==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-98 1FUN . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.P.LO,J.A.TAINER,E.D.GETZOFF . 1530 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1015 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 511 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 0.9 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 150 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 2 3 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 . 10 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 . 29 11 6 11 23 6 12 5 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 3 5 0 0 0 1 4 1 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 57 0, 0.0 105,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 168.7 53.7 29.0 8.1 2 2 A T + 0 0 73 1,-0.3 20,-2.5 150,-0.2 2,-0.4 0.655 360.0 31.9-109.9 -30.8 50.1 30.1 8.6 3 3 A K E +A 21 0A 78 149,-0.3 149,-1.6 18,-0.2 -1,-0.3 -0.966 65.3 169.0-129.5 143.7 50.4 30.4 12.4 4 4 A A E -AB 20 151A 1 16,-2.1 16,-2.1 -2,-0.4 2,-0.3 -0.943 12.8-156.8-145.0 162.8 53.3 31.4 14.6 5 5 A V E -AB 19 150A 2 145,-2.7 145,-2.7 -2,-0.3 2,-0.4 -0.985 3.9-160.6-143.8 152.1 53.8 32.3 18.3 6 6 A A E -A 18 0A 1 12,-2.7 12,-2.8 -2,-0.3 2,-0.7 -0.997 7.0-155.9-136.4 128.4 56.3 34.2 20.4 7 7 A V E -A 17 0A 40 -2,-0.4 2,-0.5 141,-0.4 10,-0.2 -0.943 20.7-144.5-105.5 109.4 56.8 33.8 24.2 8 8 A L E +A 16 0A 0 8,-3.3 8,-1.2 -2,-0.7 2,-0.3 -0.668 30.0 158.9 -81.2 119.8 58.3 37.0 25.5 9 9 A K B +C 146 0A 88 137,-2.2 137,-2.5 -2,-0.5 2,-0.3 -0.894 4.8 159.5-134.0 164.6 60.8 36.7 28.3 10 10 A G - 0 0 39 -2,-0.3 135,-0.1 2,-0.3 134,-0.1 -0.929 54.7 -85.5-167.3-175.5 63.5 38.9 29.7 11 11 A D S S+ 0 0 158 -2,-0.3 134,-0.1 133,-0.2 133,-0.1 0.208 107.0 59.7 -91.0 9.7 65.7 39.6 32.7 12 12 A G S S- 0 0 41 132,-0.5 -2,-0.3 2,-0.3 132,-0.0 -0.297 107.6 -81.9-116.4-156.7 63.0 41.8 34.2 13 13 A P S S+ 0 0 88 0, 0.0 2,-0.1 0, 0.0 25,-0.1 0.591 90.7 111.0 -89.1 -7.2 59.3 41.3 35.3 14 14 A V + 0 0 6 23,-0.2 2,-0.3 130,-0.2 -2,-0.3 -0.405 36.3 134.8 -73.9 137.5 58.0 41.7 31.7 15 15 A Q E + D 0 36A 66 21,-2.0 21,-3.1 -2,-0.1 2,-0.3 -0.970 10.0 139.8-171.7 163.5 56.5 38.8 29.8 16 16 A G E -AD 8 35A 18 -8,-1.2 -8,-3.3 -2,-0.3 2,-0.5 -0.928 42.6 -93.2 167.1 173.6 53.7 37.6 27.5 17 