==== 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 10-AUG-05 2AMU . COMPND 2 MOLECULE: PUTATIVE SUPEROXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 33.3 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 13 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.5 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 1 1 0 2 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 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 0 A H 0 0 138 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.2 36.8 36.3 6.4 2 1 A M + 0 0 157 3,-0.0 2,-0.4 4,-0.0 3,-0.0 -0.818 360.0 171.1-105.5 96.4 35.8 35.0 9.9 3 2 A K > - 0 0 127 -2,-0.6 3,-0.8 1,-0.1 4,-0.2 -0.803 41.7-141.3-112.6 142.3 32.5 36.4 11.0 4 3 A L G > S+ 0 0 121 -2,-0.4 3,-2.1 1,-0.2 -1,-0.1 0.822 102.6 68.9 -58.9 -33.6 30.3 35.7 14.0 5 4 A S G > S+ 0 0 78 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.805 86.0 65.9 -58.2 -37.3 27.4 36.2 11.5 6 5 A D G < S+ 0 0 102 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.656 108.9 41.4 -56.3 -17.8 28.3 33.0 9.7 7 6 A F G < S+ 0 0 121 -3,-2.1 114,-0.9 -4,-0.2 2,-0.6 0.120 89.5 95.3-124.2 21.0 27.4 31.2 12.9 8 7 A I E < -a 121 0A 42 -3,-1.8 2,-0.3 112,-0.1 114,-0.2 -0.968 64.6-158.5-107.9 116.4 24.2 33.1 13.9 9 8 A K E -a 122 0A 71 112,-2.2 114,-2.0 -2,-0.6 2,-0.4 -0.649 12.6-167.6 -98.3 145.2 21.3 31.1 12.5 10 9 A T + 0 0 93 -2,-0.3 2,-0.3 112,-0.2 114,-0.1 -0.991 17.5 151.7-126.4 149.6 17.8 32.1 11.8 11 10 A E - 0 0 92 112,-0.4 2,-0.6 -2,-0.4 112,-0.0 -0.937 53.5 -75.6-154.1 173.9 14.8 29.9 11.0 12 11 A D >> - 0 0 77 -2,-0.3 4,-2.7 1,-0.1 3,-2.2 -0.769 37.2-142.5 -75.4 118.0 11.0 29.7 11.3 13 12 A F T 34 S+ 0 0 68 -2,-0.6 31,-0.4 1,-0.3 30,-0.3 0.654 101.6 66.6 -59.1 -19.1 10.3 29.1 15.0 14 13 A K T 34 S+ 0 0 100 1,-0.1 -1,-0.3 29,-0.1 3,-0.1 0.761 115.2 27.4 -65.9 -29.1 7.5 26.8 13.7 15 14 A K T <4 S+ 0 0 105 -3,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.771 122.5 54.6-100.5 -36.5 10.2 24.5 12.2 16 15 A E >< - 0 0 42 -4,-2.7 3,-1.3 1,-0.1 25,-0.2 -0.883 56.2-163.0-119.8 111.3 13.1 25.3 14.6 17 16 A K T 3 S+ 0 0 78 -2,-0.6 24,-0.8 1,-0.2 25,-0.2 0.713 89.8 64.0 -55.6 -26.8 13.0 25.0 18.5 18 17 A H T 3 S+ 0 0 7 22,-0.1 -1,-0.2 23,-0.1 104,-0.1 0.712 75.2 104.1 -79.2 -19.1 16.1 27.1 18.9 19 18 A V S < S- 0 0 5 -3,-1.3 22,-0.6 -7,-0.1 23,-0.4 -0.413 72.9-127.1 -66.3 125.9 14.7 30.4 17.4 20 19 A P E -E 40 0B 0 0, 0.0 2,-0.6 0, 0.0 20,-0.2 -0.622 22.4-144.6 -71.2 132.3 13.8 33.0 20.0 21 20 A V E -E 39 