==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUL-11 3ST7 . COMPND 2 MOLECULE: CAPSULAR POLYSACCHARIDE SYNTHESIS ENZYME CAP5F; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MIYAFUSA,Y.TANAKA,M.KURODA,M.YAO,M.WATANABE,T.OHTA,I.TANAK . 369 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 19.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 0 0 0 1 2 0 1 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 4 0 2 3 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 . 1 1 0 1 2 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 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 1 A X 0 0 103 0, 0.0 26,-1.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 132.7 -56.4 42.1 10.4 2 2 A N E -a 27 0A 40 44,-0.2 46,-3.2 24,-0.2 47,-1.5 -0.769 360.0-174.0 -87.6 119.4 -56.2 41.7 6.6 3 3 A I E -ab 28 49A 0 24,-2.8 26,-2.8 -2,-0.6 2,-0.5 -0.949 8.3-159.1-117.5 121.6 -54.4 38.6 5.5 4 4 A V E -ab 29 50A 0 45,-2.7 47,-3.6 -2,-0.5 2,-0.6 -0.870 0.8-163.1-103.0 136.2 -53.6 37.8 1.8 5 5 A I E > -ab 30 51A 0 24,-2.4 26,-2.8 -2,-0.5 3,-0.6 -0.960 5.6-161.9-113.1 108.1 -52.9 34.3 0.8 6 6 A T E 3 S+ b 0 52A 0 45,-2.2 47,-1.0 -2,-0.6 26,-0.2 -0.608 81.9 32.1 -82.7 155.3 -51.2 34.0 -2.6 7 7 A G T > S+ 0 0 5 24,-0.5 3,-2.0 -2,-0.2 6,-0.5 0.825 78.5 160.2 65.2 33.1 -51.5 30.6 -4.2 8 8 A A T < + 0 0 1 23,-2.6 9,-0.2 -3,-0.6 24,-0.2 0.645 63.7 57.1 -64.4 -18.7 -54.8 30.3 -2.4 9 9 A K T 3 S+ 0 0 107 22,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.405 90.7 97.5 -94.3 -0.2 -56.1 27.5 -4.7 10 10 A G S <> S- 0 0 23 -3,-2.0 4,-3.0 1,-0.1 5,-0.3 -0.343 93.1 -93.5 -81.6 169.6 -53.2 25.3 -3.9 11 11 A F H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.914 124.6 37.5 -44.5 -60.5 -53.0 22.5 -1.4 12 12 A V H > S+ 0 0 13 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.906 115.7 55.3 -66.0 -40.5 -51.6 24.5 1.6 13 13 A G H > S+ 0 0 1 -6,-0.5 4,-3.0 2,-0.2 5,-0.2 0.929 107.5 47.2 -58.3 -51.3 -53.7 27.6 0.6 14 14 A K H X S+ 0 0 83 -4,-3.0 4,-2.3 -7,-0.2 -1,-0.2 0.909 116.2 46.9 -56.8 -44.0 -57.0 25.8 0.7 15 15 A N H X S+ 0 0 8 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.907 114.3 44.8 -63.2 -46.8 -56.0 24.2 4.0 16 16 A L H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.894 113.3 51.9 -65.8 -41.3 -54.9 27.5 5.6 17 17 A K H X S+ 0 0 72 -4,-3.0 4,-2.2 -5,-0.3 5,-0.3 0.943 108.4 49.4 -61.5 -50.3 -57.9 29.3 4.3 18 18 A A H X S+ 0 0 36 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.930 115.9 44.7 -57.1 -46.7 -60.4 26.8 5.8 19 19 A D H X S+ 0 0 49 -4,-2.0 4,-3.3 2,-0.2 3,-0.4 0.928 111.9 49.8 -59.8 -51.0 -58.6 27.0 9.1 20 20 A L H X S+ 0 0 2 -4,-2.9 4,-1.3 1,-0.3 6,-0.3 0.875 110.9 47.7 -63.0 -42.1 -58.2 30.8 9.3 21 21 A T H < S+ 0 0 72 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.740 119.3 43.3 -71.5 -21.7 -61.9 31.6 8.5 22 22 A S H < S+ 0 0 103 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.861 122.5 32.1 -87.2 -41.9 -62.9 29.0 11.1 23 23 A T H < S+ 0 0 79 -4,-3.3 2,-0.3 -5,-0.1 -3,-0.2 0.415 117.7 40.9-102.6 1.9 -60.5 29.8 14.0 24 24 A T < - 0 0 35 -4,-1.3 0, 0.0 -5,-0.2 0, 0.0 -0.920 66.0-128.3-144.0 168.8 -60.0 33.6 13.7 25 25 A D + 0 0 173 -2,-0.3 -4,-0.1 2,-0.1 -5,-0.0 0.276 66.1 127.3 -98.2 6.3 -61.7 36.9 13.0 26 26 A H - 0 0 49 -6,-0.3 2,-0.6 1,-0.1 -24,-0.2 -0.290 65.7-118.2 -65.2 147.1 -59.1 37.9 10.3 27 27 A H E -a 2 0A 110 -26,-1.9 -24,-2.8 2,-0.0 2,-0.5 -0.808 32.1-150.9 -85.7 120.6 -60.4 39.0 6.9 28 28 A I E -a 3 0A 21 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.828 11.2-167.2-102.3 125.3 -58.9 36.5 4.4 29 29 A F E -a 4 0A 31 -26,-2.8 -24,-2.4 -2,-0.5 2,-0.5 -0.946 10.6-153.7-113.5 117.8 -58.2 37.6 0.8 30 30 A E E -a 5 0A 62 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.777 12.8-177.2 -95.2 125.1 -57.5 34.8 -1.6 31 31 A V + 0 0 2 -26,-2.8 -23,-2.6 -2,-0.5 -24,-0.5 -0.961 15.3 146.0-120.4 146.5 -55.4 35.4 -4.7 32 32 A H > - 0 0 42 -2,-0.4 3,-0.7 -25,-0.2 22,-0.0 -0.719 59.3 -59.7-152.1-163.7 -54.6 32.8 -7.3 33 33 A R T 3 S+ 0 0 110 1,-0.2 -1,-0.0 -2,-0.2 27,-0.0 0.927 127.8 43.7 -60.9 -47.5 -54.0 32.0 -11.0 34 34 A Q T 3 S+ 0 0 169 2,-0.0 2,-0.2 25,-0.0 -1,-0.2 0.495 82.1 126.6 -79.5 -6.9 -57.3 33.4 -12.3 35 35 A T < - 0 0 22 -3,-0.7 5,-0.1 1,-0.1 -4,-0.0 -0.385 64.7-119.8 -61.3 118.2 -57.3 36.6 -10.1 36 36 A K > - 0 0 149 -2,-0.2 4,-1.1 1,-0.1 3,-0.3 -0.193 22.7-115.1 -53.7 147.1 -57.8 39.7 -12.3 37 37 A E H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.852 111.3 53.9 -57.3 -38.3 -54.9 42.1 -12.1 38 38 A E H > S+ 0 0 167 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 106.6 49.5 -70.3 -38.1 -56.9 44.9 -10.5 39 39 A E H > S+ 0 0 104 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.677 106.9 57.4 -74.9 -17.3 -58.2 42.9 -7.5 40 40 A L H X S+ 0 0 5 -4,-1.1 4,-2.6 -3,-0.3 -2,-0.2 0.923 109.4 43.9 -69.6 -52.2 -54.6 41.7 -6.8 41 41 A E H X S+ 0 0 84 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.897 114.4 52.9 -56.8 -42.3 -53.4 45.3 -6.5 42 42 A S H X S+ 0 0 58 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.938 111.8 42.5 -62.7 -51.6 -56.5 45.9 -4.4 43 43 A A H X S+ 0 0 7 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.910 