==== 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 04-MAR-11 3QZB . COMPND 2 MOLECULE: PUTATIVE SUPEROXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 33.6 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 . 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 . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.9 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 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 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 1 A M 0 0 184 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 129.6 17.0 4.8 40.3 2 2 A K > - 0 0 139 1,-0.1 3,-1.9 0, 0.0 4,-0.3 -0.842 360.0-125.4-107.7 144.6 20.0 5.9 42.5 3 3 A L G > S+ 0 0 119 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.835 107.3 66.5 -56.7 -33.6 22.2 8.8 41.6 4 4 A S G > S+ 0 0 78 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.704 83.2 72.8 -74.0 -9.0 25.2 6.7 41.9 5 5 A D G < S+ 0 0 99 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.656 106.3 41.3 -65.1 -14.6 24.1 4.7 38.8 6 6 A F G < S+ 0 0 112 -3,-2.4 114,-0.9 -4,-0.3 2,-0.5 -0.014 91.1 94.8-124.2 22.4 25.1 7.9 37.0 7 7 A I E < -a 120 0A 35 -3,-1.3 2,-0.3 112,-0.1 114,-0.3 -0.982 63.8-156.6-114.5 117.4 28.3 8.8 38.8 8 8 A K E -a 121 0A 112 112,-2.4 114,-2.2 -2,-0.5 2,-0.3 -0.721 13.1-163.6-100.9 148.9 31.3 7.5 36.8 9 9 A T + 0 0 92 -2,-0.3 2,-0.3 112,-0.2 114,-0.1 -0.812 21.8 148.8-114.2 162.1 34.8 6.6 37.8 10 10 A E - 0 0 103 112,-0.4 2,-0.6 -2,-0.3 3,-0.0 -0.980 51.1 -76.5-175.1 174.0 37.7 6.0 35.5 11 11 A D >> - 0 0 63 -2,-0.3 3,-2.5 1,-0.1 4,-1.6 -0.800 32.2-144.9 -83.3 119.4 41.4 6.3 35.1 12 12 A F T 34 S+ 0 0 63 -2,-0.6 31,-0.4 1,-0.3 30,-0.3 0.731 99.6 64.7 -61.1 -20.6 42.4 9.9 34.5 13 13 A K T 34 S+ 0 0 137 1,-0.2 -1,-0.3 29,-0.1 3,-0.1 0.616 117.1 27.4 -73.3 -13.5 45.1 8.7 32.1 14 14 A K T <4 S+ 0 0 161 -3,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.537 120.8 52.8-116.7 -18.3 42.3 7.4 29.8 15 15 A E >< - 0 0 46 -4,-1.6 3,-1.4 1,-0.1 -1,-0.2 -0.963 58.3-157.2-137.9 112.2 39.4 9.7 30.6 16 16 A K T 3 S+ 0 0 71 -2,-0.4 24,-1.1 1,-0.3 25,-0.2 0.713 89.5 64.6 -58.9 -27.8 39.4 13.5 30.5 17 17 A H T 3 S+ 0 0 7 22,-0.1 -1,-0.3 23,-0.1 104,-0.1 0.602 70.9 112.3 -78.5 -9.8 36.4 13.8 32.8 18 18 A V < - 0 0 8 -3,-1.4 22,-0.5 -7,-0.1 2,-0.5 -0.422 67.2-132.0 -69.8 128.7 38.0 12.3 35.9 19 19 A P E -E 39 0B 0 0, 0.0 2,-0.5 0, 0.0 20,-0.2 -0.686 23.4-148.2 -79.5 124.0 38.5 14.9 38.7 20 20 A V E -E 38 0B 20 18,-2.7 18,-1.8 -2,-0.5 2,-0.4 -0.856 5.4-149.2-102.6 121.1 42.1 14.5 39.9 21 21 A I E -E 37 0B 12 -2,-0.5 2,-0.5 16,-0.2 16,-0.2 -0.766 10.8-171.7 -89.1 132.4 42.8 15.2 43.6 22 22 A E E +E 36 0B 83 14,-2.8 14,-2.6 -2,-0.4 103,-0.0 -0.986 30.9 133.0-120.2 116.6 46.2 16.5 44.8 23 23 A A - 0 0 22 -2,-0.5 12,-0.1 12,-0.2 -2,-0.0 -0.974 58.0 -89.2-155.8 152.6 46.5 16.5 48.6 24 24 A P - 0 0 58 0, 0.0 104,-0.1 0, 0.0 3,-0.1 -0.285 27.4-131.7 -63.3 152.2 49.2 15.3 51.1 25 25 A E S S+ 0 0 165 1,-0.2 103,-2.7 102,-0.1 2,-0.3 0.840 89.8 17.8 -69.5 -37.4 49.0 11.8 52.4 26 26 A K E +g 128 0C 121 101,-0.2 2,-0.3 80,-0.0 103,-0.2 -0.999 68.2 178.1-143.7 140.1 49.4 12.8 56.0 27 27 A V E -g 129 0C 7 101,-2.4 103,-2.5 -2,-0.3 2,-0.2 -0.909 31.7-100.1-137.4 162.3 49.0 16.1 57.8 28 28 A K > - 0 0 115 -2,-0.3 3,-1.4 101,-0.2 75,-0.3 -0.466 55.3 -82.2 -78.7 156.9 49.1 17.5 61.4 29 29 A K T 3 S- 0 0 104 1,-0.3 75,-0.2 102,-0.2 -1,-0.1 -0.376 109.9 -3.6 -62.5 127.7 46.0 18.1 63.4 30 30 A D T 3 S+ 0 0 82 73,-3.1 -1,-0.3 1,-0.2 74,-0.1 0.427 95.9 138.9 71.6 3.1 44.3 21.4 62.5 31 31 A E < - 0 0 77 -3,-1.4 72,-0.6 72,-0.3 2,-0.3 -0.440 64.1 -97.2 -77.8 153.5 47.0 22.5 60.1 32 32 A K E - F 0 102B 145 70,-0.2 2,-0.4 -2,-0.1 70,-0.2 -0.522 42.3-163.0 -72.1 131.9 46.0 24.1 56.8 33 33 A V E - F 0 101B 3 68,-2.7 68,-2.1 -2,-0.3 2,-0.5 -0.979 11.7-139.5-121.7 126.2 45.9 21.6 54.0 34 34 A Q E - F 0 100B 106 -2,-0.4 2,-0.5 66,-0.2 66,-0.2 -0.751 18.3-172.6 -84.8 125.2 45.9 22.5 50.3 35 35 A I E - F 0 99B 3 64,-3.0 64,-2.6 -2,-0.5 2,-0.5 -0.986 1.7-169.1-118.7 117.3 43.6 20.4 48.1 36 36 A V E -EF 22 98B 32 -14,-2.6 -14,-2.8 -2,-0.5 2,-0.4 -0.910 2.7-173.9-102.8 133.8 43.9 20.9 44.4 37 37 A V E +EF 21 97B 0 60,-2.6 60,-2.1 -2,-0.5 2,-0.4 -0.999 6.4 178.8-129.2 131.1 41.2 19.3 42.2 38 38 A T E -EF 20 96B 14 -18,-1.8 -18,-2.7 -2,-0.4 3,-0.4 -0.997 18.0-157.5-134.2 130.3 41.5 19.4 38.3 39 39 A V E S+E 19 0B 5 56,-2.6 6,-0.2 -2,-0.4 -22,-0.1 -0.908 88.6 27.8-100.7 138.6 39.4 18.0 35.5 40 40 A G S S+ 0 0 17 -24,-1.1 5,-0.2 -22,-0.5 -1,-0.2 0.798 79.5 152.5 84.4 30.4 41.2 17.6 32.2 41 41 A K S S+ 0 0 97 -23,-0.5 -2,-0.1 -3,-0.4 -25,-0.1 0.903 78.7 1.9 -59.8 -53.8 44.4 17.1 34.2 42 42 A E S S+ 0 0 117 -30,-0.3 -1,-0.1 1,-0.3 -29,-0.1 0.768 138.2 44.8-102.8 -44.5 46.3 14.9 31.7 43 43 A I S S- 0 0 54 -31,-0.4 -1,-0.3 -28,-0.2 -29,-0.1 -0.940 95.8-120.1-105.4 119.8 43.7 14.7 28.8 44 44 A P - 0 0 101 0, 0.0 -4,-0.2 0, 0.0 -28,-0.1 -0.177 19.5-150.1 -65.2 147.4 42.3 18.1 28.1 