0B 13 18,-2.9 18,-1.8 -2,-0.3 2,-0.4 -0.905 8.3-149.7-106.2 119.8 10.2 34.1 19.5 22 21 A I E -E 38 0B 11 -2,-0.6 2,-0.4 16,-0.2 16,-0.2 -0.736 11.6-173.0 -85.9 131.2 9.5 37.8 20.2 23 22 A E E +E 37 0B 87 14,-3.1 14,-2.6 -2,-0.4 -2,-0.0 -0.964 29.9 133.7-121.8 111.8 6.1 38.9 21.5 24 23 A A - 0 0 19 -2,-0.4 12,-0.1 12,-0.2 2,-0.0 -0.972 59.5 -88.2-153.5 150.9 5.8 42.6 21.6 25 24 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 104,-0.1 -0.371 28.6-132.9 -66.9 153.8 3.1 45.1 20.5 26 25 A E S S+ 0 0 161 1,-0.2 103,-2.5 102,-0.1 2,-0.3 0.813 90.2 20.7 -71.3 -33.8 3.3 46.4 17.0 27 26 A K E +g 129 0C 108 101,-0.2 2,-0.3 80,-0.0 -1,-0.2 -0.996 70.0 175.8-144.3 136.7 2.9 50.0 18.0 28 27 A V E -g 130 0C 15 101,-2.6 103,-1.9 -2,-0.3 2,-0.3 -0.816 32.6 -99.8-135.0 165.7 3.4 51.8 21.4 29 28 A K E > -g 131 0C 28 -2,-0.3 3,-1.7 101,-0.2 75,-0.3 -0.677 51.0 -91.4 -87.4 145.6 3.2 55.3 22.9 30 29 A K T 3 S+ 0 0 76 101,-3.3 75,-0.2 -2,-0.3 -1,-0.1 -0.319 107.3 1.5 -55.0 129.3 6.4 57.2 23.4 31 30 A D T 3 S+ 0 0 92 73,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.442 94.8 129.8 69.3 2.7 7.8 56.6 27.0 32 31 A E S < S- 0 0 121 -3,-1.7 2,-0.5 72,-0.3 72,-0.5 -0.580 71.5 -97.3 -83.5 154.3 5.2 54.1 28.1 33 32 A K E - F 0 103B 157 -2,-0.2 2,-0.5 70,-0.1 70,-0.2 -0.623 42.6-162.2 -73.7 120.1 6.4 50.9 29.6 34 33 A V E - F 0 102B 6 68,-3.1 68,-2.4 -2,-0.5 2,-0.5 -0.933 10.0-140.0-106.6 127.6 6.3 48.2 26.9 35 34 A Q E - F 0 101B 136 -2,-0.5 2,-0.5 66,-0.2 66,-0.2 -0.779 16.9-172.3 -86.0 124.7 6.4 44.5 27.7 36 35 A I E - F 0 100B 3 64,-2.5 64,-2.6 -2,-0.5 2,-0.4 -0.980 3.4-166.4-116.0 118.6 8.6 42.3 25.4 37 36 A V E -EF 23 99B 34 -14,-2.6 -14,-3.1 -2,-0.5 2,-0.4 -0.912 4.6-173.7-106.5 131.3 8.4 38.5 26.0 38 37 A V E +EF 22 98B 0 60,-2.3 60,-2.3 -2,-0.4 2,-0.4 -0.999 5.8 179.6-125.6 129.8 11.1 36.4 24.3 39 38 A T E -EF 21 97B 22 -18,-1.8 -18,-2.9 -2,-0.4 2,-0.5 -0.999 19.8-153.7-133.1 134.2 10.8 32.6 24.4 40 39 A V E S+E 20 0B 5 56,-2.7 6,-0.3 -2,-0.4 -22,-0.1 -0.911 90.3 24.6-100.3 130.9 13.0 29.8 23.1 41 40 A G S S+ 0 0 15 -24,-0.8 -1,-0.2 -22,-0.6 5,-0.1 0.775 75.4 150.0 88.6 30.7 11.1 26.7 22.4 42 41 A K S S+ 0 0 82 -3,-0.5 -2,-0.1 -23,-0.4 -25,-0.1 0.955 82.9 10.0 -60.4 -53.1 7.7 28.5 22.0 43 42 A E S S+ 0 0 114 -30,-0.3 -1,-0.1 1,-0.3 -29,-0.1 0.874 138.7 37.3 -97.7 -44.4 6.2 25.9 19.6 44 43 A I S S- 0 0 52 -31,-0.4 -1,-0.3 -28,-0.1 -29,-0.0 -0.936 92.5-126.7-105.1 118.7 8.8 23.1 19.7 45 44 A P - 0 0 101 0, 0.0 -4,-0.2 0, 0.0 -28,-0.1 -0.299 