==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-AUG-98 1BS3 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII SUBSP . AUTHOR M.SCHMIDT . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 71.9 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 . 18 4.5 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 . 10 2.5 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 0 118 0, 0.0 3,-0.0 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 158.0 44.1 -3.2 49.0 2 2 A V + 0 0 102 1,-0.1 2,-0.4 38,-0.1 38,-0.0 0.946 360.0 38.5 -70.0 -47.9 46.4 -0.4 47.8 3 3 A Y S S- 0 0 53 33,-0.2 2,-0.3 34,-0.0 -1,-0.1 -0.831 70.9-172.7-108.6 141.7 43.8 2.3 48.2 4 4 A T - 0 0 97 -2,-0.4 29,-0.0 -3,-0.0 -2,-0.0 -0.965 30.4-108.8-133.6 151.0 41.3 2.5 51.0 5 5 A L - 0 0 50 -2,-0.3 2,-0.1 28,-0.0 28,-0.1 -0.659 35.0-140.2 -79.9 116.9 38.3 4.8 51.7 6 6 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.501 18.3-118.4 -76.2 148.9 39.2 7.2 54.5 7 7 A E - 0 0 128 -2,-0.1 72,-0.0 1,-0.1 0, 0.0 -0.541 35.1 -95.2 -83.6 155.3 36.4 7.9 57.1 8 8 A L - 0 0 21 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.459 24.2-133.1 -67.7 142.6 35.1 11.5 57.5 9 9 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.293 88.8 28.4 -80.4 12.7 36.8 13.4 60.3 10 10 A Y S S- 0 0 31 73,-0.1 -2,-0.1 5,-0.0 5,-0.1 -0.965 101.1 -71.8-160.4 167.2 33.3 14.5 61.5 11 11 A D > - 0 0 101 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.284 49.0-110.1 -64.6 153.4 29.7 13.4 61.5 12 12 A Y T 3 S+ 0 0 48 1,-0.3 3,-0.3 2,-0.1 12,-0.3 0.758 119.5 43.1 -56.9 -28.5 27.8 13.4 58.2 13 13 A S T > S+ 0 0 50 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.318 83.0 102.5-102.3 10.1 25.7 16.4 59.3 14 14 A A T < S+ 0 0 28 -3,-1.8 71,-0.3 1,-0.3 -1,-0.2 0.727 78.3 54.8 -64.1 -24.0 28.5 18.3 61.0 15 15 A L T >> S+ 0 0 0 -3,-0.3 4,-1.2 -4,-0.3 3,-1.0 0.477 91.1 153.0 -91.6 -2.3 28.7 20.7 58.0 16 16 A E T <4 + 0 0 97 -3,-1.4 69,-0.2 1,-0.3 4,-0.1 -0.358 50.0 28.5 -68.0 154.2 25.0 21.8 58.1 17 17 A P T 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.997 127.5 47.0 -81.1 -0.3 23.4 24.1 57.4 18 18 A Y T <4 S+ 0 0 51 -3,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.870 127.0 18.4 -68.9 -40.8 26.0 24.9 54.7 19 19 A I S < S- 0 0 5 -4,-1.2 -1,-0.3 162,-0.1 -4,-0.2 -0.972 89.0-124.5-134.8 117.4 26.3 21.3 53.3 20 20 A S > - 0 0 19 -2,-0.4 4,-2.1 -3,-0.2 3,-0.3 -0.226 10.5-129.6 -62.6 148.7 23.6 18.8 54.0 21 21 A G H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.756 107.6 65.4 -67.5 -25.5 24.3 15.5 55.6 22 22 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 106.2 41.3 -62.3 -44.5 22.3 13.8 52.8 23 23 A I H > S+ 0 0 3 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.944 112.6 54.5 -68.8 -45.8 24.9 15.0 50.3 24 24 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 -12,-0.3 5,-0.4 0.875 109.8 48.5 -56.0 -39.1 27.8 14.1 52.6 25 