45 45 A H - 0 0 18 -6,-0.2 8,-0.1 -5,-0.2 -6,-0.0 -0.943 25.1-107.8-111.8 140.4 38.6 18.9 28.4 46 46 A P - 0 0 54 0, 0.0 7,-0.5 0, 0.0 2,-0.1 -0.143 20.3-162.5 -56.7 157.4 36.9 21.5 26.2 47 47 A N + 0 0 20 5,-0.2 2,-0.2 47,-0.0 5,-0.2 -0.621 38.2 135.0-141.4 77.6 35.7 24.8 27.6 48 48 A T S S- 0 0 47 3,-2.7 3,-0.1 -2,-0.1 32,-0.1 -0.743 70.3-102.8-113.9 170.7 33.3 26.2 25.1 49 49 A T S S+ 0 0 32 -2,-0.2 3,-0.1 1,-0.2 31,-0.1 0.897 123.7 42.0 -61.0 -36.5 29.9 27.8 25.4 50 50 A E S S+ 0 0 107 1,-0.2 2,-0.4 29,-0.1 -1,-0.2 0.753 124.5 28.9 -79.4 -27.0 28.3 24.5 24.3 51 51 A H S S+ 0 0 29 -3,-0.1 -3,-2.7 28,-0.1 2,-0.3 -0.935 76.2 126.7-146.6 117.5 30.5 22.0 26.3 52 52 A H - 0 0 9 -2,-0.4 64,-2.5 -5,-0.2 2,-0.5 -0.993 58.2 -94.6-164.0 156.8 32.3 22.7 29.6 53 53 A I E -B 115 0A 4 -7,-0.5 62,-0.3 -2,-0.3 23,-0.1 -0.704 32.5-168.3 -78.3 125.4 32.9 21.5 33.1 54 54 A R E - 0 0 98 60,-2.5 22,-2.5 -2,-0.5 2,-0.3 0.840 54.8 -20.4 -83.3 -40.8 30.4 23.3 35.4 55 55 A W E -BC 114 75A 28 59,-1.1 59,-2.0 20,-0.2 2,-0.4 -0.993 38.9-142.3-163.7 162.5 31.8 22.5 38.9 56 56 A I E -BC 113 74A 0 18,-2.1 18,-3.2 -2,-0.3 2,-0.3 -0.982 21.1-170.9-125.6 137.5 33.8 20.4 41.3 57 57 A K E -BC 112 73A 17 55,-2.9 55,-2.7 -2,-0.4 2,-0.4 -0.948 8.7-149.6-123.6 155.6 32.6 19.7 44.8 58 58 A V E -BC 111 72A 0 14,-2.2 13,-2.1 -2,-0.3 14,-1.4 -0.972 9.4-169.5-125.4 134.9 34.6 18.1 47.5 59 59 A F E -BC 110 70A 45 51,-2.8 51,-2.7 -2,-0.4 2,-0.4 -0.918 11.2-147.9-115.7 153.0 33.4 16.0 50.4 60 60 A F E -BC 109 69A 22 9,-2.6 9,-2.0 -2,-0.3 49,-0.2 -0.988 7.0-165.2-120.4 130.0 35.2 14.8 53.5 61 61 A Q E -B 108 0A 47 47,-2.7 47,-1.9 -2,-0.4 2,-0.3 -0.939 15.7-145.2-113.3 104.5 34.3 11.4 55.0 62 62 A P E > -B 107 0A 8 0, 0.0 3,-2.4 0, 0.0 45,-0.3 -0.550 29.7-101.4 -74.3 136.7 35.7 11.0 58.5 63 63 A D T 3 S+ 0 0 71 43,-2.2 43,-0.0 -2,-0.3 44,-0.0 -0.241 106.3 11.8 -55.3 132.8 36.8 7.5 59.4 64 64 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 43,-0.1 0.378 101.3 116.4 82.4 -2.9 34.2 5.8 61.6 65 65 A D < - 0 0 36 -3,-2.4 -1,-0.3 2,-0.1 0, 0.0 -0.715 65.8-134.1 -96.0 151.9 31.6 8.5 61.0 66 66 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.606 77.3 53.4 -74.4 -14.0 28.2 7.7 59.3 67 67 A Y - 0 0 149 -5,-0.1 2,-0.3 -7,-0.0 -2,-0.1 -0.705 67.4-125.5-122.8 167.7 28.3 10.8 57.0 68 68 A V - 0 0 71 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.839 22.5-147.3-104.7 158.0 30.0 12.9 54.4 69 69 A Y E -C 60 0A 101 -9,-2.0 -9,-2.6 -2,-0.3 2,-0.8 -0.984 