==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-NOV-11 4A7Q . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.S.A.WRIGHT,N.M.KERSHAW,R.SHARMA,S.V.ANTONYUK,R.W.STRANGE,N . 306 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 63.4 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 . 102 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.7 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 . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 4 2 0 2 4 0 4 2 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 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 A 0 0 89 0, 0.0 2,-0.4 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 164.6 9.2 4.6 30.1 2 2 A T E -A 22 0A 69 20,-2.3 20,-3.0 22,-0.1 2,-0.3 -0.942 360.0-166.9-116.9 137.6 8.5 3.5 26.6 3 3 A K E +A 21 0A 83 149,-0.5 149,-2.3 -2,-0.4 2,-0.3 -0.950 11.6 176.2-130.9 149.0 4.9 3.0 25.4 4 4 A A E -AB 20 151A 1 16,-2.2 16,-2.7 -2,-0.3 2,-0.3 -0.920 8.6-161.3-144.9 169.1 3.1 1.4 22.5 5 5 A V E -AB 19 150A 2 145,-2.0 145,-3.1 -2,-0.3 2,-0.4 -0.991 5.1-161.2-154.0 153.0 -0.5 0.9 21.5 6 6 A C E -A 18 0A 2 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.979 8.3-154.7-146.1 128.6 -2.6 -1.2 19.2 7 7 A V E -A 17 0A 30 141,-0.4 2,-0.5 -2,-0.4 10,-0.2 -0.900 21.0-149.6 -99.8 120.8 -6.1 -0.7 17.9 8 8 A L E +A 16 0A 1 8,-2.5 8,-2.0 -2,-0.6 2,-0.3 -0.853 28.8 151.7 -99.8 128.0 -7.7 -4.1 17.0 9 9 A K B +E 146 0B 126 137,-2.2 137,-2.5 -2,-0.5 2,-0.2 -0.958 9.0 164.3-145.1 156.6 -10.2 -4.4 14.2 10 10 A G - 0 0 32 2,-0.4 135,-0.2 4,-0.4 134,-0.1 -0.760 54.1 -75.5-152.0-155.7 -11.3 -7.0 11.7 11 11 A D S S+ 0 0 174 133,-0.3 134,-0.1 -2,-0.2 133,-0.1 0.678 110.3 41.6 -88.3 -15.9 -14.1 -7.9 9.3 12 12 A G S S- 0 0 53 132,-0.6 -2,-0.4 2,-0.1 132,-0.0 -0.049 111.9 -63.9-110.3-147.3 -16.6 -8.9 12.0 13 13 A P S S+ 0 0 92 0, 0.0 2,-0.4 0, 0.0 25,-0.1 0.495 89.3 112.1 -89.1 -4.3 -17.6 -7.6 15.5 14 14 A V + 0 0 7 130,-0.3 -4,-0.4 23,-0.2 2,-0.3 -0.553 36.3 148.5 -79.9 127.6 -14.3 -8.0 17.3 15 15 A Q E + C 0 36A 89 21,-1.9 21,-2.9 -2,-0.4 2,-0.3 -0.993 10.0 153.9-156.4 154.0 -12.5 -4.9 18.3 16 16 A G E -AC 8 35A 13 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.4 -0.960 33.1-124.1-165.5 175.8 -10.3 -3.7 21.0 17 17 A I E -AC 7 34A 50 17,-2.2 