25 A E H X S+ 0 0 103 -4,-2.4 4,-2.2 2,-0.2 5,-0.5 0.950 116.9 39.0 -66.7 -53.1 26.5 10.6 53.0 26 26 A L H X>S+ 0 0 32 -4,-2.0 4,-2.0 3,-0.2 5,-1.9 0.940 117.2 51.6 -61.3 -48.4 26.0 9.9 49.2 27 27 A H H <>S+ 0 0 2 -4,-3.3 5,-2.3 3,-0.2 -2,-0.2 0.887 121.3 29.6 -57.4 -46.3 29.2 11.7 48.3 28 28 A H H <>S+ 0 0 0 -4,-2.1 5,-0.8 -5,-0.3 -2,-0.2 0.948 125.8 40.1 -82.4 -53.4 31.4 9.9 50.7 29 29 A D H <5S+ 0 0 50 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.770 132.9 19.7 -68.7 -30.0 29.8 6.4 51.0 30 30 A K T X5S+ 0 0 90 -4,-2.0 4,-1.7 -5,-0.5 -3,-0.2 0.844 128.4 36.0-105.8 -60.1 28.9 6.1 47.4 31 31 A H H >S+ 0 0 9 -4,-1.8 5,-2.2 2,-0.2 4,-0.9 0.903 108.8 46.2 -63.4 -43.8 48.6 -7.0 31.7 50 50 A R H <5S+ 0 0 155 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.899 111.2 53.2 -66.6 -40.5 52.3 -7.2 32.7 51 51 A D H <5S+ 0 0 140 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.4 32.7 -60.4 -45.9 51.9 -10.9 33.7 52 52 A K H <5S- 0 0 141 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.447 104.5-125.2 -91.1 -3.1 50.4 -11.9 30.3 53 53 A A T <5 + 0 0 78 -4,-0.9 2,-0.6 -3,-0.3 -3,-0.2 0.895 67.1 137.3 58.0 39.1 52.4 -9.3 28.3 54 54 A D < + 0 0 104 -5,-2.2 3,-0.3 -6,-0.2 -1,-0.2 -0.887 20.0 161.3-121.3 99.1 49.1 -8.0 27.0 55 55 A F > + 0 0 107 -2,-0.6 3,-1.8 1,-0.2 4,-0.2 0.036 33.1 122.8-105.8 27.5 48.9 -4.3 26.9 56 56 A G T 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.834 79.7 41.5 -57.4 -35.9 46.0 -4.0 24.4 57 57 A A T >> S+ 0 0 47 -3,-0.3 4,-2.7 1,-0.2 3,-0.8 0.201 77.0 121.4 -98.5 16.7 43.8 -2.0 26.9 58 58 A I H <> S+ 0 0 52 -3,-1.8 4,-2.5 1,-0.3 5,-0.2 0.840 73.0 52.6 -48.8 -42.3 46.6 0.2 28.1 59 59 A N H 3> S+ 0 0 143 -3,-0.3 4,-1.2 -4,-0.2 -1,-0.3 0.889 113.2 44.5 -63.1 -39.1 44.8 3.4 27.0 60 60 A K H <> S+ 0 0 123 -3,-0.8 4,-2.7 2,-0.2 3,-0.3 0.953 114.4 48.7 -68.4 -49.5 41.7 2.4 28.9 61 61 A L H X S+ 0 0 11 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.835 109.5 51.7 -61.4 -36.8 43.6 1.3 32.0 62 62 A E H X S+ 0 0 101 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.827 113.0 45.1 -71.4 -32.4 45.7 4.5 32.2 63 63 A K H X S+ 0 0 61 -4,-1.2 4,-3.2 -3,-0.3 5,-0.3 0.894 112.2 51.7 -76.2 -40.5 42.6 6.7 32.0 64 64 A D H X S+ 0 0 27 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.908 113.5 45.9 -59.3 -43.5 40.8 4.5 34.6 65 65 A L H X S+ 0 0 27 -4,-2.2 4,-2.6 -5,-0.2 5,-0.4 0.949 115.8 44.4 -65.3 -49.6 43.8 4.8 36.9 66 66 A A H X S+ 0 0 43 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.926 117.0 45.5 -61.6 -47.0 44.1 8.6 36.3 67 67 A F H X S+ 0 0 15 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.946 120.3 37.4 -61.0 -55.7 40.3 9.3 36.7 68 68 A N H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.3 -29,-0.2 0.890 118.8 47.3 -67.6 -42.8 39.7 7.1 39.8 69 69 A L H X S+ 0 0 48 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.902 113.0 50.0 -67.4 -39.3 43.0 