17 A I E -AD 7 34A 68 17,-1.0 17,-0.9 -2,-0.3 2,-0.4 -0.945 28.7-168.3-119.7 118.9 52.5 35.6 24.5 18 18 A I E -AD 6 33A 0 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.3 -0.896 6.9-163.3-108.3 134.5 52.2 37.1 21.0 19 19 A N E -AD 5 32A 50 13,-2.8 13,-2.8 -2,-0.4 2,-0.4 -0.828 5.2-165.9-114.4 153.9 50.4 35.2 18.2 20 20 A F E -AD 4 31A 1 -16,-2.1 -16,-2.1 -2,-0.3 2,-0.3 -0.987 4.8-175.9-136.8 143.4 50.5 35.7 14.5 21 21 A E E -AD 3 30A 39 9,-1.6 9,-2.9 -2,-0.4 2,-0.4 -0.990 6.1-170.6-140.5 142.0 48.1 34.2 11.9 22 22 A Q - 0 0 5 -20,-2.5 7,-0.1 -2,-0.3 3,-0.1 -0.934 7.1-166.6-137.5 108.0 48.2 34.5 8.1 23 23 A K S S+ 0 0 143 5,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.849 77.7 11.3 -61.4 -41.6 45.2 33.2 6.1 24 24 A E S > S- 0 0 126 4,-0.2 3,-2.9 -22,-0.1 -1,-0.2 -0.997 80.1-109.2-142.7 146.0 47.0 33.3 2.7 25 25 A S T 3 S+ 0 0 90 -2,-0.3 82,-0.1 1,-0.3 81,-0.1 0.706 117.6 39.6 -42.8 -34.4 50.7 33.7 1.6 26 26 A N T 3 S+ 0 0 145 79,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.359 100.8 91.6-103.5 8.8 50.0 37.2 0.2 27 27 A G S < S- 0 0 14 -3,-2.9 2,-0.2 1,-0.1 74,-0.0 -0.235 82.7 -78.4 -93.1-177.1 47.7 38.5 2.8 28 28 A P - 0 0 56 0, 0.0 -5,-0.5 0, 0.0 2,-0.5 -0.489 41.0-118.0 -82.2 151.2 48.2 40.5 6.0 29 29 A V E - E 0 101A 0 72,-3.4 72,-2.6 75,-0.3 2,-0.6 -0.774 16.4-140.7 -93.0 127.5 49.4 39.0 9.3 30 30 A K E -DE 21 100A 93 -9,-2.9 -9,-1.6 -2,-0.5 2,-0.5 -0.814 20.6-167.1 -84.2 121.0 47.1 39.2 12.3 31 31 A V E +DE 20 99A 2 68,-2.5 68,-2.0 -2,-0.6 2,-0.3 -0.946 20.4 151.3-110.4 122.9 49.3 39.9 15.4 32 32 A W E +DE 19 98A 101 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.3 -0.993 10.0 83.0-156.1 152.2 47.7 39.5 18.8 33 33 A G E -DE 18 97A 16 64,-1.7 64,-2.9 -2,-0.3 2,-0.3 -0.926 57.4 -88.7 150.5-169.3 48.2 38.7 22.5 34 34 A S E -DE 17 96A 48 -17,-0.9 -17,-1.0 -2,-0.3 2,-0.3 -0.961 15.6-150.9-141.5 158.4 49.3 40.6 25.6 35 35 A I E -DE 16 95A 0 60,-2.0 60,-2.7 -2,-0.3 2,-0.3 -0.911 15.3-165.6-121.7 147.4 52.3 41.6 27.6 36 36 A K E +D 15 0A 99 -21,-3.1 -21,-2.0 -2,-0.3 58,-0.2 -0.903 61.0 50.1-131.1 159.3 52.4 42.2 31.4 37 37 A G S S+ 0 0 29 -2,-0.3 -23,-0.2 55,-0.3 2,-0.2 0.590 77.9 130.2 90.0 13.2 54.9 43.8 33.7 38 38 A L - 0 0 11 55,-2.3 -1,-0.3 -3,-0.2 2,-0.3 -0.520 64.1-104.6 -96.5 163.5 55.2 46.9 