17,-1.8 -2,-0.3 2,-0.4 -0.993 23.9-174.7-140.2 126.3 -7.6 -1.4 22.4 18 18 A I E -AC 6 33A 0 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.3 -0.997 5.7-161.0-131.0 130.9 -4.4 -2.7 23.9 19 19 A N E -AC 5 32A 45 13,-3.2 13,-2.3 -2,-0.4 2,-0.4 -0.838 1.5-160.8-108.5 147.5 -1.6 -0.6 25.6 20 20 A F E +AC 4 31A 1 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.4 -0.984 8.9 179.4-128.0 136.2 2.0 -1.6 26.3 21 21 A E E -AC 3 30A 55 9,-2.2 9,-2.9 -2,-0.4 2,-0.5 -0.986 7.6-174.6-139.9 135.8 4.3 0.1 28.8 22 22 A Q E -AC 2 29A 2 -20,-3.0 -20,-2.3 -2,-0.4 7,-0.2 -0.972 6.8-167.9-131.2 112.5 7.9 -0.8 29.6 23 23 A K S S+ 0 0 158 5,-0.6 2,-0.4 -2,-0.5 -1,-0.1 0.908 73.5 26.1 -68.0 -41.4 9.6 1.1 32.4 24 24 A E S > S- 0 0 134 4,-0.3 3,-2.4 -23,-0.1 -1,-0.1 -0.941 90.1 -96.1-128.8 145.7 13.2 -0.1 31.7 25 25 A S T 3 S+ 0 0 80 -2,-0.4 -2,-0.0 1,-0.3 83,-0.0 -0.251 116.2 7.6 -46.7 136.5 15.1 -1.2 28.7 26 26 A N T 3 S+ 0 0 141 1,-0.2 -1,-0.3 81,-0.1 3,-0.1 0.474 108.4 118.9 61.2 2.8 15.0 -5.0 28.7 27 27 A G S < S- 0 0 12 -3,-2.4 -1,-0.2 1,-0.2 0, 0.0 -0.279 73.7 -67.0 -89.4 178.3 12.5 -5.0 31.6 28 28 A P - 0 0 53 0, 0.0 -5,-0.6 0, 0.0 2,-0.5 -0.269 43.2-133.8 -67.7 153.8 9.0 -6.4 31.6 29 29 A V E -CD 22 101A 0 72,-3.0 72,-2.5 -7,-0.2 2,-0.4 -0.935 9.4-143.3-108.9 124.0 6.2 -5.0 29.5 30 30 A K E -CD 21 100A 92 -9,-2.9 -9,-2.2 -2,-0.5 2,-0.4 -0.744 17.0-166.3 -83.7 137.6 2.8 -4.4 31.0 31 31 A V E +CD 20 99A 0 68,-2.9 68,-2.7 -2,-0.4 2,-0.3 -0.993 18.4 155.4-129.0 121.8 -0.1 -5.1 28.5 32 32 A W E +CD 19 98A 97 -13,-2.3 -13,-3.2 -2,-0.4 2,-0.3 -0.999 10.9 90.3-151.7 153.5 -3.6 -3.9 29.2 33 33 A G E -CD 18 97A 16 64,-2.0 64,-2.9 -2,-0.3 2,-0.3 -0.989 57.4 -78.1 159.2-150.7 -6.9 -2.9 27.6 34 34 A S E -CD 17 96A 41 -17,-1.8 -17,-2.2 -2,-0.3 2,-0.4 -0.994 22.0-164.5-149.0 142.0 -10.2 -4.4 26.5 35 35 A I E -CD 16 95A 0 60,-2.1 60,-2.9 -2,-0.3 2,-0.3 -0.999 15.7-177.8-129.4 134.6 -11.5 -6.5 23.6 36 36 A K E +C 15 0A 113 -21,-2.9 -21,-1.9 -2,-0.4 58,-0.2 -0.806 52.6 55.9-126.0 168.8 -15.2 -6.9 22.8 37 37 A G S S+ 0 0 33 55,-0.3 2,-0.2 -2,-0.3 -23,-0.2 0.613 76.6 135.5 87.2 11.3 -17.3 -8.7 20.3 38 38 A L - 0 0 13 55,-2.3 -1,-0.3 -3,-0.2 2,-0.2 -0.514 58.4-113.1 -93.3 157.3 -15.9 -12.2 21.2 39 39 A T - 0 0 98 -2,-0.2 50,-0.3 