==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-12 4FF9 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.AUCLAIR,H.R.BRODKIN,J.A.D'AQUINO,D.RINGE,G.A.PETSKO,J.N. . 305 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 5 3 0 2 6 2 2 0 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 0 1 1 0 0 0 0 1 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 61 0, 0.0 24,-0.1 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0-148.7 -21.2 20.7 -23.3 2 2 A T + 0 0 80 20,-1.0 150,-0.3 22,-0.5 19,-0.1 0.745 360.0 21.8 1.9 164.6 -19.3 23.1 -20.9 3 3 A K + 0 0 20 1,-0.1 149,-1.9 148,-0.1 2,-0.3 0.858 55.4 166.8 27.4 111.9 -19.5 23.7 -17.1 4 4 A A E -AB 20 151A 4 16,-2.4 16,-1.8 147,-0.2 2,-0.3 -0.846 13.0-160.9-129.7 172.0 -20.9 21.2 -14.5 5 5 A V E -AB 19 150A 3 145,-2.4 145,-2.5 -2,-0.3 2,-0.3 -0.990 6.3-170.4-153.8 150.0 -20.8 20.9 -10.7 6 6 A C E -A 18 0A 1 12,-1.3 12,-1.8 -2,-0.3 2,-0.7 -0.879 12.3-152.8-146.0 110.1 -21.4 18.2 -8.1 7 7 A V E -A 17 0A 34 141,-0.4 2,-0.7 -2,-0.3 10,-0.2 -0.741 19.3-148.5 -79.1 116.2 -21.7 18.7 -4.4 8 8 A L E +A 16 0A 1 8,-3.4 8,-1.6 -2,-0.7 2,-0.3 -0.799 26.5 165.5 -91.3 119.0 -20.6 15.5 -2.7 9 9 A K E +E 146 0B 128 137,-2.2 137,-2.5 -2,-0.7 2,-0.2 -0.874 2.2 160.7-125.9 157.5 -22.3 14.8 0.6 10 10 A G E -E 145 0B 21 2,-0.3 135,-0.2 -2,-0.3 134,-0.1 -0.659 51.7 -87.3-149.8-153.0 -22.6 11.6 2.7 11 11 A D S S+ 0 0 177 133,-0.6 134,-0.1 -2,-0.2 133,-0.1 0.449 106.3 45.4-109.0 -11.3 -23.4 10.3 6.2 12 12 A G S S- 0 0 45 132,-0.6 -2,-0.3 2,-0.2 25,-0.0 -0.198 110.7 -68.4-109.7-153.2 -19.9 10.6 7.5 13 13 A P S S+ 0 0 93 0, 0.0 25,-0.1 0, 0.0 23,-0.1 0.777 90.0 106.6 -73.1 -29.1 -17.3 13.4 7.3 14 14 A V + 0 0 7 23,-0.3 2,-0.3 130,-0.1 23,-0.2 -0.330 38.2 146.6 -73.1 130.3 -16.3 13.4 3.6 15 15 A Q + 0 0 103 21,-0.5 21,-3.5 -2,-0.1 2,-0.3 -0.979 8.9 147.7-152.1 153.7 -17.7 16.3 1.5 16 16 A G E -AC 8 35A 8 -8,-1.6 -8,-3.4 -2,-0.3 2,-0.4 -0.914 38.6-114.7 177.9 155.4 -16.4 18.3 -1.4 17 17 A I E -AC 7 34A 68 17,-1.0 17,-1.3 -2,-0.3 2,-0.5 -0.872 25.2-166.0-101.8 134.5 -17.3 20.2 -4.6 18 18 A I E -AC 6 33A 0 -12,-1.8 -12,-1.3 -2,-0.4 2,-0.2 -0.956 3.4-162.7-124.6 