7.9 41.5 70 70 A A H X S+ 0 0 18 -4,-2.1 4,-2.9 -5,-0.4 5,-0.2 0.903 111.0 50.3 -63.9 -38.7 42.5 11.6 40.9 71 71 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.901 111.5 47.8 -64.9 -39.7 39.0 11.2 42.3 72 72 A H H X S+ 0 0 21 -4,-2.3 4,-2.2 -37,-0.2 -2,-0.2 0.933 115.2 44.9 -66.2 -46.3 40.3 9.5 45.4 73 73 A V H X S+ 0 0 61 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.939 113.6 49.4 -62.1 -50.8 43.0 12.1 45.9 74 74 A N H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.887 115.3 42.9 -58.2 -45.2 40.7 15.1 45.3 75 75 A H H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.875 108.8 57.2 -72.7 -35.9 38.0 13.8 47.7 76 76 A S H X S+ 0 0 32 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.912 113.9 40.9 -60.3 -40.1 40.5 12.7 50.4 77 77 A V H X S+ 0 0 10 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.914 110.6 59.1 -71.6 -43.6 41.8 16.3 50.5 78 78 A F H < S+ 0 0 3 -4,-2.2 4,-0.3 1,-0.2 3,-0.2 0.888 102.9 51.3 -52.6 -47.9 38.2 17.7 50.2 79 79 A W H >< S+ 0 0 3 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.914 113.5 43.6 -59.1 -46.6 37.0 16.0 53.4 80 80 A K H 3< S+ 0 0 104 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.700 101.2 68.9 -74.4 -18.3 39.9 17.3 55.5 81 81 A N T 3< S+ 0 0 0 -4,-1.6 106,-3.0 -3,-0.2 2,-0.3 0.506 99.0 66.5 -75.0 -9.2 39.6 20.8 54.0 82 82 A M B < +A 186 0A 2 -3,-1.1 104,-0.2 -4,-0.3 103,-0.0 -0.850 54.1 162.2-117.5 157.7 36.3 21.2 55.8 83 83 A A - 0 0 9 102,-2.1 5,-0.1 -2,-0.3 3,-0.1 -0.968 50.3 -73.4-163.4 154.2 35.2 21.4 59.4 84 84 A P > - 0 0 38 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.216 64.3 -93.9 -54.7 140.8 32.1 22.5 61.3 85 85 A K T 3 S+ 0 0 100 -71,-0.3 100,-0.1 1,-0.3 99,-0.1 -0.428 115.6 27.0 -57.7 132.0 31.8 26.3 61.3 86 86 A G T 3 S+ 0 0 66 2,-0.5 -1,-0.3 98,-0.3 4,-0.1 0.148 98.7 89.3 100.3 -18.8 33.4 27.6 64.5 87 87 A S S < S+ 0 0 81 -3,-2.2 -2,-0.1 2,-0.1 98,-0.0 0.507 96.5 26.3 -87.5 -6.7 35.8 24.6 64.8 88 88 A A S S- 0 0 14 -4,-0.3 -2,-0.5 -5,-0.1 98,-0.1 -0.959 100.7 -73.9-149.5 162.2 38.5 26.3 62.8 89 89 A P - 0 0 43 0, 0.0 99,-0.7 0, 0.0 100,-0.1 -0.205 29.3-141.5 -58.6 149.8 39.6 29.9 61.9 90 90 A E S S+ 0 0 88 1,-0.1 96,-0.1 97,-0.1 97,-0.0 0.550 88.0 35.6 -89.1 -8.9 37.4 31.8 59.4 91 91 A R S S- 0 0 128 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.995 91.0-105.3-144.0 144.7 40.5 33.3 57.8 92 92 A P + 0 0 16 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.478 44.7 178.9 -70.9 138.2 44.0 32.0 57.1 93 93 A T >> + 0 0 81 -2,-0.2 4,-1.6 95,-0.1 3,-0.8 -0.684 37.4 18.6-129.7-176.6 46.7 33.3 59.4 94 94 A D H 3> S- 0 0 118 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.230 125.0 -7.8 56.0-134.4 50.5 33.1 60.1 95 95 A E H 3> S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 140.1 49.1 -61.1 -43.8 52.6 31.7 57.3 96 96 A L H <> S+ 0 0 4 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.933 