==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-SEP-97 1AVM . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII SUBSP . AUTHOR M.SCHMIDT,F.PARAK . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 2 0 0 0 2 2 0 3 1 2 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 2 0 2 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 . 0 0 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 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 A 0 0 116 0, 0.0 3,-0.1 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 162.2 44.2 -3.1 49.2 2 2 A V + 0 0 102 1,-0.1 2,-0.4 38,-0.0 38,-0.0 0.942 360.0 39.2 -71.4 -47.5 46.5 -0.4 48.0 3 3 A Y S S- 0 0 54 33,-0.2 2,-0.3 34,-0.0 -1,-0.1 -0.835 71.1-171.3-108.3 142.3 43.9 2.3 48.4 4 4 A T - 0 0 98 -2,-0.4 -2,-0.0 -3,-0.1 29,-0.0 -0.941 29.9-109.0-131.7 151.0 41.4 2.6 51.2 5 5 A L - 0 0 54 -2,-0.3 2,-0.1 24,-0.0 28,-0.1 -0.699 36.1-138.2 -80.3 115.9 38.4 4.9 51.9 6 6 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.446 18.5-117.0 -73.5 148.7 39.3 7.3 54.7 7 7 A E - 0 0 153 -2,-0.1 72,-0.0 1,-0.1 0, 0.0 -0.525 35.0 -96.9 -81.9 154.2 36.7 8.0 57.3 8 8 A L - 0 0 22 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.509 24.3-134.3 -69.6 139.0 35.2 11.5 57.7 9 9 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.279 87.8 26.1 -78.2 13.6 37.0 13.5 60.5 10 10 A Y S S- 0 0 35 73,-0.1 -2,-0.1 5,-0.0 5,-0.0 -0.955 101.0 -69.0-161.2 172.2 33.5 14.5 61.7 11 11 A D > - 0 0 97 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.346 47.4-112.4 -69.9 153.7 29.8 13.5 61.7 12 12 A Y T 3 S+ 0 0 62 1,-0.3 3,-0.4 2,-0.1 12,-0.2 0.806 118.5 42.3 -56.1 -33.8 27.9 13.5 58.4 13 13 A S T > S+ 0 0 52 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.327 84.5 101.8 -98.1 9.1 25.7 16.4 59.6 14 14 A A T < S+ 0 0 30 -3,-1.6 71,-0.3 1,-0.2 -1,-0.2 0.736 78.2 54.3 -64.2 -24.8 28.5 18.4 61.2 15 15 A L T >> S+ 0 0 0 -3,-0.4 4,-1.3 -4,-0.3 3,-0.9 0.458 91.3 152.1 -91.4 -1.3 28.8 20.8 58.3 16 16 A E T <4 + 0 0 99 -3,-1.3 69,-0.2 1,-0.3 4,-0.1 -0.356 49.4 29.5 -69.2 156.2 25.1 21.8 58.3 17 17 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.997 127.6 47.2 -80.9 -0.1 23.4 24.2 57.6 18 18 A Y T <4 S+ 0 0 49 -3,-0.9 2,-0.4 1,-0.3 -2,-0.3 0.896 126.7 18.9 -67.0 -46.1 26.1 24.9 54.9 19 19 A I S < S- 0 0 4 -4,-1.3 -1,-0.3 162,-0.1 -4,-0.2 -0.985 90.0-123.3-130.1 119.8 26.4 21.4 53.5 20 20 A S > - 0 0 19 -2,-0.4 4,-2.1 -3,-0.2 3,-0.3 -0.253 9.4-130.9 -64.4 147.1 23.6 18.9 54.1 21 21 A G H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.783 107.5 64.2 -66.5 -28.1 24.3 15.6 55.8 22 22 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 106.7 42.5 -61.8 -41.9 22.4 13.9 53.0 23 23 A I H > S+ 0 0 3 -3,-0.3 4,-3.2 2,-0.2 5,-0.3 0.935 111.7 53.8 -70.2 -46.1 25.0 15.1 50.5 24 24 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 -12,-0.2 5,-0.4 0.869 109.7 49.5 -56.3 -38.6 