4 23,-0.2 25,-1.3 -0.757 51.9-154.8-105.5 148.5 -45.0 24.4 -1.5 15 6 A I E -a 40 0A 6 -2,-0.3 69,-2.2 67,-0.3 70,-2.0 -0.944 4.8-162.4-122.8 126.2 -44.9 25.1 2.1 16 7 A L E -ab 41 85A 0 24,-2.4 26,-3.3 -2,-0.5 2,-0.4 -0.896 4.9-160.5-104.5 133.9 -45.1 22.5 4.9 17 8 A L E -ab 42 86A 1 68,-3.0 70,-2.5 -2,-0.4 2,-0.6 -0.976 2.3-165.5-111.2 133.5 -46.0 23.6 8.5 18 9 A I E > -ab 43 87A 0 24,-3.1 26,-2.3 -2,-0.4 3,-0.9 -0.941 5.5-157.8-118.7 108.2 -45.1 21.2 11.4 19 10 A T E 3 S+ab 44 88A 0 68,-1.6 70,-1.1 -2,-0.6 26,-0.2 -0.601 90.3 23.6 -75.2 151.4 -46.8 22.0 14.7 20 11 A G T > S+ 0 0 18 24,-1.4 3,-1.6 -2,-0.2 6,-0.4 0.880 88.1 160.4 58.9 30.6 -44.8 20.5 17.6 21 12 A G T < + 0 0 0 23,-1.5 9,-0.2 -3,-0.9 24,-0.1 0.650 59.3 58.5 -66.3 -15.7 -42.0 20.7 14.9 22 13 A T T 3 S+ 0 0 16 22,-0.3 -1,-0.3 4,-0.1 23,-0.1 0.532 88.9 90.7 -90.1 -13.0 -39.2 20.4 17.5 23 14 A G S <> S- 0 0 33 -3,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.108 96.8 -83.3 -79.1-174.5 -40.3 17.0 19.0 24 15 A S H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.910 126.1 35.6 -63.9 -45.7 -39.1 13.5 17.8 25 16 A F H > S+ 0 0 13 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.865 113.0 58.6 -70.6 -37.2 -41.5 13.0 15.0 26 17 A G H > S+ 0 0 1 -6,-0.4 4,-3.2 1,-0.2 -2,-0.2 0.943 111.6 43.7 -60.1 -45.8 -41.6 16.6 13.9 27 18 A N H X S+ 0 0 30 -4,-2.3 4,-3.8 2,-0.2 -1,-0.2 0.907 114.1 46.4 -62.8 -51.5 -37.9 16.3 13.4 28 19 A A H X S+ 0 0 17 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.914 117.7 46.2 -59.0 -41.1 -37.9 12.9 11.7 29 20 A V H X S+ 0 0 1 -4,-3.5 4,-2.0 2,-0.2 -2,-0.2 0.935 113.0 49.2 -69.3 -43.9 -40.7 14.3 9.5 30 21 A M H X S+ 0 0 0 -4,-3.2 4,-1.5 -5,-0.3 -2,-0.2 0.953 111.0 49.9 -49.5 -53.6 -38.8 17.5 8.9 31 22 A K H X S+ 0 0 101 -4,-3.8 4,-0.5 1,-0.2 -1,-0.2 0.745 107.2 55.8 -69.1 -21.8 -35.7 15.6 8.0 32 23 A R H >< S+ 0 0 51 -4,-1.4 3,-1.6 -5,-0.2 -1,-0.2 0.977 110.0 43.2 -67.9 -52.0 -37.7 13.5 5.5 33 24 A F H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.3 5,-0.4 0.664 99.6 69.5 -72.1 -14.7 -39.0 16.5 3.6 34 25 A L H 3< S+ 0 0 29 -4,-1.5 2,-0.9 1,-0.3 -1,-0.3 0.826 90.9 66.3 -65.3 -28.1 -35.5 18.2 3.7 35 26 A D T << S+ 0 0 139 -3,-1.6 -1,-0.3 -4,-0.5 2,-0.3 -0.176 102.7 70.1 -77.9 39.0 -34.9 15.2 1.3 36 27 A S S < S- 0 0 23 -2,-0.9 -3,-0.0 -3,-0.7 -4,-0.0 -0.858 94.3 -99.0-151.6-178.6 -37.3 16.9 -1.1 37 28 A N + 0 0 90 -2,-0.3 -23,-0.2 -24,-0.0 -3,-0.1 0.449 68.4 140.1 -84.8 -11.6 -38.2 19.7 -3.5 38 29 A I - 0 0 0 -5,-0.4 -26,-0.3 1,-0.1 -23,-0.1 -0.034 48.5-144.6 -42.4 133.8 -40.2 21.5 -0.8 39 30 A K S S- 0 0 98 -28,-1.9 2,-0.3 -25,-1.3 -24,-0.2 0.883 75.4 -1.0 -69.4 -37.1 -39.9 25.3 -0.8 40 31 A E E -a 15 0A 30 -26,-1.4 -24,-2.4 -29,-0.2 2,-0.5 -0.995 51.3-157.5-158.9 138.7 -40.1 25.9 2.9 41 32 A I E -ac 16 63A 0 21,-2.7 23,-2.5 -2,-0.3 