31.6 39 39 A T - 0 0 94 -2,-0.2 50,-0.4 82,-0.1 52,-0.1 -0.647 51.4 -90.7 -84.4 145.6 55.0 50.5 32.8 40 40 A E S S+ 0 0 130 -2,-0.3 2,-0.3 51,-0.1 50,-0.2 -0.366 90.6 54.5 -56.4 128.8 51.8 52.3 31.8 41 41 A G E S-F 89 0A 22 48,-2.0 48,-2.5 -2,-0.1 2,-0.2 -0.848 93.8 -35.9 140.2-177.4 52.3 53.9 28.4 42 42 A L E -F 88 0A 86 -2,-0.3 2,-0.4 46,-0.2 46,-0.3 -0.535 53.6-165.7 -76.6 149.9 53.4 53.3 24.8 43 43 A H E -F 87 0A 1 44,-2.4 44,-2.4 -2,-0.2 80,-0.3 -0.993 26.5-107.3-143.0 130.7 56.2 50.8 24.2 44 44 A G E -F 86 0A 0 78,-2.5 76,-3.0 -2,-0.4 2,-0.4 -0.307 35.8-173.2 -54.0 134.3 58.4 50.2 21.1 45 45 A F E + G 0 119A 0 40,-2.2 39,-1.0 74,-0.2 2,-0.3 -0.907 18.5 148.2-138.1 102.1 57.4 46.9 19.5 46 46 A H E -FG 83 118A 0 72,-1.6 72,-2.9 -2,-0.4 2,-0.6 -0.915 46.2-119.8-134.4 164.8 59.6 45.6 16.7 47 47 A V E - G 0 117A 0 35,-3.1 17,-2.8 -2,-0.3 2,-0.3 -0.895 34.4-152.6-104.4 121.3 60.8 42.5 15.0 48 48 A H E -HG 63 116A 3 68,-3.5 68,-1.4 -2,-0.6 15,-0.3 -0.680 21.0-108.2 -96.1 158.5 64.6 42.3 15.1 49 49 A E S S+ 0 0 61 13,-3.4 2,-0.3 -2,-0.3 12,-0.2 0.891 90.5 48.7 -48.6 -63.3 66.9 40.5 12.6 50 50 A F - 0 0 15 10,-2.4 66,-0.3 12,-0.2 256,-0.2 -0.586 57.4-150.4 -93.2 146.7 68.2 37.6 14.4 51 51 A G + 0 0 1 254,-2.5 2,-0.7 63,-0.5 253,-0.3 -0.153 57.8 135.6 -95.0 37.6 66.5 34.9 16.5 52 52 A D + 0 0 9 7,-0.3 3,-0.2 253,-0.2 -2,-0.1 -0.798 24.1 167.3 -92.2 117.7 69.8 34.7 18.5 53 53 A N > + 0 0 36 -2,-0.7 3,-1.3 1,-0.1 -1,-0.1 0.177 39.9 113.0-115.0 19.0 69.2 34.6 22.1 54 54 A T T 3 S+ 0 0 13 1,-0.3 1269,-1.9 5,-0.1 -1,-0.1 0.777 92.8 31.3 -63.3 -22.1 72.7 33.5 23.4 55 55 A A T >> S- 0 0 0 1,-0.5 3,-1.2 1267,-0.3 4,-0.6 -0.352 117.2-102.4-129.3 50.7 73.0 37.0 25.0 56 56 A G T <4 S- 0 0 37 -3,-1.3 -1,-0.5 1,-0.2 3,-0.4 -0.325 82.1 -31.3 63.4-145.3 69.4 37.9 25.9 57 57 A a T >4 S+ 0 0 13 86,-0.2 3,-1.2 1,-0.2 -1,-0.2 0.631 128.4 79.9 -82.8 -10.2 67.8 40.3 23.6 58 58 A T G X4 S+ 0 0 63 -3,-1.2 3,-1.3 1,-0.3 1216,-0.2 0.916 88.5 54.0 -60.8 -44.9 71.2 42.0 22.9 59 59 A S G 3< S+ 0 0 1 -4,-0.6 -7,-0.3 -3,-0.4 -1,-0.3 0.565 84.6 89.7 -70.0 -4.6 72.1 39.3 20.4 60 60 A A G < S- 0 0 0 -3,-1.2 -10,-2.4 -5,-0.2 -1,-0.3 0.700 82.7-149.7 -66.2 -18.5 68.9 39.9 18.5 61 61 A G < - 0 0 3 -3,-1.3 -1,-0.1 -4,-0.2 3,-0.1 -0.106 34.3 -34.3 76.4-179.7 70.6 42.5 