==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUN-03 1PU0 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DIDONATO,L.CRAIG,M.E.HUFF,M.M.THAYER,R.M.F.CARDOSO, . 1530 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 987 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 514 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 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 . 9 0.6 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 . 119 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 2.1 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 8 1 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 RESIDUES PER ALPHA HELIX . 8 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 . 27 10 0 10 20 2 26 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 10 0 0 0 1 3 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 2,-0.3 0, 0.0 22,-0.3 0.000 360.0 360.0 360.0 133.7 46.2 29.6 7.6 2 2 A T E -A 22 0A 56 20,-4.0 20,-3.0 149,-0.0 2,-0.4 -0.729 360.0-165.8 -86.6 145.2 49.8 29.8 8.7 3 3 A K E +A 21 0A 62 149,-0.4 149,-2.4 -2,-0.3 2,-0.3 -0.984 12.9 173.8-133.8 145.6 50.2 30.3 12.4 4 4 A A E -AB 20 151A 2 16,-2.1 16,-2.2 -2,-0.4 2,-0.3 -0.902 9.0-161.0-141.0 170.4 53.1 31.3 14.6 5 5 A V E -AB 19 150A 3 145,-2.4 145,-3.0 -2,-0.3 2,-0.4 -0.993 2.8-162.2-155.0 151.7 53.7 32.1 18.3 6 6 A C E -A 18 0A 1 12,-2.1 12,-2.6 -2,-0.3 2,-0.7 -0.965 9.0-153.4-142.4 127.1 56.2 33.8 20.4 7 7 A V E -A 17 0A 28 141,-0.5 2,-0.5 -2,-0.4 10,-0.2 -0.889 21.1-149.0 -99.1 117.6 56.8 33.6 24.2 8 8 A L E +A 16 0A 0 8,-2.6 8,-1.7 -2,-0.7 2,-0.3 -0.773 27.8 155.6 -92.0 130.0 58.4 36.9 25.4 9 9 A K B +C 146 0A 115 137,-2.4 137,-2.3 -2,-0.5 2,-0.2 -0.974 6.4 159.7-146.9 158.1 60.8 36.8 28.4 10 10 A G - 0 0 36 4,-0.4 135,-0.2 2,-0.4 134,-0.1 -0.816 56.0 -73.9-158.2-165.4 63.6 38.9 29.7 11 11 A D S S+ 0 0 165 -2,-0.2 134,-0.1 133,-0.2 133,-0.1 0.590 111.3 45.7 -82.4 -12.9 65.7 39.7 32.8 12 12 A G S S- 0 0 49 132,-0.6 -2,-0.4 2,-0.2 25,-0.0 -0.078 110.1 -73.5-109.0-153.6 62.8 41.7 34.5 13 13 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.493 88.4 116.6 -84.0 -6.6 59.1 41.1 35.0 14 14 A V + 0 0 8 23,-0.2 -4,-0.4 130,-0.2 2,-0.3 -0.445 36.1 140.6 -71.4 125.2 58.1 41.7 31.4 15 15 A Q E + D 0 36A 91 21,-1.6 21,-3.1 -2,-0.3 2,-0.3 -0.987 12.6 147.7-155.6 