111.1 50.0 -63.3 -45.8 49.6 30.7 55.1 97 97 A G H X S+ 0 0 10 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.900 112.4 47.5 -59.3 -41.7 48.0 34.1 55.5 98 98 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.895 111.4 51.1 -66.7 -40.7 51.3 35.8 54.5 99 99 A A H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 39,-0.2 0.890 108.6 51.0 -64.8 -40.4 51.7 33.5 51.5 100 100 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.4 0.910 111.0 48.5 -64.9 -40.3 48.2 34.2 50.3 101 101 A D H X S+ 0 0 83 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.868 111.9 51.3 -65.9 -36.7 48.8 37.9 50.5 102 102 A E H < S+ 0 0 141 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 119.0 32.7 -67.8 -44.3 52.1 37.5 48.7 103 103 A F H < S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.586 135.2 23.8 -92.7 -10.4 50.7 35.5 45.7 104 104 A F H < S- 0 0 22 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.430 97.5-119.4-130.6 -7.3 47.2 37.0 45.4 105 105 A G S < S+ 0 0 52 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 -0.188 85.3 1.4 93.4 -42.1 47.6 40.5 47.0 106 106 A S S > S- 0 0 35 -6,-0.3 4,-1.9 -2,-0.3 5,-0.1 -0.976 75.6-100.4-166.4 168.2 45.0 39.7 49.7 107 107 A F H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.890 121.6 53.2 -64.3 -40.8 42.7 37.0 51.1 108 108 A D H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 107.7 49.8 -63.2 -39.6 39.8 38.7 49.3 109 109 A N H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.6 49.2 -65.3 -40.8 41.6 38.7 45.9 110 110 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.922 111.5 49.5 -63.5 -44.6 42.3 35.0 46.4 111 111 A K H X S+ 0 0 65 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.907 110.7 49.7 -61.1 -43.8 38.7 34.3 47.3 112 112 A A H X S+ 0 0 62 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.916 114.3 44.1 -62.6 -44.9 37.5 36.2 44.2 113 113 A Q H X S+ 0 0 98 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 114.9 48.8 -66.5 -44.2 39.8 34.3 41.9 114 114 A F H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.876 113.0 47.9 -63.2 -40.6 39.1 30.9 43.5 115 115 A T H X S+ 0 0 43 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.919 110.3 51.0 -68.1 -43.0 35.3 31.6 43.3 116 116 A A H X S+ 0 0 61 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.906 111.0 49.2 -61.2 -41.1 35.5 32.7 39.6 117 117 A A H < S+ 0 0 16 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.880 112.7 49.2 -65.9 -36.0 37.4 29.5 38.8 118 118 A A H >< S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.911 115.3 39.6 -70.8 -44.6 34.8 27.4 40.7 119 119 A T H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.716 109.1 61.0 -81.2 -20.5 31.7 28.9 39.1 120 120 A G T 3< S+ 0 0 44 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.519 70.4 128.7 -86.6 -4.0 33.0 29.2 35.5 121 121 A I < - 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