==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-09 3KH3 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.M.GAZDAG,W.BLANKENFELDT . 1836 12 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 80677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1132 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 607 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 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 . 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 . 130 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 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 RESIDUES PER ALPHA HELIX . 11 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 . 36 11 1 13 23 3 19 11 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 1 0 6 17 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 2 A A 0 0 108 0, 0.0 2,-0.3 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 55.8 36.5 -35.4 -12.2 2 3 A T E -A 22 0A 56 20,-1.9 20,-2.2 151,-0.0 2,-0.3 -0.708 360.0-169.9 -81.3 138.5 34.5 -35.8 -15.4 3 4 A K E -A 21 0A 82 149,-0.4 149,-1.9 -2,-0.3 2,-0.3 -0.954 8.7-178.0-130.5 148.0 30.7 -36.5 -14.9 4 5 A A E -AB 20 151A 2 16,-2.0 16,-2.9 -2,-0.3 2,-0.3 -0.916 4.7-164.1-138.1 166.5 27.9 -37.4 -17.3 5 6 A V E -AB 19 150A 1 145,-2.8 145,-3.0 -2,-0.3 2,-0.3 -0.987 2.2-164.3-151.1 155.1 24.2 -38.1 -17.0 6 7 A C E -A 18 0A 2 12,-2.0 12,-2.5 -2,-0.3 2,-0.8 -0.962 13.4-147.7-148.7 125.9 21.4 -39.7 -19.0 7 8 A V E -A 17 0A 33 141,-0.4 2,-0.4 -2,-0.3 10,-0.2 -0.823 21.3-150.2 -94.5 106.5 17.6 -39.5 -18.8 8 9 A L E +A 16 0A 0 8,-1.8 8,-2.1 -2,-0.8 2,-0.3 -0.643 28.9 157.5 -78.7 126.7 16.2 -42.9 -19.9 9 10 A K B +E 146 0B 122 137,-2.5 137,-3.3 -2,-0.4 2,-0.3 -0.964 8.2 160.9-146.2 160.8 12.7 -42.6 -21.6 10 11 A G - 0 0 38 2,-0.4 135,-0.2 4,-0.4 134,-0.1 -0.945 52.0 -74.6-164.2-174.7 10.6 -44.6 -23.9 11 12 A D S S+ 0 0 180 133,-0.4 134,-0.1 -2,-0.3 133,-0.1 0.796 108.8 39.2 -64.4 -32.4 7.2 -45.5 -25.5 12 13 A G S S- 0 0 45 132,-0.6 -2,-0.4 2,-0.1 132,-0.0 -0.206 109.9 -68.2-108.2-159.9 6.0 -47.4 -22.4 13 14 A P S S+ 0 0 104 0, 0.0 2,-0.2 0, 0.0 25,-0.1 0.585 90.8 110.9 -74.0 -14.2 6.1 -47.0 -18.6 14 15 A V + 0 0 7 23,-0.2 -4,-0.4 130,-0.1 2,-0.3 -0.465 40.7 144.3 -68.2 125.7 9.8 -47.6 -18.3 15 16 A Q E + C 0 36A 76 21,-2.1 21,-3.1 -2,-0.2 2,-0.3 -0.980 9.7 136.8-158.6 159.2 11.8 -44.5 -17.3 16 17 A G E -AC 8 35A 14 -8,-2.1 -8,-1.8 -2,-0.3 2,-0.4 -0.989 40.1-105.6 176.9 176.3 14.7 -43.4 -15.2 17 18 A I E -AC 7 34A 57 17,-1.7 17,-1.8 -2,-0.3 2,-0.4 -0.998 25.9-170.3-129.1 131.0 17.9 -41.4 -14.6 18 19 A I E -AC 6 33A 0 -12,-2.5 -12,-2.0 -2,-0.4 2,-0.3 -0.989 7.4-154.5-127.6 129.4 21.4 -42.8 -14.7 19 20 A N E -AC 5 32A 45 13,-4.1 13,-2.4 -2,-0.4 2,-0.3 -0.718 2.3-158.9-101.3 150.3 24.6 -41.0 -13.6 20 21 A F E +AC 4 31A 2 -16,-2.9 -16,-2.0 -2,-0.3 2,-0.3 -0.952 9.8 177.7-124.0 145.4 28.2 -41.4 -14.7 21 22 A E E +AC 3 30A 56 9,-1.8 9,-2.4 -2,-0.3 2,-0.6 -0.820 8.2 180.0-152.9 111.0 31.4 -40.4 -12.9 22 23 A Q E -AC 2 29A 1 -20,-2.2 -20,-1.9 -2,-0.3 7,-0.2 -0.925 6.8-170.2-110.1 107.0 35.0 -40.9 -14.0 23 24 A K S S+ 0 0 150 -2,-0.6 2,-0.4 5,-0.6 -1,-0.2 0.873 74.0 28.4 -65.6 -37.6 37.4 -39.5 -11.4 24 25 A E S > S- 0 0 128 4,-0.4 3,-3.3 -23,-0.1 -1,-0.2 -0.991 75.9-126.7-136.4 136.8 40.5 -39.9 -13.5 25 26 A S T 3 S+ 0 0 91 -2,-0.4 82,-0.1 1,-0.3 -1,-0.1 0.768 114.6 39.3 -48.6 -38.3 40.9 -40.0 -17.3 26 27 A N T 3 S+ 0 0 142 79,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.390 109.3 87.8 -89.6 1.9 42.7 -43.3 -17.2 27 28 A G S < S- 0 0 16 -3,-3.3 2,-0.1 1,-0.2 -5,-0.0 -0.236 82.0 -74.3-105.8-176.7 40.4 -44.8 -14.5 28 29 A P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -5,-0.6 -0.337 38.2-126.6 -79.2 161.2 37.2 -46.6 -14.1 29 30 A V E -CD 22 101A 0 72,-3.0 72,-2.0 75,-0.2 2,-0.4 -0.928 13.1-145.8-111.0 116.0 33.7 -45.1 -14.5 30 31 A K E -CD 21 100A 102 -9,-2.4 -9,-1.8 -2,-0.6 2,-0.5 -0.669 15.8-165.0 -77.8 132.1 31.1 -45.4 -11.7 31 32 A V E +CD 20 99A 1 68,-2.4 68,-2.2 -2,-0.4 2,-0.3 -0.977 19.9 152.6-119.0 123.8 27.6 -45.8 -13.1 32 33 A W E +CD 19 98A 102 -13,-2.4 -13,-4.1 -2,-0.5 2,-0.3 -0.997 6.6 96.9-151.2 160.3 24.6 -45.3 -10.8 33 34 A G E -CD 18 97A 15 64,-2.0 64,-0.9 -2,-0.3 2,-0.4 -0.987 56.7 -74.4 159.5-161.1 21.0 -44.3 -10.6 34 35 A S E -CD 17 96A 52 -17,-1.8 -17,-1.7 -2,-0.3 2,-0.4 -0.968 28.6-173.7-142.0 119.2 17.4 -45.6 -10.5 35 36 A I E -CD 16 95A 0 60,-2.2 60,-3.5 -2,-0.4 2,-0.3 -0.897 15.0-176.1-107.2 142.7 15.2 -47.0 -13.3 36 37 A K E +C 15 0A 109 -21,-3.1 -21,-2.1 -2,-0.4 58,-0.2 -0.843 52.1 55.2-136.9 170.3 11.6 -47.8 -12.8 37 38 A G S S+ 0 0 35 55,-0.3 2,-0.3 1,-0.3 -23,-0.2 0.628 76.7 148.1 80.2 17.8 8.5 -49.3 -14.5 38 39 A L - 0 0 7 55,-2.2 -1,-0.3 -3,-0.2 2,-0.2 -0.597 55.9-111.0 -92.8 143.5 10.5 -52.5 -15.1 39 40 A T - 0 0 87 -2,-0.3 50,-0.2 82,-0.1 -1,-0.1 -0.469 55.0 -88.9 -65.0 136.4 9.3 -56.1 -15.2 40 41 A E S S+ 0 0 126 51,-0.2 2,-0.3 -2,-0.2 50,-0.2 -0.221 90.9 25.6 -56.6 135.0 10.6 -57.9 -12.2 41 42 A G E S-F 89 0B 25 48,-2.3 48,-3.0 -3,-0.1 2,-0.1 -0.769 99.4 -4.7 118.5-159.1 14.0 -59.5 -12.7 42 43 A L E -F 88 0B 96 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.429 52.9-172.4 -76.6 144.8 17.1 -59.1 -14.9 43 44 A H E -F 87 0B 1 44,-1.9 44,-2.9 -2,-0.1 80,-0.3 -0.999 26.5-114.3-138.6 136.9 17.4 -56.6 -17.7 44 45 A G E -F 86 0B 0 78,-2.3 76,-2.2 -2,-0.4 2,-0.3 -0.309 31.0-169.0 -62.9 149.4 20.0 -56.0 -20.4 45 46 A F E + G 0 119B 0 40,-2.1 39,-0.8 74,-0.2 2,-0.3 -0.822 16.2 154.3-153.8 99.9 21.8 -52.8 -20.1 46 47 A H E -FG 83 118B 0 72,-1.9 72,-2.0 -2,-0.3 2,-0.6 -0.900 42.9-123.3-136.0 155.9 24.1 -51.4 -22.8 47 48 A V E - G 0 117B 0 35,-2.7 17,-2.6 -2,-0.3 70,-0.2 -0.905 36.3-153.2 -94.7 120.5 25.7 -48.4 -24.4 48 49 A H E -HG 63 116B 1 68,-3.3 68,-0.9 -2,-0.6 15,-0.3 -0.557 20.7-109.8 -95.4 163.7 24.8 -48.2 -28.1 49 50 A E S S+ 0 0 68 13,-2.9 2,-0.3 -2,-0.2 12,-0.2 0.890 89.3 52.2 -61.5 -52.1 26.7 -46.6 -30.9 50 51 A F - 0 0 15 10,-2.6 2,-0.5 12,-0.2 66,-0.2 -0.711 59.3-147.6-103.1 139.0 24.6 -43.6 -31.9 51 52 A G + 0 0 2 254,-2.0 2,-0.6 63,-0.5 253,-0.3 -0.177 60.6 132.4 -83.2 41.0 23.1 -40.7 -29.9 52 53 A D + 0 0 29 -2,-0.5 -2,-0.1 7,-0.2 9,-0.1 -0.848 26.4 165.3-104.9 122.4 20.3 -40.7 -32.5 53 54 A N > + 0 0 52 -2,-0.6 3,-1.7 6,-0.2 -1,-0.1 0.175 40.4 118.2-117.4 13.3 16.7 -40.6 -31.2 54 55 A T T 3 S+ 0 0 70 1,-0.3 2,-0.1 3,-0.1 3,-0.1 0.912 89.2 22.4 -44.7 -65.1 15.1 -39.8 -34.5 55 56 A A T > S- 0 0 69 1,-0.3 3,-0.7 -3,-0.1 -1,-0.3 -0.360 124.9 -93.8-102.3 47.7 13.0 -42.9 -34.9 56 57 A G T < S- 0 0 30 -3,-1.7 3,-0.5 1,-0.2 -1,-0.3 -0.478 79.9 -27.8 82.3-149.1 12.9 -43.7 -31.2 57 58 A a T > S+ 0 0 18 1,-0.2 3,-1.3 86,-0.2 -1,-0.2 0.729 128.0 73.2 -73.6 -23.6 15.4 -46.0 -29.5 58 59 A T G X S+ 0 0 110 -3,-0.7 3,-1.2 1,-0.3 -1,-0.2 0.773 86.1 64.6 -61.7 -30.1 15.9 -48.0 -32.7 59 60 A S G 3 S+ 0 0 24 -3,-0.5 -1,-0.3 1,-0.2 -7,-0.2 0.698 80.0 82.0 -65.1 -23.5 17.9 -45.2 -34.2 60 61 A A G < S- 0 0 0 -3,-1.3 -10,-2.6 -4,-0.2 -1,-0.2 0.644 87.8-152.8 -58.5 -17.3 20.6 -45.7 -31.6 61 62 A G < - 0 0 17 -3,-1.2 -1,-0.2 -12,-0.2 3,-0.1 -0.322 34.4 -25.4 75.5-156.6 22.0 -48.5 -33.7 62 63 A P S S- 0 0 64 0, 0.0 -13,-2.9 0, 0.0 -12,-0.2 -0.119 85.7 -57.7 -86.6-177.9 23.9 -51.5 -32.3 63 64 A H B -H 48 0B 13 -15,-0.3 -15,-0.3 73,-0.2 2,-0.3 -0.357 67.5 -97.1 -58.3 134.6 26.0 -52.1 -29.3 64 65 A F + 0 0 5 -17,-2.6 18,-2.4 52,-0.2 17,-0.3 -0.384 59.5 161.3 -62.1 118.0 28.9 -49.6 -29.1 65 66 A N > + 0 0 46 -2,-0.3 3,-1.0 15,-0.2 -1,-0.1 -0.518 14.4 153.2-147.5 68.9 31.8 -51.7 -30.5 66 67 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.747 77.4 57.7 -77.2 -24.4 34.8 -49.7 -31.8 67 68 A L T 3 S- 0 0 73 2,-0.0 -2,-0.0 0, 0.0 13,-0.0 0.261 108.0-124.2 -90.3 11.1 37.3 -52.5 -31.2 68 69 A S < + 0 0 105 -3,-1.0 2,-0.1 1,-0.1 12,-0.1 0.849 59.2 145.1 55.4 45.7 35.2 -54.8 -33.6 69 70 A R - 0 0 98 10,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.434 50.1 -91.9-107.1 178.7 34.7 -57.6 -31.1 70 71 A K - 0 0 64 -2,-0.1 66,-0.2 1,-0.1 -1,-0.1 -0.532 49.9 -87.8 -88.2 158.3 32.0 -60.1 -30.2 71 72 A H + 0 0 9 64,-3.0 2,-0.3 8,-0.2 -1,-0.1 -0.219 60.3 143.5 -63.7 153.2 29.2 -59.6 -27.6 72 73 A G - 0 0 1 64,-0.1 13,-0.3 8,-0.1 55,-0.3 -0.980 48.8 -69.2-170.4-178.2 29.9 -60.6 -24.0 73 74 A G - 0 0 3 53,-0.8 3,-0.3 -2,-0.3 10,-0.1 -0.467 50.6-108.7 -81.0 161.1 29.5 -59.9 -20.3 74 75 A P S S+ 0 0 37 0, 0.0 28,-0.1 0, 0.0 -1,-0.1 0.880 119.8 49.3 -63.0 -37.7 31.2 -56.9 -18.7 75 76 A K S S+ 0 0 204 3,-0.0 4,-0.1 26,-0.0 9,-0.0 0.782 92.5 97.1 -69.3 -30.3 33.8 -59.0 -16.9 76 77 A D - 0 0 62 -3,-0.3 3,-0.1 1,-0.1 -4,-0.1 -0.283 70.0-145.7 -56.4 143.0 34.5 -60.9 -20.1 77 78 A E S S+ 0 0 170 1,-0.2 2,-1.6 2,-0.0 -1,-0.1 0.934 94.2 65.4 -72.6 -51.3 37.6 -59.7 -22.0 78 79 A E S S+ 0 0 93 -7,-0.1 2,-0.3 -9,-0.0 -1,-0.2 -0.626 84.2 118.4 -72.8 88.3 36.0 -60.5 -25.3 79 80 A R S S- 0 0 8 -2,-1.6 2,-0.3 -7,-0.1 -8,-0.2 -0.930 70.0 -96.2-143.1 165.2 33.1 -58.0 -25.0 80 81 A H > - 0 0 12 -2,-0.3 3,-1.9 -8,-0.2 -15,-0.2 -0.646 37.1-120.8 -76.7 146.4 31.7 -54.9 -26.8 81 82 A V T 3 S+ 0 0 4 -2,-0.3 -16,-0.2 1,-0.3 23,-0.1 0.896 115.5 48.8 -53.7 -38.8 32.9 -51.6 -25.2 82 83 A G T 3 S+ 0 0 0 -18,-2.4 -35,-2.7 -35,-0.1 2,-1.3 0.363 78.7 115.1 -86.7 5.0 29.3 -50.8 -24.5 83 84 A D E < +F 46 0B 0 -3,-1.9 -37,-0.2 -19,-0.2 3,-0.1 -0.647 28.2 162.8 -79.9 93.4 28.4 -54.2 -22.9 84 85 A L E - 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