113.4 52.1 -62.0 -45.3 -56.0 43.0 -2.0 44 44 A L H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.856 107.3 51.8 -63.3 -37.3 -52.2 43.7 -1.6 45 45 A L H 3< S+ 0 0 66 -4,-2.0 40,-0.3 1,-0.2 -1,-0.2 0.776 110.7 48.2 -70.8 -27.7 -52.7 47.4 -0.7 46 46 A K H 3< S+ 0 0 97 -4,-1.1 -44,-0.2 -3,-0.4 -1,-0.2 0.521 92.6 122.5 -81.6 -9.6 -55.2 46.5 2.0 47 47 A A << + 0 0 0 -3,-0.7 -44,-0.2 -4,-0.5 3,-0.1 -0.258 37.3 174.7 -77.7 142.3 -53.0 43.9 3.5 48 48 A D S S+ 0 0 48 -46,-3.2 40,-1.2 1,-0.4 2,-0.3 0.589 82.5 20.3-107.4 -22.8 -51.5 43.5 7.0 49 49 A F E -bc 3 88A 5 -47,-1.5 -45,-2.7 38,-0.2 2,-0.5 -0.980 67.4-152.6-145.4 136.0 -49.9 40.1 6.5 50 50 A I E -bc 4 89A 1 38,-3.1 40,-3.1 -2,-0.3 2,-0.8 -0.953 3.1-166.8-111.2 120.8 -48.9 38.4 3.2 51 51 A V E -bc 5 90A 0 -47,-3.6 -45,-2.2 -2,-0.5 2,-1.1 -0.896 14.9-159.4-103.4 103.6 -48.8 34.6 3.1 52 52 A H E +bc 6 91A 7 38,-2.8 40,-1.6 -2,-0.8 -45,-0.1 -0.707 35.0 144.0 -97.1 98.6 -46.9 33.9 -0.1 53 53 A L + 0 0 25 -2,-1.1 -46,-0.2 -47,-1.0 -1,-0.2 0.443 31.5 121.3-111.7 -7.6 -47.7 30.3 -1.2 54 54 A A - 0 0 11 1,-0.1 38,-0.1 2,-0.1 -48,-0.1 -0.178 66.7-103.5 -60.6 150.2 -47.7 30.8 -5.0 55 55 A G - 0 0 48 2,-0.1 17,-0.2 1,-0.1 -1,-0.1 -0.073 39.2 -98.8 -60.3 174.7 -45.4 28.9 -7.4 56 56 A V S S+ 0 0 50 16,-0.1 16,-1.7 15,-0.1 17,-0.4 0.825 99.9 64.5 -75.7 -32.0 -42.4 30.7 -8.9 57 57 A N B S-E 71 0B 67 14,-0.2 14,-0.2 15,-0.1 -2,-0.1 -0.596 87.8-105.6 -93.8 150.5 -44.0 31.6 -12.4 58 58 A R > - 0 0 64 12,-1.3 3,-2.4 -2,-0.2 -1,-0.1 -0.463 27.6-115.4 -72.1 143.5 -47.0 33.9 -13.1 59 59 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.760 118.4 60.8 -39.7 -33.2 -50.4 32.4 -14.1 60 60 A E T 3 S+ 0 0 93 2,-0.0 2,-0.2 10,-0.0 5,-0.2 0.663 77.9 112.2 -75.3 -19.8 -49.8 34.2 -17.5 61 61 A H < + 0 0 69 -3,-2.4 2,-0.2 9,-0.1 5,-0.1 -0.401 38.8 135.4 -61.9 124.2 -46.6 32.1 -18.1 62 62 A D S > S- 0 0 91 -2,-0.2 3,-0.9 3,-0.0 -4,-0.0 -0.791 72.3 -58.5-154.2-173.3 -47.2 29.7 -21.0 63 63 A K T 3 S+ 0 0 174 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.710 124.3 64.9 -55.6 -26.4 -45.3 28.6 -24.2 64 64 A E T 3 S+ 0 0 127 1,-0.2 2,-1.2 2,-0.1 3,-0.4 0.929 94.6 61.0 -61.9 -49.5 -45.1 32.2 -25.6 65 65 A F < + 0 0 87 -3,-0.9 -1,-0.2 1,-0.2 3,-0.1 -0.670 49.6 131.2 -89.8 84.3 -42.8 33.5 -22.7 66 66 A S S S+ 0 0 110 -2,-1.2 2,-0.3 -3,-0.1 -1,-0.2 0.703 78.2 48.8 -93.6 -34.9 -39.6 31.5 -22.7 67 67 A L S S+ 0 0 154 -3,-0.4 2,-0.0 2,-0.1 -1,-0.0 -0.744 92.4 57.1 -96.6 150.3 -37.8 34.9 -22.6 68 68 A G S S- 0 0 63 -2,-0.3 2,-0.9 -3,-0.1 -3,-0.0 -0.034 88.4 -67.3 111.9 150.3 -38.7 37.6 -20.0 69 