164.6 56.6 38.6 29.8 16 16 A G E -AD 8 35A 13 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.4 -0.980 38.0-112.7 178.8 174.7 53.9 37.8 27.4 17 17 A I E -AD 7 34A 70 17,-1.8 17,-1.7 -2,-0.3 2,-0.5 -0.998 26.2-168.3-134.1 124.1 52.6 35.5 24.6 18 18 A I E -AD 6 33A 0 -12,-2.6 -12,-2.1 -2,-0.4 2,-0.3 -0.972 5.2-157.7-121.1 130.2 52.0 36.8 21.1 19 19 A N E -AD 5 32A 48 13,-3.3 13,-2.2 -2,-0.5 2,-0.4 -0.770 2.9-162.7-104.4 150.5 50.1 34.9 18.4 20 20 A F E +AD 4 31A 1 -16,-2.2 -16,-2.1 -2,-0.3 2,-0.4 -0.993 7.8 179.7-130.6 139.0 50.4 35.3 14.6 21 21 A E E -AD 3 30A 47 9,-2.1 9,-2.7 -2,-0.4 2,-0.4 -0.994 7.9-178.7-141.9 136.0 47.9 34.1 12.0 22 22 A Q E -A 2 0A 3 -20,-3.0 -20,-4.0 -2,-0.4 7,-0.1 -0.902 4.4-173.6-138.9 104.3 48.1 34.5 8.2 23 23 A K S S+ 0 0 135 5,-0.4 2,-0.4 -2,-0.4 -1,-0.1 0.838 77.4 29.2 -67.6 -41.9 45.1 33.0 6.3 24 24 A E S > S- 0 0 127 4,-0.3 3,-2.7 -23,-0.1 -1,-0.2 -0.970 76.4-130.9-124.3 140.1 46.6 33.6 2.9 25 25 A S T 3 S+ 0 0 81 -2,-0.4 82,-0.2 1,-0.3 -1,-0.1 0.766 113.6 41.1 -61.3 -20.6 50.3 33.7 2.0 26 26 A N T 3 S+ 0 0 144 2,-0.1 -1,-0.3 79,-0.0 -3,-0.0 0.250 106.5 85.1-110.6 18.9 49.8 36.9 0.1 27 27 A G S < S- 0 0 22 -3,-2.7 2,-0.0 1,-0.2 0, 0.0 -0.446 85.9 -75.8-106.8-178.3 47.5 38.4 2.8 28 28 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 -5,-0.4 -0.323 39.3-121.0 -77.3 162.8 48.0 40.3 6.0 29 29 A V E - E 0 101A 0 72,-3.2 72,-2.7 75,-0.2 2,-0.4 -0.923 14.5-144.1-105.8 130.0 49.1 38.9 9.3 30 30 A K E -DE 21 100A 92 -9,-2.7 -9,-2.1 -2,-0.5 2,-0.5 -0.760 17.0-169.9 -88.5 130.8 47.1 39.2 12.5 31 31 A V E +DE 20 99A 1 68,-2.8 68,-2.7 -2,-0.4 2,-0.3 -0.982 18.6 148.9-124.5 121.2 49.1 39.7 15.6 32 32 A W E +DE 19 98A 99 -13,-2.2 -13,-3.3 -2,-0.5 2,-0.3 -1.000 10.6 92.2-155.9 151.9 47.5 39.5 19.0 33 33 A G E -DE 18 97A 18 64,-1.9 64,-2.4 -2,-0.3 2,-0.3 -0.982 58.1 -78.7 162.7-147.8 48.1 38.5 22.6 34 34 A S E -DE 17 96A 42 -17,-1.7 -17,-1.8 -2,-0.3 2,-0.4 -0.996 20.3-162.1-149.5 149.8 49.2 40.2 25.8 35 35 A I E -DE 16 95A 0 60,-2.1 60,-3.3 -2,-0.3 -19,-0.3 -0.999 16.3-170.4-131.1 133.9 52.3 41.4 27.6 36 36 A K E +D 15 0A 115 -21,-3.1 -21,-1.6 -2,-0.4 58,-0.2 -0.711 57.1 51.8-120.3 170.7 52.5 42.2 31.3 37 37 A G S S+ 0 0 35 55,-0.3 -23,-0.2 1,-0.3 2,-0.2 0.572 76.7 133.8 82.9 10.1 55.0 43.8 33.7 38 38 A L - 0 0 8 55,-2.1 -1,-0.3 -3,-0.2 2,-0.1 -0.625 62.3-108.7 -90.6 152.0 55.3 47.0 31.6 39 39 A T - 0 0 100 -2,-0.2 50,-0.3 82,-0.2 -1,-0.1 -0.441 53.2 -88.3 -69.0 153.4 55.2 50.6 32.8 40 40 A E S S+ 0 0 139 51,-0.2 2,-0.3 -2,-0.1 50,-0.2 -0.326 93.2 42.4 -59.7 138.1 52.0 52.3 31.7 41 41 A G E S-F 89 0A 27 48,-2.6 48,-2.8 -3,-0.1 2,-0.2 -0.813 96.8 -20.9 124.3-170.5 52.3 53.9 28.3 42 42 A L E -F 88 0A 83 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.562 48.7-172.0 -84.8 142.0 53.8 53.2 24.8 43 43 A H E -F 87 0A 2 44,-2.5 44,-2.8 -2,-0.2 80,-0.3 -0.988 28.4-113.5-135.7 127.0 56.5 50.6 24.2 44 44 A G E -F 86 0A 0 78,-2.5 76,-2.5 -2,-0.4 2,-0.3 -0.105 32.6-168.3 -53.7 145.5 58.4 50.0 20.9 45 45 A F E + G 0 119A 0 40,-1.9 39,-1.4 74,-0.2 2,-0.3 -0.926 17.4 149.7-148.2 108.3 57.6 46.6 19.4 46 46 A H E -FG 83 118A 0 72,-2.0 72,-2.8 -2,-0.3 2,-0.6 -0.969 46.4-115.4-143.8 159.6 59.6 45.1 16.5 47 47 A V E - G 0 117A 0 35,-2.2 17,-3.0 -2,-0.3 70,-0.2 -0.857 36.9-153.2 -90.7 123.6 60.9 41.9 14.8 48 48 A H E -HG 63 116A 0 68,-3.6 68,-1.7 -2,-0.6 15,-0.3 -0.657 22.4-109.6 -97.9 159.5 64.7 41.9 15.0 49 49 A E S S+ 0 0 62 13,-2.7 2,-0.4 -2,-0.2 12,-0.2 0.834 91.6 51.0 -64.0 -42.3 66.8 40.1 12.4 50 50 A F - 0 0 15 10,-2.7 2,-1.2 12,-0.2 256,-0.2 -0.809 60.9-147.8-108.2 140.1 68.3 37.1 14.3 51 51 A G + 0 0 2 254,-1.9 2,-0.6 63,-0.6 253,-0.3 -0.423 58.6 133.0 -91.9 55.2 66.5 34.5 16.4 52 52 A D + 0 0 11 -2,-1.2 3,-0.3 7,-0.1 7,-0.1 -0.942 25.5 167.5-114.1 108.9 69.6 34.3 18.6 53 53 A N > + 0 0 50 -2,-0.6 3,-1.8 1,-0.2 5,-0.1 0.070 43.2 113.9-107.0 19.6 68.9 34.5 22.3 54 54 A T T 3 S+ 0 0 13 1,-0.3 1269,-2.1 5,-0.1 1270,-0.2 0.777 91.9 30.0 -66.0 -24.6 72.4 33.4 23.4 55 55 A A T > S- 0 0 1 1,-0.6 3,-1.5 1267,-0.3 -1,-0.3 -0.247 119.8-111.4-116.4 37.9 72.9 36.9 24.9 56 56 A G G X S- 0 0 27 -3,-1.8 3,-0.8 1,-0.3 -1,-0.6 -0.379 82.1 -21.8 60.8-141.1 69.2 37.3 25.8 57 57 A a G > S+ 0 0 13 1,-0.2 3,-1.5 86,-0.2 -1,-0.3 0.735 129.6 77.2 -74.2 -15.0 67.7 40.0 23.6 58 58 A T G X S+ 0 0 62 -3,-1.5 3,-0.8 1,-0.3 1216,-0.4 0.825 88.8 54.0 -66.4 -29.7 71.0 41.6 22.9 59 59 A S G < S+ 0 0 0 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.482 82.1 91.7 -85.9 3.1 72.1 39.0 20.4 60 60 A A G < S- 0 0 0 -3,-1.5 -10,-2.7 1,-0.2 -1,-0.2 0.605 82.0-145.4 -74.4 -9.2 69.0 39.5 18.3 61 61 A G < - 0 0 3 -3,-0.8 -1,-0.2 -12,-0.2 3,-0.1 -0.282 37.2 -35.0 80.9-169.3 70.7 42.2 16.1 62 62 A P S S- 0 0 64 0, 0.0 -13,-2.7 0, 0.0 -12,-0.2 -0.068 87.2 -57.5 -79.3-178.3 69.0 45.2 14.6 63 63 A H B -H 48 0A 8 73,-0.3 -15,-0.3 -15,-0.3 2,-0.3 -0.365 68.0 -95.0 -58.7 142.9 65.4 45.5 13.3 64 64 A F + 0 0 5 -17,-3.0 18,-2.4 52,-0.2 17,-0.3 -0.466 57.8 165.5 -62.7 118.7 64.7 43.0 10.5 65 65 A N > + 0 0 41 -2,-0.3 3,-1.5 15,-0.2 -1,-0.1 -0.486 14.1 159.3-140.9 64.8 65.4 45.1 7.4 66 66 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.708 80.0 51.1 -63.9 -21.0 65.7 43.0 4.2 67 67 A L T 3 S- 0 0 88 12,-0.1 13,-0.0 2,-0.0 -2,-0.0 0.407 107.2-123.6-100.5 4.9 65.0 46.0 1.9 68 68 A S < + 0 0 76 -3,-1.5 2,-0.2 1,-0.2 12,-0.1 0.908 57.8 145.8 60.0 50.8 67.5 48.2 3.5 69 69 A R - 0 0 79 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.565 51.1 -90.2-109.0 175.7 65.2 51.1 4.4 70 70 A K - 0 0 104 -2,-0.2 66,-0.2 1,-0.1 -1,-0.1 -0.465 52.4 -87.2 -79.0 156.9 65.1 53.6 7.3 71 71 A H + 0 0 5 64,-2.4 2,-0.2 8,-0.2 -1,-0.1 -0.399 61.8 151.8 -61.8 140.9 63.2 52.9 10.6 72 72 A G - 0 0 1 8,-0.1 13,-0.3 64,-0.1 55,-0.3 -0.846 46.7 -74.4-150.6-173.5 59.5 54.0 10.4 73 73 A G > - 0 0 2 53,-0.7 3,-1.8 -2,-0.2 10,-0.1 -0.483 52.0-103.5 -81.6 164.1 56.0 53.3 11.8 74 74 A P T 3 S+ 0 0 33 0, 0.0 28,-0.2 0, 0.0 -1,-0.1 0.793 122.0 51.1 -63.7 -24.0 54.1 50.2 10.5 75 75 A K T 3 S+ 0 0 156 3,-0.1 2,-0.2 26,-0.1 3,-0.1 0.413 89.0 100.3 -95.8 5.6 51.9 52.3 8.3 76 76 A D < - 0 0 51 -3,-1.8 -4,-0.1 1,-0.1 3,-0.0 -0.632 69.1-141.3 -84.1 146.3 54.8 54.2 6.7 77 77 A E S S+ 0 0 143 -2,-0.2 2,-1.1 1,-0.2 -1,-0.1 0.891 98.5 63.4 -72.6 -35.2 56.0 53.2 3.2 78 78 A E S S+ 0 0 82 -7,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.756 82.8 115.9 -86.4 100.5 59.5 53.8 4.4 79 79 A R - 0 0 7 -2,-1.1 -8,-0.2 -7,-0.1 2,-0.2 -0.982 68.8 -99.5-153.0 159.6 60.0 51.2 7.2 80 80 A H > - 0 0 14 -2,-0.3 3,-1.9 -8,-0.2 -15,-0.2 -0.540 38.7-120.8 -64.8 144.3 61.9 48.2 8.3 81 81 A V T 3 S+ 0 0 11 -17,-0.3 -16,-0.2 1,-0.3 -1,-0.1 0.896 114.8 57.2 -56.0 -31.8 59.9 45.0 7.6 82 82 A G T 3 S+ 0 0 0 -18,-2.4 -35,-2.2 -35,-0.2 2,-1.0 0.482 77.0 115.3 -79.3 0.4 60.3 44.4 11.4 83 83 A D E < +F 46 0A 0 -3,-1.9 -37,-0.2 -19,-0.2 21,-0.1 -0.558 25.2 159.7 -79.8 104.6 58.7 47.7 12.4 84 84 A L E - 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