==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-08 3ECU . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CALDERONE . 555 8 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 35.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 3 0.5 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 . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 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 . 10 4 0 4 9 3 8 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 2 2 0 0 0 0 2 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 95 0, 0.0 22,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 91.0 2.5 -18.0 27.4 2 2 A T E -A 22 0A 67 20,-0.7 20,-1.7 19,-0.1 2,-0.3 -0.282 360.0-162.1 -67.2 152.0 1.2 -14.7 28.6 3 3 A K E -A 21 0A 51 149,-0.4 149,-1.9 18,-0.2 2,-0.3 -0.916 12.3-177.9-138.3 153.3 -2.6 -14.7 29.3 4 4 A A E -AB 20 151A 0 16,-1.6 16,-2.4 -2,-0.3 2,-0.3 -0.943 4.8-166.3-150.4 167.3 -5.3 -12.1 29.7 5 5 A V E -AB 19 150A 2 145,-1.7 145,-2.7 -2,-0.3 2,-0.4 -0.960 4.8-160.0-157.3 146.3 -9.1 -12.0 30.5 6 6 A C E -A 18 0A 0 12,-2.1 12,-2.5 -2,-0.3 2,-0.5 -0.979 7.9-154.1-132.0 136.4 -11.8 -9.3 30.2 7 7 A V E -A 17 0A 27 141,-0.4 2,-0.4 -2,-0.4 10,-0.2 -0.953 22.7-149.2-106.6 120.4 -15.1 -9.4 32.2 8 8 A L E +A 16 0A 0 8,-3.0 8,-1.4 -2,-0.5 2,-0.3 -0.809 27.5 155.1 -99.4 136.0 -17.5 -7.4 30.1 9 9 A K B +E 146 0B 107 137,-2.4 137,-2.5 -2,-0.4 2,-0.3 -0.969 8.2 164.4-155.4 161.7 -20.4 -5.5 31.7 10 10 A G - 0 0 35 2,-0.4 135,-0.2 -2,-0.3 134,-0.1 -0.875 57.3 -69.6-161.8-174.2 -22.6 -2.6 31.1 11 11 A D S S+ 0 0 182 -2,-0.3 134,-0.1 133,-0.2 133,-0.1 0.450 113.0 48.9 -62.9 -4.5 -25.8 -0.8 32.1 12 12 A G S S- 0 0 43 132,-0.6 -2,-0.4 2,-0.2 25,-0.0 -0.206 106.6 -73.4-126.4-161.7 -27.8 -3.7 30.5 13 13 A P S S+ 0 0 88 0, 0.0 2,-0.7 0, 0.0 23,-0.1 0.447 84.1 116.0 -83.4 0.2 -28.0 -7.5 30.5 14 14 A V + 0 0 4 130,-0.3 2,-0.4 23,-0.2 -4,-0.2 -0.579 36.9 164.1 -76.6 114.5 -24.9 -8.1 28.4 15 15 A Q E + C 0 36A 81 21,-0.8 21,-2.3 -2,-0.7 2,-0.3 -0.996 5.5 162.3-133.0 144.4 -22.3 -10.0 30.4 16 16 A G E -AC 8 35A 7 -8,-1.4 -8,-3.0 -2,-0.4 2,-0.5 -0.988 33.1-144.4-154.9 153.0 -19.3 -11.9 29.2 17 17 A I E -AC 7 34A 59 17,-1.8 17,-1.7 -2,-0.3 2,-0.4 -0.978 22.8-176.3-120.0 118.6 -15.9 -13.5 29.8 18 18 A I E -AC 6 33A 0 -12,-2.5 -12,-2.1 -2,-0.5 2,-0.3 -0.931 7.6-159.4-113.6 134.3 -13.4 -13.2 27.1 19 19 A N E -AC 5 32A 33 13,-2.9 13,-1.2 -2,-0.4 2,-0.3 -0.862 1.6-157.5-117.9 146.1 -10.0 -14.9 27.3 20 20 A F E +AC 4 31A 0 -16,-2.4 -16,-1.6 -2,-0.3 2,-0.3 -0.954 10.4 177.3-124.5 143.7 -6.7 -14.2 25.6 21 21 A E E +AC 3 30A 61 