69 A N + 0 0 117 1,-0.1 -2,-0.1 2,-0.1 -4,-0.0 -0.624 50.2 163.4 -73.9 103.0 -39.1 38.2 -16.3 70 70 A V + 0 0 33 -2,-0.9 -12,-1.3 -5,-0.0 2,-0.6 -0.144 19.9 143.1-112.7 33.3 -42.1 36.1 -15.3 71 71 A S B > -E 57 0B 37 -14,-0.2 4,-1.6 1,-0.2 -14,-0.2 -0.681 33.1-167.4 -83.9 117.9 -41.5 36.2 -11.5 72 72 A Y H > S+ 0 0 12 -16,-1.7 4,-2.3 -2,-0.6 -1,-0.2 0.831 87.4 53.3 -72.2 -34.0 -44.7 36.3 -9.5 73 73 A L H > S+ 0 0 11 -17,-0.4 4,-2.8 2,-0.2 5,-0.3 0.918 107.1 52.7 -65.1 -43.2 -43.0 37.2 -6.2 74 74 A D H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.935 111.5 46.1 -57.8 -48.1 -41.2 40.2 -7.9 75 75 A H H X S+ 0 0 31 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.902 112.3 50.8 -60.9 -45.0 -44.6 41.4 -9.2 76 76 A V H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.894 114.3 43.5 -60.2 -43.2 -46.2 40.9 -5.8 77 77 A L H X S+ 0 0 2 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.845 107.2 61.4 -70.7 -35.9 -43.5 42.8 -4.0 78 78 A D H >< S+ 0 0 92 -4,-2.5 3,-0.7 -5,-0.3 4,-0.2 0.919 108.1 43.3 -56.6 -44.5 -43.5 45.5 -6.7 79 79 A I H >< S+ 0 0 4 -4,-1.9 3,-1.8 1,-0.2 4,-0.2 0.905 103.7 64.0 -67.4 -44.2 -47.2 46.2 -5.8 80 80 A L H >< S+ 0 0 4 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.598 79.4 86.5 -59.5 -11.5 -46.6 46.2 -2.0 81 81 A T T << S+ 0 0 68 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.893 89.6 48.9 -52.7 -40.6 -44.3 49.2 -2.5 82 82 A R T < S+ 0 0 116 -3,-1.8 2,-0.8 -4,-0.2 -1,-0.3 0.561 82.2 117.3 -78.5 -8.8 -47.4 51.4 -2.2 83 83 A N < - 0 0 12 -3,-1.3 -37,-0.1 -4,-0.2 -38,-0.1 -0.501 50.0-163.3 -70.2 105.2 -48.6 49.6 0.9 84 84 A T S S+ 0 0 134 -2,-0.8 -1,-0.2 -39,-0.2 2,-0.1 0.894 76.7 63.0 -52.8 -53.3 -48.6 52.2 3.7 85 85 A K S S- 0 0 81 -40,-0.3 -38,-0.1 -38,-0.1 0, 0.0 -0.442 94.5-124.5 -69.3 149.3 -48.7 49.7 6.5 86 86 A K - 0 0 136 -2,-0.1 38,-0.5 36,-0.1 -2,-0.1 -0.648 33.3-158.5-103.0 78.7 -45.6 47.6 6.4 87 87 A P - 0 0 3 0, 0.0 -38,-0.2 0, 0.0 -39,-0.1 -0.234 15.9-117.2 -67.0 140.8 -47.2 44.1 6.2 88 88 A A E -c 49 0A 11 -40,-1.2 -38,-3.1 35,-0.2 2,-0.4 -0.405 28.0-145.7 -71.3 151.6 -45.1 41.1 7.3 89 89 A I E -cd 50 125A 2 35,-2.3 37,-2.6 -40,-0.2 2,-0.5 -0.985 8.7-160.2-127.4 130.3 -44.4 38.6 4.5 90 90 A L E -cd 51 126A 0 -40,-3.1 -38,-2.8 -2,-0.4 2,-0.5 -0.944 11.9-163.3-109.1 126.3 -44.2 34.8 4.9 91 91 A L E -cd 52 127A 7 35,-2.7 37,-2.3 -2,-0.5 2,-1.4 -0.950 12.9-149.1-114.8 122.2 -42.4 33.0 2.1 92 92 A S E + d 0 128A 11 -40,-1.6 37,-0.1 -2,-0.5 2,-0.1 -0.695 32.7 165.4 -85.8 89.4 -42.6 29.3 1.6 93 93 A S E - 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