17.1-144.5 -66.4 150.0 10.1 22.6 23.2 46 45 A H - 0 0 15 -6,-0.3 8,-0.1 -5,-0.1 -6,-0.0 -0.923 27.2 -99.8-110.9 141.3 13.8 22.6 23.7 47 46 A P - 0 0 51 0, 0.0 7,-0.4 0, 0.0 2,-0.3 -0.109 24.1-160.9 -54.9 149.7 15.5 20.4 26.4 48 47 A N + 0 0 24 5,-0.2 2,-0.3 47,-0.0 5,-0.2 -0.717 38.6 133.6-132.7 84.3 16.6 21.8 29.8 49 48 A T S S- 0 0 46 3,-2.8 32,-0.1 -2,-0.3 33,-0.1 -0.769 70.7-103.9-125.9 167.0 19.1 19.4 31.2 50 49 A T S S+ 0 0 33 -2,-0.3 3,-0.1 1,-0.2 31,-0.1 0.902 123.9 42.0 -59.3 -36.6 22.5 19.8 32.9 51 50 A E S S+ 0 0 103 1,-0.2 2,-0.4 29,-0.1 -1,-0.2 0.726 124.5 28.0 -82.0 -25.2 24.1 18.6 29.5 52 51 A H S S+ 0 0 29 28,-0.1 -3,-2.8 -3,-0.1 2,-0.3 -0.959 76.6 125.6-148.2 116.3 21.9 20.6 27.1 53 52 A H - 0 0 11 -2,-0.4 64,-2.5 -5,-0.2 2,-0.5 -0.990 59.2 -91.8-164.4 162.4 20.1 23.9 27.7 54 53 A I E -B 116 0A 4 -7,-0.4 62,-0.3 -2,-0.3 3,-0.1 -0.720 33.6-167.7 -82.6 125.1 19.5 27.4 26.5 55 54 A R E - 0 0 98 60,-2.5 22,-2.8 -2,-0.5 2,-0.3 0.863 56.6 -17.5 -83.3 -43.6 22.0 29.7 28.3 56 55 A W E -BC 115 76A 25 59,-1.1 59,-1.9 20,-0.2 2,-0.4 -0.994 41.6-140.4-160.7 162.2 20.6 33.1 27.6 57 56 A I E -BC 114 75A 0 18,-1.9 18,-3.1 -2,-0.3 2,-0.3 -0.982 22.5-167.7-123.0 138.6 18.4 35.4 25.6 58 57 A K E -BC 113 74A 26 55,-3.1 55,-2.5 -2,-0.4 2,-0.4 -0.951 6.4-152.0-125.0 143.8 19.7 38.9 24.7 59 58 A V E -BC 112 73A 0 14,-2.5 13,-1.8 -2,-0.3 14,-1.7 -0.977 10.8-172.4-120.0 133.0 17.6 41.7 23.3 60 59 A F E -BC 111 71A 43 51,-3.2 51,-3.0 -2,-0.4 2,-0.4 -0.907 11.0-150.0-116.6 149.5 18.8 44.5 21.0 61 60 A F E -BC 110 70A 21 9,-2.7 9,-2.3 -2,-0.3 49,-0.2 -0.989 4.8-166.4-119.5 132.2 17.1 47.7 19.8 62 61 A Q E -B 109 0A 42 47,-2.2 47,-2.0 -2,-0.4 2,-0.2 -0.933 17.4-144.1-115.3 102.6 17.9 49.2 16.5 63 62 A P E > -B 108 0A 9 0, 0.0 3,-2.3 0, 0.0 45,-0.3 -0.501 30.7-103.2 -70.4 133.3 16.5 52.7 16.3 64 63 A D T 3 S+ 0 0 64 43,-2.4 43,-0.1 1,-0.3 44,-0.0 -0.340 108.2 14.5 -56.3 132.6 15.3 53.5 12.7 65 64 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 43,-0.1 0.375 100.0 118.9 79.4 -3.6 17.9 55.8 11.1 66 65 A D < - 0 0 37 -3,-2.3 -1,-0.3 2,-0.1 0, 0.0 -0.703 62.9-140.3 -88.4 144.9 20.5 55.1 13.8 67 66 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.608 77.8 56.9 -73.9 -12.7 23.8 53.5 12.7 68 67 A Y - 0 0 153 -5,-0.1 2,-0.3 -7,-0.0 -2,-0.1 -0.594 69.9-129.1-121.2 169.8 24.0 51.3 15.8 69 68 A V - 0 0 72 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.876 24.2-146.6-109.2 154.1 22.2 48.6 17.8 70 69 A Y E -C 61 0A 104 -9,-2.3 -9,-2.7 -2,-0.3 