9,-1.7 9,-3.4 -2,-0.3 2,-0.4 -0.954 10.4 171.7-149.7 132.0 -3.7 -16.4 24.9 22 22 A Q E -A 2 0A 5 -20,-1.7 -20,-0.7 -2,-0.3 7,-0.1 -0.922 6.8-175.3-139.4 100.0 -0.5 -15.8 23.1 23 23 A K S S+ 0 0 142 -2,-0.4 2,-0.4 5,-0.4 -1,-0.1 0.810 74.9 41.0 -72.4 -26.9 2.0 -18.6 23.6 24 24 A E S > S- 0 0 83 4,-0.3 3,-1.7 -23,-0.1 -1,-0.1 -0.963 82.7-123.6-122.7 141.3 4.7 -16.7 21.5 25 25 A S T 3 S+ 0 0 88 -2,-0.4 82,-0.2 1,-0.3 81,-0.1 0.750 118.9 29.9 -49.0 -27.7 5.7 -13.0 21.6 26 26 A N T 3 S+ 0 0 141 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.408 102.8 113.9-111.8 -7.4 5.1 -12.8 17.9 27 27 A G S < S- 0 0 6 -3,-1.7 2,-0.2 1,-0.1 -5,-0.0 0.045 77.7 -86.8 -59.4 171.8 2.5 -15.5 17.9 28 28 A P - 0 0 48 0, 0.0 2,-0.6 0, 0.0 -5,-0.4 -0.520 40.5-118.8 -74.9 150.0 -1.2 -15.1 17.0 29 29 A V E - D 0 101A 0 72,-4.1 72,-3.2 75,-0.2 2,-0.5 -0.861 23.4-153.1 -94.3 118.3 -3.5 -14.1 19.9 30 30 A K E -CD 21 100A 56 -9,-3.4 -9,-1.7 -2,-0.6 2,-0.5 -0.770 13.0-170.3 -92.4 128.2 -6.2 -16.7 20.5 31 31 A V E +CD 20 99A 0 68,-2.5 68,-3.0 -2,-0.5 2,-0.3 -0.939 14.1 157.5-129.6 113.2 -9.4 -15.2 22.0 32 32 A W E +CD 19 98A 79 -13,-1.2 -13,-2.9 -2,-0.5 2,-0.3 -0.913 14.4 92.4-134.7 154.4 -12.2 -17.3 23.3 33 33 A G E -CD 18 97A 14 64,-1.7 64,-1.9 -2,-0.3 2,-0.3 -0.976 56.3 -77.8 163.3-153.8 -15.2 -17.1 25.8 34 34 A S E -CD 17 96A 42 -17,-1.7 -17,-1.8 -2,-0.3 2,-0.3 -0.964 20.2-166.5-139.0 154.0 -18.9 -16.2 25.9 35 35 A I E -CD 16 95A 0 60,-1.0 60,-3.5 -2,-0.3 -19,-0.2 -0.985 12.6-175.6-139.4 132.8 -21.3 -13.2 26.0 36 36 A K E +C 15 0A 108 -21,-2.3 -21,-0.8 -2,-0.3 58,-0.2 -0.603 56.7 57.4-117.4 173.0 -25.0 -13.4 26.9 37 37 A G S S+ 0 0 33 55,-0.4 2,-0.3 1,-0.2 -23,-0.2 0.702 76.3 135.3 79.0 16.4 -27.8 -10.7 26.8 38 38 A L - 0 0 8 55,-1.7 -1,-0.2 -3,-0.2 2,-0.1 -0.741 60.0-113.5-102.2 143.0 -27.3 -10.0 23.2 39 39 A T - 0 0 100 -2,-0.3 50,-0.3 82,-0.2 53,-0.1 -0.451 55.1 -85.2 -64.1 144.7 -30.0 -9.5 20.4 40 40 A E S S+ 0 0 131 51,-0.2 2,-0.2 -2,-0.1 50,-0.2 -0.191 94.0 35.3 -48.6 141.2 -29.7 -12.3 17.8 41 41 A G E S-F 89 0B 27 48,-3.1 48,-3.9 -3,-0.1 2,-0.3 -0.673 96.8 -23.8 115.3-169.8 -27.1 -11.5 15.2 42 42 A L E -F 88 0B 80 46,-0.3 2,-0.3 -2,-0.2 46,-0.2 -0.620 47.2-175.1 -87.0 139.7 -23.8 -9.9 14.8 43 43 A H E -F 87 0B 2 44,-2.7 44,-1.9 -2,-0.3 80,-0.3 -0.994 33.9-103.4-133.0 147.3 -22.3 -7.2 17.1 44 44 A G E -F 86 0B 0 78,-2.1 76,-3.8 -2,-0.3 2,-0.5 -0.405 29.3-161.5 -75.0 146.7 -19.0 -5.3 16.7 45 45 A F E + G 0 119B 0 40,-1.5 39,-1.1 74,-0.3 2,-0.4 -0.997 23.6 167.9-130.8 104.1 -16.3 -6.5 19.1 46 46 A H E -FG 83 118B 0 72,-3.0 72,-2.4 -2,-0.5 2,-0.5 -0.990 