27.9 14.2 52.8 25 25 A E H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 5,-0.5 0.936 116.4 38.4 -68.1 -50.2 26.6 10.7 53.2 26 26 A L H X>S+ 0 0 29 -4,-1.8 5,-1.9 3,-0.2 4,-1.8 0.924 116.9 53.2 -66.0 -44.1 26.1 9.9 49.5 27 27 A H H <>S+ 0 0 3 -4,-3.2 5,-2.1 -5,-0.2 -2,-0.2 0.896 121.1 28.8 -58.8 -45.8 29.2 11.8 48.5 28 28 A H H <>S+ 0 0 0 -4,-2.1 5,-0.9 -5,-0.3 -2,-0.2 0.947 125.7 40.6 -82.8 -54.0 31.5 9.9 50.9 29 29 A D H <5S+ 0 0 46 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.783 131.9 19.9 -67.3 -33.0 29.9 6.5 51.3 30 30 A K T X5S+ 0 0 94 -4,-1.8 4,-1.7 -5,-0.5 -3,-0.2 0.856 128.7 35.4-101.9 -64.2 28.9 6.0 47.6 31 31 A H H >S+ 0 0 9 -4,-2.2 5,-2.1 1,-0.2 4,-0.9 0.911 108.8 46.4 -59.3 -46.6 48.7 -6.9 31.8 50 50 A R H <5S+ 0 0 154 -4,-2.0 3,-0.3 3,-0.2 -1,-0.2 0.905 111.9 52.1 -63.8 -41.5 52.4 -7.1 32.8 51 51 A D H <5S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.927 118.5 34.7 -60.5 -48.2 52.1 -10.8 33.8 52 52 A K H <5S- 0 0 152 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.483 105.0-125.9 -86.1 -4.0 50.5 -11.8 30.5 53 53 A A T <5 + 0 0 78 -4,-0.9 2,-0.6 -3,-0.3 -3,-0.2 0.881 66.9 136.9 58.7 37.2 52.5 -9.3 28.4 54 54 A D < + 0 0 108 -5,-2.1 3,-0.3 -6,-0.2 -1,-0.2 -0.887 20.2 161.2-120.0 99.2 49.2 -8.0 27.1 55 55 A F > + 0 0 107 -2,-0.6 3,-1.7 1,-0.2 4,-0.2 0.031 34.3 121.3-105.9 27.7 49.0 -4.2 27.0 56 56 A G T 3 S+ 0 0 69 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.841 80.1 41.8 -58.9 -36.1 46.2 -4.0 24.5 57 57 A A T >> S+ 0 0 49 -3,-0.3 4,-2.6 1,-0.2 3,-0.5 0.187 77.6 120.6 -98.3 18.5 44.0 -2.1 26.9 58 58 A I H <> S+ 0 0 52 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 0.845 72.8 52.8 -50.8 -42.2 46.8 0.2 28.2 59 59 A N H 3> S+ 0 0 140 -3,-0.3 4,-1.3 -4,-0.2 -1,-0.2 0.906 112.8 45.0 -62.6 -40.6 45.0 3.4 27.1 60 60 A K H <> S+ 0 0 131 -3,-0.5 4,-2.6 2,-0.2 3,-0.3 0.948 114.4 48.3 -66.9 -48.0 41.9 2.4 29.0 61 61 A L H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.840 109.1 52.1 -63.0 -37.6 43.8 1.3 32.1 62 62 A E H X S+ 0 0 99 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.815 113.2 44.8 -70.5 -31.2 45.9 4.5 32.3 63 63 A K H X S+ 0 0 64 -4,-1.3 4,-3.1 -3,-0.3 5,-0.3 0.888 111.8 52.3 -77.3 -40.4 42.7 6.6 32.1 64 64 A D H X S+ 0 0 25 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.912 112.9 46.3 -59.0 -43.2 40.9 4.4 34.6 65 65 A L H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.951 115.4 44.6 -64.9 -50.7 43.9 4.8 37.0 66 66 A A H X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.926 116.6 45.4 -60.7 -48.5 44.2 8.6 36.5 67 67 A F H X S+ 0 0 12 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.947 120.1 38.2 -61.0 -54.0 40.5 9.3 36.8 68 68 A N H X S+ 0 0 20 -4,-2.2 4,-2.2 -5,-0.3 -29,-0.2 0.906 118.6 46.7 -67.6 -43.6 39.9 7.1 39.9 69 69 A L H X S+ 0 0 49 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.903 113.4 49.8 -66.6 -40.3 43.1 7.9 41.7 70 70 A A H X S+ 0 0 18 -4,-2.2 4,-2.9 -5,-0.4 -1,-0.2 0.896 110.5 51.1 -64.0 -39.0 42.6 11.6 41.1 71 71 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.896 111.8 47.1 -64.1 -39.3 39.1 11.3 42.4 72 72 A H H X S+ 0 0 21 -4,-2.2 4,-2.1 -37,-0.2 -2,-0.2 0.932 114.6 46.1 -67.2 -46.4 40.4 9.5 45.5 73 73 A V H X S+ 0 0 63 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.935 112.9 49.6 -61.5 -49.3 43.1 12.1 46.0 74 74 A N H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.887 114.7 42.8 -59.4 -45.4 40.8 15.1 45.5 75 75 A H H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.850 108.8 57.8 -72.7 -33.9 38.1 13.9 47.9 76 76 A S H X S+ 0 0 29 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.920 113.6 40.5 -61.3 -41.0 40.6 12.8 50.6 77 77 A V H X S+ 0 0 8 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.927 111.0 59.4 -71.0 -43.5 41.9 16.4 50.6 78 78 A F H < S+ 0 0 3 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.867 103.1 49.8 -52.8 -47.0 38.3 17.8 50.3 79 79 A W H >< S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.914 113.9 44.5 -62.0 -46.0 37.1 16.1 53.6 80 80 A K H 3< S+ 0 0 86 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.731 101.6 68.4 -71.8 -23.0 40.0 17.3 55.7 81 81 A N T 3< S+ 0 0 0 -4,-1.8 106,-3.0 109,-0.1 2,-0.3 0.522 98.7 65.2 -72.1 -8.6 39.8 20.8 54.1 82 82 A M B < +A 186 0A 2 -3,-1.1 104,-0.2 104,-0.3 103,-0.0 -0.859 53.9 164.2-118.6 157.2 36.5 21.2 56.0 83 83 A A - 0 0 11 102,-2.2 5,-0.1 -2,-0.3 3,-0.1 -0.964 49.4 -77.5-162.1 151.5 35.4 21.4 59.6 84 84 A P > - 0 0 36 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.263 63.8 -90.9 -56.4 141.7 32.2 22.6 61.4 85 85 A K T 3 S+ 0 0 98 1,-0.3 100,-0.1 -71,-0.3 99,-0.1 -0.317 115.1 26.0 -56.3 134.6 32.0 26.4 61.6 86 86 A G T 3 S+ 0 0 66 2,-0.5 -1,-0.3 98,-0.2 4,-0.1 0.130 100.5 89.0 96.8 -20.0 33.6 27.7 64.8 87 87 A S S < S+ 0 0 83 -3,-2.2 -2,-0.2 2,-0.1 98,-0.0 0.516 96.3 26.2 -86.1 -6.5 35.9 24.7 65.0 88 88 A A S S- 0 0 15 -4,-0.3 -2,-0.5 -5,-0.1 99,-0.1 -0.940 100.7 -71.3-149.0 164.6 38.5 26.4 62.9 89 89 A P - 0 0 42 0, 0.0 99,-0.6 0, 0.0 100,-0.1 -0.230 29.1-139.9 -59.7 149.7 39.7 29.9 62.0 90 90 A E S S+ 0 0 106 97,-0.1 96,-0.1 1,-0.1 97,-0.0 0.596 88.4 28.3 -84.5 -12.6 37.5 32.0 59.8 91 91 A R S S- 0 0 128 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.965 91.0 -97.3-145.7 156.9 40.7 33.3 58.0 92 92 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.553 46.3-175.4 -75.8 140.6 44.2 32.1 57.3 93 93 A T >> + 0 0 81 -2,-0.2 4,-1.5 95,-0.1 3,-0.8 -0.755 38.3 6.4-130.8 177.1 46.9 33.3 59.7 94 94 A D H 3> S- 0 0 118 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.202 126.0 -2.5 54.0-131.7 50.7 33.3 60.3 95 95 A E H 3> S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 139.2 47.2 -56.4 -50.2 52.7 31.7 57.4 96 96 A L H <> S+ 0 0 3 -3,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.919 