2,-0.6 -0.972 18.8-156.9-117.8 114.0 -40.6 23.9 6.1 42 33 A R E -ac 17 64A 15 -26,-3.3 -24,-3.1 -2,-0.5 2,-0.7 -0.808 2.3-154.0 -97.0 127.5 -41.9 25.9 9.0 43 34 A I E -ac 18 65A 0 21,-3.2 23,-3.2 -2,-0.6 2,-0.6 -0.872 15.8-169.9 -99.9 116.4 -41.2 24.6 12.4 44 35 A F E +ac 19 66A 3 -26,-2.3 -23,-1.5 -2,-0.7 -24,-1.4 -0.920 25.2 119.5-116.7 114.4 -43.9 25.9 14.9 45 36 A S E - c 0 67A 9 21,-1.9 23,-2.2 -2,-0.6 24,-0.1 -0.991 64.7-109.0-161.7-176.6 -43.6 25.5 18.5 46 37 A R S S+ 0 0 165 -2,-0.3 2,-0.7 21,-0.2 21,-0.1 0.659 86.0 88.9 -89.2 -22.7 -43.4 27.2 21.7 47 38 A D > - 0 0 36 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.765 44.9-175.5 -98.7 108.7 -39.7 26.5 22.5 48 39 A E H > S+ 0 0 141 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.807 84.9 56.1 -70.6 -25.2 -37.0 28.9 21.4 49 40 A K H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.967 108.4 43.8 -69.9 -56.6 -34.2 26.7 22.7 50 41 A K H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 114.6 53.6 -56.2 -39.5 -35.1 23.5 20.8 51 42 A Q H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.901 107.3 48.5 -62.4 -45.6 -35.7 25.7 17.7 52 43 A D H X S+ 0 0 61 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.905 110.0 53.1 -60.2 -43.0 -32.2 27.4 17.9 53 44 A D H X S+ 0 0 91 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.956 112.5 44.5 -52.5 -52.8 -30.5 23.9 18.3 54 45 A I H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.960 111.9 51.5 -61.8 -50.3 -32.3 22.6 15.2 55 46 A R H X S+ 0 0 118 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.933 113.7 45.2 -45.7 -55.7 -31.6 25.8 13.1 56 47 A K H < S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.6 50.1 -66.1 -38.4 -27.8 25.6 14.0 57 48 A K H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.958 121.4 32.1 -65.9 -44.4 -27.5 21.9 13.3 58 49 A Y H < S- 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.825 74.6-168.3 -85.4 -30.6 -29.1 22.0 9.9 59 50 A N < + 0 0 129 -4,-3.2 2,-0.5 -5,-0.4 -3,-0.1 0.909 34.0 149.5 39.0 59.5 -28.2 25.5 8.6 60 51 A N > - 0 0 61 -5,-0.3 3,-1.7 1,-0.1 -1,-0.2 -0.975 48.8-147.8-128.0 122.5 -30.7 25.0 5.8 61 52 A S T 3 S+ 0 0 106 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.609 94.6 70.3 -74.8 -7.3 -32.4 28.0 4.4 62 53 A K T 3 S+ 0 0 52 -22,-0.1 -21,-2.7 -28,-0.0 2,-0.4 0.726 85.1 85.8 -64.3 -28.3 -35.6 26.0 3.7 63 54 A L E < -c 41 0A 9 -3,-1.7 2,-0.4 -23,-0.2 -21,-0.2 -0.679 56.9-178.9 -85.4 129.3 -36.2 25.8 7.5 64 55 A K E -c 42 0A 84 -23,-2.5 -21,-3.2 -2,-0.4 2,-0.6 -0.974 17.0-144.0-127.1 142.6 -38.1 28.7 9.1 65 56 A F E -c 43 0A 50 -2,-0.4 2,-0.5 -23,-0.2 -21,-0.2 -0.927 15.3-172.3-116.5 119.5 -38.7 28.8 12.8 66 57 A Y E -c 44 0A 62 -23,-3.2 -21,-1.9 -2,-0.6 2,-0.5 -0.949 15.0-145.6-110.7 128.6 -42.0 30.2 14.1 67 58 A I E +c 45 0A 106 