18.4-123.1-125.5 129.5 30.6 16.6 54.8 70 70 A E E -C 59 0A 112 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.630 23.0-173.9 -75.6 108.6 30.6 19.1 51.9 71 71 A V E - 0 0 46 -13,-2.1 2,-0.3 -2,-0.8 -1,-0.2 0.903 62.9 -48.4 -64.8 -41.7 33.9 20.8 52.0 72 72 A G E -C 58 0A 13 -14,-1.4 -14,-2.2 -3,-0.1 2,-0.4 -0.960 39.2-123.2 178.5 164.3 32.9 23.1 49.2 73 73 A R E -C 57 0A 114 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.997 25.2-164.6-124.6 131.4 31.3 23.6 45.8 74 74 A Y E -C 56 0A 40 -18,-3.2 -18,-2.1 -2,-0.4 2,-0.4 -0.966 6.7-160.0-127.0 108.3 33.5 25.4 43.3 75 75 A E E -C 55 0A 97 -2,-0.5 2,-0.6 -20,-0.2 -20,-0.2 -0.794 12.5-157.4 -99.3 139.7 31.7 26.7 40.2 76 76 A F + 0 0 9 -22,-2.5 17,-0.1 -2,-0.4 -2,-0.0 -0.950 24.6 167.7-115.3 100.1 33.4 27.6 36.9 77 77 A N + 0 0 100 -2,-0.6 2,-0.5 17,-0.1 -1,-0.1 0.356 41.6 80.3-112.8 1.6 30.9 29.9 35.3 78 78 A A + 0 0 17 1,-0.1 15,-3.0 2,-0.1 -29,-0.0 -0.953 37.8 160.3-112.0 128.6 32.5 31.7 32.3 79 79 A H B S-H 92 0D 6 -2,-0.5 8,-0.4 13,-0.2 13,-0.2 -0.122 70.5 -80.5-140.2 37.2 32.7 29.8 29.0 80 80 A G S S+ 0 0 0 11,-2.1 9,-2.6 1,-0.2 8,-1.1 0.532 77.5 153.5 79.2 4.2 33.2 32.4 26.3 81 81 A E + 0 0 82 10,-0.2 2,-0.3 5,-0.2 -1,-0.2 -0.407 11.9 153.3 -62.9 146.0 29.5 33.5 26.1 82 82 A S > - 0 0 36 7,-0.1 3,-1.4 -2,-0.1 7,-0.1 -0.980 58.5-108.0-164.3 164.6 28.7 36.9 24.9 83 83 A V T 3 S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.806 120.2 59.2 -58.8 -36.7 26.1 39.2 23.3 84 84 A Q T 3 S- 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.641 127.6 -72.3 -73.1 -14.8 28.4 39.2 20.2 85 85 A G X - 0 0 17 -3,-1.4 3,-1.2 -5,-0.0 -1,-0.3 -0.597 57.3 -59.7 142.4 163.4 28.1 35.4 20.1 86 86 A P T 3 S+ 0 0 75 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.404 116.0 16.9 -65.8 147.1 29.1 32.1 21.7 87 87 A N T 3 S+ 0 0 54 -8,-0.4 -6,-0.2 1,-0.1 -7,-0.1 0.615 106.8 82.7 66.6 15.8 32.8 31.4 21.9 88 88 A I < + 0 0 115 -3,-1.2 -7,-0.2 -8,-1.1 -1,-0.1 0.209 62.4 118.3-127.5 16.8 33.9 35.0 21.3 89 89 A G S S- 0 0 15 -9,-2.6 -7,-0.1 -4,-0.2 -8,-0.1 -0.207 72.2-112.9 -75.6 172.6 33.5 36.4 24.9 90 90 A A S S+ 0 0 110 -9,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.567 86.4 47.2 -80.5 -16.5 36.4 37.8 26.9 91 91 A V - 0 0 90 -10,-0.2 -11,-2.1 2,-0.0 2,-0.4 -0.994 46.6-179.5-145.8 140.4 36.6 35.2 29.7 92 92 A Y B -H 79 0D 90 -2,-0.4 2,-0.6 -13,-0.2 -13,-0.2 -0.996 18.8-145.4-131.8 139.9 36.8 31.4 30.4 93 93 A T - 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