112.2 50.6 -60.1 -45.3 49.7 30.7 55.3 97 97 A G H X S+ 0 0 12 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.904 112.6 46.1 -59.9 -42.7 48.2 34.2 55.7 98 98 A A H X S+ 0 0 59 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.886 111.7 51.7 -67.4 -40.3 51.4 35.9 54.7 99 99 A A H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.906 109.0 49.8 -64.0 -43.0 51.9 33.6 51.7 100 100 A I H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 5,-0.4 0.898 111.2 49.9 -62.8 -40.2 48.4 34.2 50.4 101 101 A D H X S+ 0 0 85 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.867 110.6 52.0 -64.4 -36.9 49.0 38.0 50.7 102 102 A E H < S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 119.2 31.1 -67.4 -45.0 52.3 37.5 48.8 103 103 A F H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.532 134.9 25.9 -95.1 -6.9 50.9 35.6 45.8 104 104 A F H < S- 0 0 23 -4,-1.6 2,-0.4 -5,-0.2 -3,-0.2 0.463 96.1-122.2-130.7 -11.0 47.4 37.2 45.7 105 105 A G S < S+ 0 0 52 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 -0.227 84.3 3.6 95.2 -45.5 47.8 40.6 47.3 106 106 A S S > S- 0 0 36 -2,-0.4 4,-1.7 -6,-0.3 5,-0.1 -0.972 75.8-102.8-162.1 167.6 45.1 39.9 49.9 107 107 A F H > S+ 0 0 17 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.887 120.6 54.8 -64.8 -39.6 42.8 37.2 51.2 108 108 A D H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 106.4 50.8 -63.0 -36.4 39.9 38.8 49.5 109 109 A N H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 110.0 49.9 -67.8 -40.4 41.7 38.7 46.1 110 110 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.920 111.2 49.4 -63.8 -44.0 42.4 35.0 46.6 111 111 A K H X S+ 0 0 69 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.903 110.7 49.8 -61.9 -44.0 38.8 34.3 47.4 112 112 A A H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.913 114.5 43.9 -62.6 -43.9 37.5 36.2 44.4 113 113 A Q H X S+ 0 0 96 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 115.4 48.1 -67.4 -43.9 39.9 34.4 42.0 114 114 A F H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.884 113.6 48.0 -63.6 -41.0 39.2 31.0 43.6 115 115 A T H X S+ 0 0 40 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.905 110.4 50.6 -67.8 -42.3 35.4 31.7 43.4 116 116 A A H X S+ 0 0 62 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.911 111.6 48.8 -62.4 -40.9 35.6 32.8 39.8 117 117 A A H < S+ 0 0 16 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.858 112.5 49.6 -66.7 -34.7 37.5 29.6 38.9 118 118 A A H >< S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.904 115.2 39.5 -72.0 -43.9 34.9 27.5 40.8 119 119 A T H 3< S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.682 109.3 60.7 -82.5 -18.2 31.8 28.9 39.2 120 120 A G T 3< S+ 0 0 44 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.503 70.8 129.7 -89.2 -2.8 33.1 29.3 35.7 121 121 A I < - 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