119.1 -16.2 18.9 -7.9 19 19 A N E -AC 5 32A 47 13,-2.7 13,-2.4 -2,-0.5 2,-0.4 -0.628 1.8-157.7 -94.0 153.0 -16.3 21.2 -11.0 20 20 A F E -AC 4 31A 2 -16,-1.8 -16,-2.4 -2,-0.2 2,-0.4 -0.993 7.9-174.6-130.4 126.0 -16.2 19.9 -14.6 21 21 A E E - C 0 30A 100 9,-2.3 9,-1.6 -2,-0.4 2,-0.2 -0.908 7.5-178.8-113.8 149.8 -15.2 22.0 -17.5 22 22 A Q - 0 0 0 -2,-0.4 -20,-1.0 7,-0.2 7,-0.1 -0.655 0.9-178.1-144.7 90.9 -15.3 20.9 -21.2 23 23 A K S S+ 0 0 101 5,-0.3 -21,-0.2 -2,-0.2 -1,-0.1 0.946 73.2 35.7 -53.2 -66.8 -14.0 23.6 -23.6 24 24 A E S S- 0 0 56 4,-0.2 -22,-0.5 1,-0.1 -2,-0.0 0.135 88.4-121.6 -68.6-162.0 -14.5 21.9 -26.9 25 25 A S S S+ 0 0 67 -24,-0.1 82,-0.3 80,-0.0 81,-0.2 0.728 98.1 32.1-119.7 -37.7 -17.6 19.6 -27.4 26 26 A N S S+ 0 0 147 81,-0.1 79,-0.0 79,-0.1 -4,-0.0 0.160 113.2 62.1-106.9 19.2 -16.5 16.1 -28.3 27 27 A G S S- 0 0 17 1,-0.2 2,-0.3 -5,-0.0 74,-0.0 0.327 85.0 -9.1-116.7-127.1 -13.3 16.0 -26.4 28 28 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.637 41.8-152.0 -95.3 139.5 -11.6 16.2 -22.9 29 29 A V E - D 0 101A 0 72,-3.7 72,-2.4 -2,-0.3 2,-0.6 -0.924 9.0-146.6-110.5 121.5 -13.1 17.1 -19.6 30 30 A K E -CD 21 100A 127 -9,-1.6 -9,-2.3 -2,-0.5 2,-0.5 -0.778 17.0-163.9 -83.0 122.5 -11.0 18.7 -16.9 31 31 A V E +CD 20 99A 1 68,-3.8 68,-3.6 -2,-0.6 2,-0.3 -0.938 20.6 156.3-107.9 126.2 -12.3 17.5 -13.6 32 32 A W E +CD 19 98A 104 -13,-2.4 -13,-2.7 -2,-0.5 2,-0.3 -1.000 6.9 90.1-150.7 156.2 -11.2 19.4 -10.5 33 33 A G E -CD 18 97A 8 64,-1.9 64,-3.6 -2,-0.3 2,-0.4 -0.970 55.4 -70.2 154.8-165.6 -12.0 20.3 -7.0 34 34 A S E -CD 17 96A 58 -17,-1.3 -17,-1.0 -2,-0.3 2,-0.4 -0.971 25.3-173.2-135.0 136.8 -11.6 19.4 -3.4 35 35 A I E -CD 16 95A 0 60,-1.3 60,-3.4 -2,-0.4 -19,-0.3 -0.991 13.0-165.2-130.7 135.0 -12.9 16.7 -1.0 36 36 A K + 0 0 36 -21,-3.5 -21,-0.5 -2,-0.4 58,-0.2 -0.434 57.7 44.0-111.1 177.7 -12.4 16.6 2.8 37 37 A G S S+ 0 0 35 55,-0.5 -23,-0.3 -23,-0.2 57,-0.2 0.406 77.6 131.8 72.6 -0.3 -12.7 14.1 5.6 38 38 A L - 0 0 8 55,-1.9 2,-0.3 -3,-0.2 -1,-0.2 -0.368 61.6-104.9 -81.3 161.0 -11.0 11.2 3.8 39 39 A T - 0 0 90 82,-0.2 50,-0.3 1,-0.1 -1,-0.1 -0.646 50.0 -90.8 -78.6 145.6 -8.3 8.9 4.9 