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.757 48.6 113.5 -86.0 128.4 -42.7 30.8 17.8 68 59 A G - 0 0 10 -23,-2.2 2,-0.4 -2,-0.5 3,-0.0 -0.987 54.6-117.6-176.1-173.4 -46.3 30.2 18.6 69 60 A D > - 0 0 54 3,-0.3 3,-1.8 -2,-0.3 7,-0.3 -0.993 15.8-137.2-144.8 127.7 -48.8 27.9 20.5 70 61 A V T 3 S+ 0 0 5 -2,-0.4 45,-0.1 1,-0.3 6,-0.1 0.753 104.9 68.5 -59.6 -22.4 -51.7 25.8 19.1 71 62 A R T 3 S+ 0 0 79 1,-0.1 2,-0.6 44,-0.1 -1,-0.3 0.586 91.7 65.5 -67.0 -15.3 -53.8 27.1 22.0 72 63 A D <> - 0 0 79 -3,-1.8 4,-2.1 1,-0.1 3,-0.4 -0.919 67.4-159.6-117.2 105.2 -53.7 30.7 20.5 73 64 A S H > S+ 0 0 43 -2,-0.6 4,-2.8 1,-0.2 -1,-0.1 0.885 92.3 53.1 -58.8 -33.9 -55.6 31.1 17.1 74 65 A Q H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 108.5 48.5 -67.3 -41.1 -53.7 34.4 16.2 75 66 A S H > S+ 0 0 24 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.926 113.3 47.9 -67.5 -36.1 -50.3 32.8 16.7 76 67 A V H X S+ 0 0 2 -4,-2.1 4,-1.9 -7,-0.3 3,-0.3 0.940 107.8 56.6 -65.1 -43.2 -51.4 29.8 14.5 77 68 A E H X S+ 0 0 64 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.913 102.5 54.8 -59.0 -43.9 -52.7 32.2 11.9 78 69 A T H < S+ 0 0 80 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.918 114.9 39.0 -51.2 -44.6 -49.3 33.9 11.6 79 70 A A H < S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.756 112.8 56.9 -81.4 -17.9 -47.6 30.6 10.9 80 71 A M H >< S+ 0 0 0 -4,-1.9 3,-2.5 -3,-0.2 -1,-0.2 0.654 74.3 117.8 -92.6 -17.7 -50.4 29.2 8.7 81 72 A R T 3< S+ 0 0 106 -4,-1.4 43,-0.1 1,-0.3 39,-0.0 -0.252 91.5 0.1 -56.7 127.6 -50.5 32.1 6.1 82 73 A D T 3 S+ 0 0 116 41,-0.3 -1,-0.3 1,-0.2 -67,-0.3 0.536 96.4 147.4 70.3 10.9 -49.6 30.7 2.6 83 74 A V < - 0 0 3 -3,-2.5 -1,-0.2 1,-0.1 -67,-0.2 -0.475 30.7-174.3 -78.0 141.9 -49.2 27.1 3.9 84 75 A D + 0 0 20 -69,-2.2 42,-2.0 1,-0.3 43,-1.3 0.768 69.8 25.5 -97.2 -39.9 -50.0 24.1 1.7 85 76 A Y E -bd 16 127A 10 -70,-2.0 -68,-3.0 41,-0.2 2,-0.4 -0.992 60.1-163.7-134.2 142.5 -49.6 21.2 4.1 86 77 A V E -bd 17 128A 0 41,-2.6 43,-2.5 -2,-0.4 2,-0.7 -0.981 6.7-166.8-125.2 128.6 -49.8 20.8 7.8 87 78 A F E -bd 18 129A 0 -70,-2.5 -68,-1.6 -2,-0.4 2,-1.1 -0.962 21.3-152.9-106.0 108.5 -48.4 17.9 9.9 88 79 A H E +bd 19 130A 0 41,-3.4 43,-2.2 -2,-0.7 -68,-0.1 -0.719 39.1 143.4 -93.4 102.8 -50.0 18.5 13.2 89 80 A A + 0 0 22 -70,-1.1 2,-0.2 -2,-1.1 -69,-0.2 0.394 25.5 121.9-118.5 0.9 -47.9 17.0 15.8 90 81 A A + 0 0 14 -3,-0.1 2,-0.3 22,-0.1 41,-0.1 -0.466 39.8 130.2 -69.8 134.3 -48.2 19.5 18.7 91 82 A A - 0 0 34 -2,-0.2 2,-0.6 21,-0.0 14,-0.1 -0.963 64.6-114.3-173.2 152.1 -49.5 17.6 21.9 92 83 A L + 0 0 41 -2,-0.3 17,-0.1 13,-0.2 -2,-0.0 -0.957 46.6 167.2 -93.3 115.7 -49.1 16.9 25.5 93 84 A K + 0 0 110 -2,-0.6 2,-0.5 54,-0.0 -1,-0.1 0.418 30.1 104.7-119.1 2.5 -48.3 13.2 25.2 94 85 A Q > - 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