16.3 62 62 A P S S- 0 0 71 0, 0.0 -13,-3.4 0, 0.0 -12,-0.2 -0.035 87.7 -60.4 -67.5 176.1 68.9 45.6 14.7 63 63 A H B -H 48 0A 11 -15,-0.3 -15,-0.3 73,-0.3 2,-0.3 -0.238 63.3 -95.6 -62.6 142.3 65.4 45.7 13.4 64 64 A F + 0 0 6 -17,-2.8 18,-2.6 52,-0.2 19,-0.2 -0.477 61.2 158.1 -59.7 119.4 64.6 43.2 10.6 65 65 A N > + 0 0 35 -2,-0.3 3,-1.5 16,-0.2 -1,-0.1 -0.412 12.6 162.1-150.5 70.1 65.1 45.4 7.6 66 66 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 0.904 77.7 55.3 -58.4 -45.6 65.8 43.5 4.3 67 67 A L T 3 S- 0 0 99 1,-0.1 13,-0.0 0, 0.0 -2,-0.0 0.244 106.5-124.7 -74.9 14.6 64.9 46.4 1.9 68 68 A S < + 0 0 72 -3,-1.5 2,-0.1 1,-0.1 -1,-0.1 0.837 57.2 152.4 44.8 45.1 67.5 48.6 3.7 69 69 A R - 0 0 95 10,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.450 47.6 -94.2 -97.3 171.7 64.9 51.3 4.4 70 70 A K - 0 0 115 1,-0.1 66,-0.2 -2,-0.1 -1,-0.1 -0.360 48.0 -89.0 -79.7 166.3 64.9 53.8 7.2 71 71 A H + 0 0 6 64,-1.9 2,-0.3 8,-0.2 -1,-0.1 -0.259 61.9 138.5 -69.8 163.0 63.1 53.3 10.5 72 72 A G - 0 0 0 64,-0.1 13,-0.3 -3,-0.1 55,-0.3 -0.982 52.2 -63.1 177.3-179.3 59.4 54.5 10.8 73 73 A G > - 0 0 2 53,-0.7 3,-0.6 -2,-0.3 10,-0.1 -0.409 54.4-105.1 -77.3 171.2 55.9 53.8 12.0 74 74 A P T 3 S+ 0 0 37 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.641 116.0 65.9 -73.3 -13.4 54.1 50.7 10.5 75 75 A K T 3 S+ 0 0 188 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.240 88.1 90.9-102.1 40.8 52.0 53.0 8.4 76 76 A D < - 0 0 62 -3,-0.6 3,-0.2 1,-0.2 -4,-0.1 -0.866 68.9-137.8-132.4 164.1 54.8 54.3 6.2 77 77 A E S S+ 0 0 159 -2,-0.3 2,-1.2 1,-0.3 -1,-0.2 0.931 104.1 52.9 -81.8 -60.3 56.5 53.5 2.9 78 78 A E S S+ 0 0 93 -9,-0.1 2,-0.3 -7,-0.0 -1,-0.3 -0.624 87.8 110.4 -78.6 96.4 60.0 54.1 4.3 79 79 A R S S- 0 0 8 -2,-1.2 2,-0.3 -3,-0.2 -8,-0.2 -0.930 72.4 -94.4-157.9 163.4 59.9 51.9 7.4 80 80 A H > - 0 0 17 -2,-0.3 3,-1.9 -8,-0.3 -15,-0.2 -0.656 29.3-124.2 -84.7 148.4 61.6 48.7 8.4 81 81 A V T 3 S+ 0 0 4 1,-0.3 -16,-0.2 -2,-0.3 -1,-0.1 0.903 114.3 53.7 -59.3 -33.0 59.7 45.4 7.7 82 82 A G T 3 S+ 0 0 0 -18,-2.6 -35,-3.1 -35,-0.1 2,-1.1 0.399 77.8 111.1 -82.9 3.3 60.2 44.8 11.4 83 83 A D E < +F 46 0A 0 -3,-1.9 -37,-0.2 -37,-0.2 3,-0.1 -0.669 31.4 165.9 -83.3 100.2 58.7 48.1 12.7 84 84 A L E - 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