82,-0.1 -1,-0.1 -0.581 54.4 -84.1 -75.5 150.2 -17.5 -15.6 21.8 40 40 A E S S+ 0 0 114 -2,-0.2 2,-0.2 51,-0.2 50,-0.2 -0.253 92.7 30.4 -56.1 140.3 -17.2 -16.8 25.4 41 41 A G E S-F 89 0B 22 48,-2.7 48,-2.7 -3,-0.1 2,-0.2 -0.683 98.0 -11.4 111.7-163.1 -14.0 -18.5 26.2 42 42 A L E -F 88 0B 79 -2,-0.2 2,-0.4 46,-0.2 46,-0.2 -0.547 45.3-174.9 -84.4 140.5 -10.3 -18.4 25.2 43 43 A H E -F 87 0B 1 44,-2.4 44,-2.4 -2,-0.2 80,-0.2 -0.988 32.5-113.5-132.6 122.5 -9.0 -16.6 22.2 44 44 A G E -F 86 0B 0 78,-2.6 76,-2.9 -2,-0.4 2,-0.4 -0.221 30.3-162.0 -56.1 144.9 -5.4 -16.9 21.1 45 45 A F E + G 0 119B 2 40,-2.7 39,-1.2 74,-0.2 2,-0.3 -0.959 22.5 151.9-139.4 107.8 -3.5 -13.6 21.5 46 46 A H E -FG 83 118B 0 72,-2.0 72,-2.6 -2,-0.4 2,-0.6 -0.975 46.9-122.7-141.1 152.1 -0.2 -13.2 19.7 47 47 A V E - G 0 117B 0 35,-2.2 17,-3.0 -2,-0.3 70,-0.2 -0.878 36.6-153.6 -88.3 124.7 2.2 -10.8 18.1 48 48 A H E -HG 63 116B 1 68,-3.3 68,-1.4 -2,-0.6 15,-0.3 -0.626 22.0-109.4 -99.5 158.2 2.7 -11.9 14.5 49 49 A E S S+ 0 0 68 13,-2.9 2,-0.4 -2,-0.2 12,-0.2 0.826 91.6 53.3 -59.3 -49.9 5.8 -11.2 12.6 50 50 A F - 0 0 13 10,-2.7 2,-0.4 12,-0.2 66,-0.3 -0.779 61.7-147.4 -99.7 142.1 4.7 -8.6 10.0 51 51 A G + 0 0 2 254,-1.8 2,-0.6 63,-0.6 253,-0.3 -0.276 64.3 124.5 -88.3 43.0 3.0 -5.3 10.6 52 52 A D + 0 0 28 -2,-0.4 -2,-0.1 7,-0.2 3,-0.1 -0.951 25.8 161.7-109.0 114.9 1.3 -5.9 7.2 53 53 A N > + 0 0 30 -2,-0.6 3,-2.0 6,-0.1 5,-0.1 -0.016 32.4 128.6-117.0 26.7 -2.5 -5.8 7.1 54 54 A T T 3 S+ 0 0 71 1,-0.3 3,-0.1 5,-0.1 -1,-0.1 0.884 87.8 22.4 -45.2 -51.3 -2.7 -5.3 3.3 55 55 A A T 3 S- 0 0 75 1,-0.5 3,-0.3 -3,-0.1 -1,-0.3 0.072 129.8 -86.4-104.7 22.2 -5.1 -8.2 2.8 56 56 A G S X S- 0 0 28 -3,-2.0 3,-1.6 1,-0.2 -1,-0.5 -0.592 79.2 -32.3 95.2-165.7 -6.4 -8.2 6.4 57 57 A a G > S+ 0 0 16 1,-0.3 3,-1.5 86,-0.2 -1,-0.2 0.704 124.7 73.5 -67.9 -21.6 -4.9 -10.0 9.3 58 58 A T G > S+ 0 0 100 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.809 84.6 68.8 -56.2 -32.8 -3.6 -12.9 7.2 59 59 A S G < S+ 0 0 25 -3,-1.6 -1,-0.3 1,-0.3 -7,-0.2 0.650 79.5 79.2 -65.8 -16.0 -0.9 -10.6 5.9 60 60 A A G < S- 0 0 0 -3,-1.5 -10,-2.7 1,-0.2 -1,-0.3 0.596 86.9-152.8 -72.7 -9.8 0.8 -10.5 9.3 61 61 A G < - 0 0 17 -3,-1.6 -1,-0.2 -12,-0.2 3,-0.1 -0.351 38.4 -19.4 74.9-156.3 2.4 -13.9 8.8 62 