40 40 A E S S+ 0 0 126 -2,-0.3 2,-0.3 48,-0.1 50,-0.2 -0.177 90.9 36.5 -52.8 141.0 -4.8 9.5 3.5 41 41 A G E S-F 89 0B 29 48,-2.2 48,-2.6 -3,-0.1 2,-0.2 -0.749 97.5 -10.8 115.5-160.1 -4.2 7.6 0.3 42 42 A L E -F 88 0B 88 -2,-0.3 2,-0.3 46,-0.2 46,-0.2 -0.501 50.1-174.3 -88.4 146.9 -6.1 6.4 -2.7 43 43 A H E -F 87 0B 1 44,-1.9 44,-2.0 -2,-0.2 80,-0.2 -0.993 28.1-113.0-143.1 132.7 -9.8 6.5 -3.2 44 44 A G E -F 86 0B 0 78,-2.1 76,-2.4 -2,-0.3 2,-0.3 -0.303 32.0-172.5 -64.2 148.4 -12.1 5.3 -6.0 45 45 A F E + G 0 119B 0 40,-2.0 39,-1.1 74,-0.2 2,-0.3 -0.914 17.5 143.7-151.6 107.2 -13.7 7.9 -8.0 46 46 A H E -FG 83 118B 0 72,-2.1 72,-3.2 -2,-0.3 2,-0.6 -0.959 47.9-113.9-144.1 161.0 -16.4 7.2 -10.7 47 47 A V E - G 0 117B 0 35,-1.4 17,-3.2 -2,-0.3 70,-0.3 -0.886 35.3-152.1 -92.2 126.0 -19.6 8.2 -12.3 48 48 A H E -HG 63 116B 2 68,-3.9 68,-0.8 -2,-0.6 15,-0.3 -0.448 23.9-108.2 -88.9 172.5 -22.4 5.8 -11.6 49 49 A E S S+ 0 0 63 13,-2.5 2,-0.5 11,-0.3 12,-0.2 0.845 92.4 52.2 -75.2 -36.0 -25.3 5.2 -13.9 50 50 A F - 0 0 18 10,-3.1 2,-1.7 12,-0.3 255,-0.2 -0.901 59.9-148.6-117.6 130.0 -28.2 6.9 -12.1 51 51 A G + 0 0 3 253,-1.2 2,-0.6 63,-0.8 252,-0.3 -0.289 60.9 134.0 -81.3 52.0 -28.6 10.4 -10.6 52 52 A D + 0 0 24 -2,-1.7 -2,-0.1 7,-0.2 9,-0.1 -0.928 24.4 162.9-114.6 111.8 -30.8 8.6 -8.0 53 53 A N > + 0 0 55 -2,-0.6 3,-2.0 6,-0.1 5,-0.1 0.246 42.4 111.3-113.1 7.8 -30.2 9.5 -4.4 54 54 A T T 3 S+ 0 0 69 1,-0.3 2,-0.2 5,-0.1 -1,-0.1 0.935 91.6 29.5 -49.6 -55.3 -33.5 8.2 -3.0 55 55 A A T > S- 0 0 65 1,-0.4 3,-0.8 -3,-0.1 -1,-0.3 -0.278 123.0-106.1-100.3 45.4 -31.8 5.3 -1.1 56 56 A G G X S- 0 0 30 -3,-2.0 3,-1.2 1,-0.2 -1,-0.4 -0.252 75.9 -24.0 67.9-152.8 -28.6 7.3 -0.6 57 57 A a G > S+ 0 0 20 1,-0.3 3,-1.2 86,-0.2 4,-0.3 0.714 129.5 72.9 -67.5 -19.0 -25.5 6.6 -2.6 58 58 A T G X S+ 0 0 113 -3,-0.8 3,-1.2 1,-0.2 -1,-0.3 0.827 87.6 61.9 -62.1 -30.7 -26.7 3.0 -3.1 59 59 A S G < S+ 0 0 22 -3,-1.2 -1,-0.2 1,-0.3 247,-0.2 0.557 80.8 80.8 -78.5 -8.2 -29.3 4.2 -5.6 60 60 A A G < S- 0 0 0 -3,-1.2 -10,-3.1 1,-0.2 -11,-0.3 0.740 87.1-158.2 -69.4 -22.9 -26.7 5.5 -8.0 61 61 A G < - 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