39.6-135.4-132.8 145.7 -13.5 -3.8 19.4 47 47 A V E - G 0 117B 0 35,-1.9 17,-2.3 -2,-0.4 70,-0.2 -0.849 32.5-159.4 -91.9 128.0 -10.5 -3.0 21.5 48 48 A H E -HG 63 116B 2 68,-2.7 68,-1.3 -2,-0.5 15,-0.3 -0.562 26.6-104.1-106.8 169.4 -10.8 0.8 22.4 49 49 A E S S+ 0 0 67 13,-2.8 2,-0.4 -2,-0.2 12,-0.2 0.918 89.8 51.8 -73.4 -42.5 -7.8 2.8 23.5 50 50 A F - 0 0 13 10,-2.8 2,-0.8 12,-0.2 65,-0.2 -0.722 58.9-145.2-103.3 145.5 -8.2 3.3 27.2 51 51 A G + 0 0 3 63,-1.0 2,-0.5 254,-1.0 253,-0.4 -0.308 64.4 128.8 -83.5 50.5 -8.8 1.1 30.2 52 52 A D + 0 0 27 -2,-0.8 3,-0.1 7,-0.1 -2,-0.1 -0.931 25.8 162.6-113.4 117.6 -10.8 3.9 31.7 53 53 A N > + 0 0 71 -2,-0.5 3,-1.7 6,-0.1 -1,-0.1 0.025 36.7 123.2-115.1 27.4 -14.4 3.2 33.0 54 54 A T T 3 S+ 0 0 57 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 0.819 90.8 23.2 -62.3 -23.7 -14.7 6.3 35.0 55 55 A A T > S- 0 0 66 1,-0.7 3,-0.5 -3,-0.1 -1,-0.3 -0.199 122.3 -94.1-129.2 36.8 -17.9 7.1 32.9 56 56 A G G X S- 0 0 29 -3,-1.7 3,-0.8 1,-0.2 -1,-0.7 -0.488 80.8 -31.2 76.9-159.5 -19.0 3.8 31.8 57 57 A a G > S+ 0 0 16 1,-0.3 3,-2.1 86,-0.2 4,-0.4 0.797 125.9 75.8 -75.0 -26.5 -17.9 2.5 28.4 58 58 A T G X S+ 0 0 107 -3,-0.5 3,-2.2 1,-0.3 -1,-0.3 0.889 88.2 60.9 -44.1 -46.3 -17.8 6.0 26.8 59 59 A S G < S+ 0 0 25 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.616 81.9 79.2 -68.6 -11.6 -14.5 6.7 28.6 60 60 A A G < S- 0 0 0 -3,-2.1 -10,-2.8 -4,-0.2 -1,-0.3 0.730 90.5-158.0 -61.2 -22.5 -12.7 3.8 26.9 61 61 A G < - 0 0 17 -3,-2.2 -1,-0.2 -4,-0.4 3,-0.1 -0.409 32.7 -18.9 78.3-151.0 -12.5 6.3 24.0 62 62 A P S S- 0 0 71 0, 0.0 -13,-2.8 0, 0.0 -12,-0.2 -0.081 86.6 -63.2 -90.9-175.5 -12.0 5.4 20.4 63 63 A H B -H 48 0B 14 -15,-0.3 2,-0.9 1,-0.1 -15,-0.3 -0.287 59.4-102.9 -63.4 156.4 -10.8 2.3 18.8 64 64 A F + 0 0 5 -17,-2.3 18,-2.4 52,-0.1 17,-0.3 -0.712 58.5 157.3 -84.6 111.6 -7.2 1.5 19.6 65 65 A N > + 0 0 40 -2,-0.9 3,-1.6 15,-0.2 -1,-0.1 -0.568 12.4 164.3-137.9 75.5 -5.6 2.6 16.4 66 66 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.770 78.5 53.8 -71.6 -18.4 -2.0 3.3 17.0 67 67 A L T 3 S- 0 0 47 -3,-0.1 -3,-0.0 12,-0.1 12,-0.0 0.203 104.6-124.0 -94.2 17.0 -1.2 3.3 13.3 68 68 A S < + 0 0 96 -3,-1.6 12,-0.1 1,-0.1 -3,-0.0 0.755 55.7 157.8 38.0 36.4 -3.9 5.8 12.3 69 69 A R - 0 0 81 10,-0.2 2,-0.3 1,-0.1 11,-0.1 -0.145 46.0-100.0 -70.3 175.5 -5.5 3.3 9.8 70 70 A K - 0 0 130 1,-0.1 66,-0.2 9,-0.1 -1,-0.1 -0.769 49.2 -88.8 -93.3 145.3 -9.1 3.4 8.5 71 71 A H + 0 0 5 64,-1.9 2,-0.2 -2,-0.3 -1,-0.1 -0.226 65.3 143.5 -48.1 137.0 -11.6 1.1 10.1 72 72 A G - 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