62 A P S S- 0 0 72 0, 0.0 -13,-2.9 0, 0.0 -12,-0.2 -0.119 88.9 -64.3 -83.2 178.3 3.4 -16.4 11.5 63 63 A H B -H 48 0B 10 73,-0.3 -15,-0.3 -15,-0.3 2,-0.3 -0.349 66.0 -94.2 -61.5 143.8 3.9 -15.7 15.2 64 64 A F + 0 0 6 -17,-3.0 18,-2.6 52,-0.2 19,-0.2 -0.490 55.7 166.8 -64.1 123.0 6.9 -13.3 15.8 65 65 A N > + 0 0 53 -2,-0.3 3,-1.3 15,-0.2 -1,-0.1 -0.490 14.4 155.8-144.9 63.9 9.8 -15.6 16.4 66 66 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.684 77.8 55.0 -69.7 -12.6 13.2 -13.9 16.3 67 67 A L T 3 S- 0 0 65 -3,-0.1 43,-0.0 43,-0.0 -3,-0.0 0.323 107.8-118.8-109.4 11.7 14.9 -16.5 18.5 68 68 A S < + 0 0 105 -3,-1.3 2,-0.2 1,-0.2 12,-0.1 0.964 61.7 139.5 55.5 65.2 14.0 -19.5 16.5 69 69 A R - 0 0 86 -4,-0.0 2,-0.2 9,-0.0 -1,-0.2 -0.747 51.4 -99.0-129.3 173.4 11.8 -21.5 19.0 70 70 A K - 0 0 124 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.542 50.1 -82.7 -89.3 167.2 8.7 -23.5 19.0 71 71 A H + 0 0 5 64,-2.5 2,-0.2 8,-0.2 -1,-0.1 -0.373 61.8 141.3 -69.1 141.5 5.2 -22.3 20.0 72 72 A G - 0 0 2 8,-0.1 13,-0.3 64,-0.1 55,-0.3 -0.847 48.7 -71.5-154.6-170.1 4.3 -22.2 23.7 73 73 A G > - 0 0 0 53,-0.6 3,-1.9 -2,-0.2 10,-0.1 -0.513 47.5-104.7 -87.9 166.4 2.5 -20.3 26.4 74 74 A P T 3 S+ 0 0 40 0, 0.0 28,-0.2 0, 0.0 29,-0.1 0.738 121.8 53.0 -65.8 -23.9 3.7 -17.0 27.8 75 75 A K T 3 S+ 0 0 202 3,-0.1 2,-0.3 26,-0.1 3,-0.1 0.315 94.6 95.6 -88.2 2.9 4.8 -18.8 31.0 76 76 A D < - 0 0 53 -3,-1.9 -4,-0.1 1,-0.1 3,-0.0 -0.694 69.4-142.3 -95.9 149.1 6.9 -21.4 29.1 77 77 A E S S+ 0 0 173 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.924 97.2 62.7 -68.7 -45.1 10.6 -21.3 28.3 78 78 A E S S+ 0 0 84 -7,-0.1 2,-0.3 -9,-0.1 -5,-0.2 -0.710 82.2 115.9 -86.6 99.0 10.0 -22.7 24.8 79 79 A R - 0 0 11 -2,-1.1 2,-0.2 -7,-0.1 -8,-0.2 -0.978 67.4-102.5-155.2 159.1 7.8 -20.1 23.2 80 80 A H > - 0 0 15 -2,-0.3 3,-2.0 -8,-0.2 -15,-0.2 -0.601 38.9-115.8 -73.7 152.0 7.8 -17.6 20.4 81 81 A V T 3 S+ 0 0 3 1,-0.3 -16,-0.2 -2,-0.2 23,-0.1 0.894 117.6 54.6 -55.9 -39.6 8.5 -14.0 21.5 82 82 A G T 3 S+ 0 0 0 -18,-2.6 -35,-2.2 -35,-0.2 2,-1.3 0.428 76.1 116.8 -77.2 8.3 5.0 -13.2 20.3 83 83 A D E < +F 46 0B 0 -3,-2.0 -37,-0.2 -19,-0.2 3,-0.1 -0.570 24.0 156.7 -85.8 95.4 3.3 -15.9 22.4 84 84 A L E - 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