2,-1.0 -0.969 17.2-121.5-124.2 133.1 21.8 49.0 21.6 71 70 A E E -C 60 0A 117 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.692 24.5-175.8 -77.3 105.8 21.8 46.2 24.0 72 71 A V E - 0 0 48 -13,-1.8 2,-0.3 -2,-1.0 -12,-0.2 0.906 62.2 -53.7 -65.2 -46.1 18.5 46.3 25.8 73 72 A G E -C 59 0A 12 -14,-1.7 -14,-2.5 -3,-0.1 2,-0.4 -0.958 36.8-118.8 179.0 169.7 19.6 43.4 28.0 74 73 A R E -C 58 0A 105 -2,-0.3 2,-0.6 -16,-0.2 -16,-0.2 -0.997 23.4-164.2-123.8 130.6 21.0 40.0 28.6 75 74 A Y E -C 57 0A 42 -18,-3.1 -18,-1.9 -2,-0.4 2,-0.3 -0.946 9.0-159.6-126.2 106.6 18.9 37.5 30.5 76 75 A E E -C 56 0A 99 -2,-0.6 2,-0.6 -20,-0.2 -20,-0.2 -0.720 10.2-157.3 -98.1 134.5 20.8 34.5 31.7 77 76 A F + 0 0 8 -22,-2.8 17,-0.1 -2,-0.3 -2,-0.0 -0.937 24.2 167.3-110.9 106.9 19.1 31.2 32.6 78 77 A N + 0 0 100 -2,-0.6 2,-0.5 15,-0.1 -1,-0.1 0.415 42.2 77.4-115.5 -1.4 21.5 29.6 35.0 79 78 A A + 0 0 17 1,-0.1 15,-3.0 2,-0.1 -29,-0.0 -0.946 38.2 158.5-114.0 126.7 19.9 26.6 36.8 80 79 A H B S-H 93 0D 6 -2,-0.5 8,-0.4 13,-0.2 13,-0.2 -0.159 72.6 -78.0-142.1 43.6 19.6 23.3 34.9 81 80 A G S S+ 0 0 1 11,-1.9 9,-2.9 1,-0.2 8,-1.1 0.567 74.9 157.9 73.7 10.6 19.3 20.6 37.6 82 81 A E + 0 0 84 6,-0.2 2,-0.3 5,-0.2 9,-0.3 -0.397 12.6 163.9 -58.9 141.6 23.0 20.4 38.5 83 82 A S > - 0 0 46 3,-0.2 3,-1.3 7,-0.1 7,-0.1 -0.992 55.7-116.2-155.5 158.2 23.7 19.0 41.9 84 83 A V T 3 S+ 0 0 142 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.749 119.5 62.2 -60.9 -23.8 26.4 17.5 44.1 85 84 A Q T 3 S- 0 0 143 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.658 126.0 -81.3 -76.3 -15.6 24.2 14.4 43.9 86 85 A G X - 0 0 19 -3,-1.3 3,-1.3 -5,-0.0 -1,-0.3 -0.626 63.4 -42.0 135.6 170.0 24.7 14.3 40.1 87 86 A P T 3 S+ 0 0 73 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.362 122.2 10.7 -67.1 146.0 23.5 15.9 36.9 88 87 A N T 3 S+ 0 0 57 -8,-0.4 -6,-0.2 1,-0.1 -7,-0.1 0.623 100.0 100.3 59.8 20.3 19.7 16.5 36.6 89 88 A I < + 0 0 106 -3,-1.3 -7,-0.2 -8,-1.1 -8,-0.1 0.418 58.6 116.0-104.7 -7.0 19.1 15.6 40.3 90 89 A G S S- 0 0 19 -9,-2.9 -7,-0.1 -4,-0.3 -8,-0.1 0.022 71.2-123.4 -66.9 169.8 18.9 19.3 41.3 91 90 A A S S+ 0 0 110 -9,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.597 83.8 46.3 -92.5 -13.2 15.9 21.3 42.7 92 91 A V - 0 0 87 -10,-0.2 -11,-1.9 2,-0.0 2,-0.4 -0.990 48.4-175.6-148.6 137.7 15.6 24.1 40.1 93 92 A Y B -H 80 0D 87 -2,-0.3 2,-0.6 -13,-0.2 -13,-0.2 -0.997 19.1-144.4-131.8 132.9 15.5 24.7 36.3 94 93 A T - 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