==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-FEB-99 1CBJ . COMPND 2 MOLECULE: PROTEIN (SUPEROXIDE DISMUTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.A.HOUGH,S.S.HASNAIN . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 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 . 106 35.1 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.0 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+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 . 6 2 0 2 4 2 2 0 2 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 0 0 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 62 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 148.9 -5.3 30.2 58.2 2 2 A T + 0 0 93 1,-0.2 20,-2.7 148,-0.2 2,-0.3 0.569 360.0 33.8-109.1 -20.4 -8.0 28.8 60.5 3 3 A K E +A 21 0A 36 147,-0.3 147,-2.1 18,-0.2 2,-0.3 -0.993 62.3 173.0-140.3 146.1 -6.3 25.4 61.2 4 4 A A E -AB 20 149A 1 16,-2.1 16,-2.5 -2,-0.3 2,-0.3 -0.910 10.6-157.5-145.0 168.9 -2.7 24.2 61.5 5 5 A V E -AB 19 148A 1 143,-2.3 143,-3.0 -2,-0.3 2,-0.4 -0.987 2.2-165.5-149.3 154.0 -0.8 21.1 62.4 6 6 A C E -A 18 0A 2 12,-2.3 12,-2.7 -2,-0.3 2,-0.5 -0.986 9.3-153.7-143.1 132.2 2.7 20.1 63.6 7 7 A V E -A 17 0A 44 139,-0.4 2,-0.5 -2,-0.4 10,-0.2 -0.962 19.2-146.5-107.9 123.7 4.3 16.7 63.7 8 8 A L E +A 16 0A 0 8,-2.8 8,-1.6 -2,-0.5 2,-0.3 -0.810 27.4 160.5 -92.3 127.3 7.0 16.5 66.5 9 9 A K B +C 144 0A 66 135,-2.2 135,-2.2 -2,-0.5 2,-0.2 -0.973 5.0 162.2-139.9 159.2 10.0 14.4 65.9 10 10 A G - 0 0 34 4,-0.4 133,-0.1 2,-0.4 132,-0.1 -0.790 54.1 -82.2-155.0-166.0 13.5 14.1 67.3 11 11 A D S S+ 0 0 171 -2,-0.2 132,-0.1 131,-0.2 131,-0.1 0.639 109.7 52.1 -84.3 -15.0 16.6 11.9 67.7 12 12 A G S S- 0 0 50 130,-0.6 -2,-0.4 2,-0.1 23,-0.0 -0.083 108.9 -78.1-101.1-156.7 15.0 9.9 70.5 13 13 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 21,-0.1 0.453 87.1 113.9 -87.4 -4.4 11.7 8.1 70.9 14 14 A V + 0 0 10 128,-0.2 -4,-0.4 21,-0.1 2,-0.3 -0.526 36.4 151.6 -73.2 132.3 9.5 11.2 71.6 15 15 A Q E + D 0 34A 118 19,-1.8 19,-2.9 -2,-0.3 2,-0.3 -0.965 8.6 154.5-151.7 164.2 7.0 11.9 68.8 16 16 A G E -AD 8 33A 11 -8,-1.6 -8,-2.8 -2,-0.3 2,-0.4 -0.971 34.1-121.3-178.9 168.6 3.5 13.5 68.5 17 17 A T E -AD 7 32A 45 15,-1.8 15,-1.6 -2,-0.3 2,-0.4 -0.999 24.2-169.9-131.2 125.4 0.9 15.3 66.5 18 18 A I E -AD 6 31A 0 -12,-2.7 -12,-2.3 -2,-0.4 2,-0.3 -0.951 3.2-162.2-118.3 134.3 -0.4 18.7 67.5 19 19 A H E -AD 5 30A 85 11,-3.2 11,-2.4 -2,-0.4 2,-0.4 -0.884 2.1-160.7-114.5 149.7 -3.4 20.4 66.0 20 20 A F E -AD 4 29A 2 -16,-2.5 -16,-2.1 -2,-0.3 2,-0.4 -0.992 7.9-178.3-131.5 135.2 -4.3 24.1 66.2 21 21 A E E -AD 3 28A 109 7,-2.1 7,-3.1 -2,-0.4 2,-0.4 -0.989 24.5-131.2-138.0 129.8 -7.7 25.7 65.5 22 22 A A E + D 0 27A 34 -20,-2.7 2,-0.4 -2,-0.4 5,-0.2 -0.642 30.7 172.7 -75.1 132.1 -8.7 29.4 65.6 23 23 A K E > - D 0 26A 132 3,-2.4 3,-2.1 -2,-0.4 2,-0.1 -0.935 60.7 -45.9-141.7 111.3 -11.8 29.9 67.7 24 24 A G T 3 S- 0 0 85 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.411 121.7 -26.6 65.2-132.4 -12.9 33.5 68.4 25 25 A D T 3 S+ 0 0 142 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.083 127.8 78.3-102.4 28.3 -9.8 35.4 69.5 26 26 A T E < S-D 23 0A 29 -3,-2.1 -3,-2.4 75,-0.0 2,-0.4 -0.784 70.9-131.7-125.6 170.6 -8.1 32.3 70.8 27 27 A V E -DE 22 99A 3 72,-2.3 72,-2.4 -2,-0.3 2,-0.5 -0.989 17.9-147.5-121.6 130.4 -6.2 29.3 69.4 28 28 A V E -DE 21 98A 19 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.5 -0.891 12.4-162.2 -97.9 123.9 -7.2 25.8 70.6 29 29 A V E +DE 20 97A 0 68,-3.2 68,-2.5 -2,-0.5 2,-0.3 -0.935 19.0 161.4-113.0 119.8 -4.2 23.4 70.8 30 30 A T E +DE 19 96A 51 -11,-2.4 -11,-3.2 -2,-0.5 2,-0.3 -0.883 16.3 90.1-131.0 167.4 -5.0 19.7 70.9 31 31 A G E -DE 18 95A 20 64,-1.2 64,-2.6 -2,-0.3 2,-0.3 -0.940 56.3 -92.6 144.9-164.9 -3.1 16.5 70.2 32 32 A S E -DE 17 94A 48 -15,-1.6 -15,-1.8 -2,-0.3 2,-0.4 -0.990 16.5-157.4-151.8 151.4 -0.9 13.9 72.0 33 33 A I E -DE 16 93A 0 60,-2.2 60,-2.9 -2,-0.3 2,-0.3 -0.987 16.2-168.7-129.5 135.3 2.8 13.3 72.5 34 34 A T E +D 15 0A 52 -19,-2.9 -19,-1.8 -2,-0.4 58,-0.2 -0.820 57.6 48.0-123.3 168.3 4.2 9.8 73.3 35 35 A G S S+ 0 0 39 55,-0.4 2,-0.2 -2,-0.3 57,-0.2 0.560 77.2 134.5 85.1 8.1 7.5 8.5 74.5 36 36 A L - 0 0 10 55,-1.8 -1,-0.3 -3,-0.1 2,-0.2 -0.513 61.9-106.7 -89.0 161.1 8.0 11.0 77.3 37 37 A T - 0 0 101 -2,-0.2 50,-0.3 82,-0.1 -1,-0.1 -0.549 53.4 -89.9 -81.2 142.4 9.0 10.3 80.9 38 38 A E S S+ 0 0 141 51,-0.2 2,-0.2 -2,-0.2 50,-0.2 -0.267 92.0 43.6 -55.2 147.2 6.1 10.6 83.3 39 39 A G E S-F 87 0A 31 48,-2.5 48,-3.1 -3,-0.1 2,-0.2 -0.647 97.4 -24.6 115.6-170.9 5.5 14.2 84.7 40 40 A D E -F 86 0A 63 46,-0.2 2,-0.4 -2,-0.2 46,-0.2 -0.464 48.1-171.3 -84.0 145.4 5.6 17.7 83.3 41 41 A H E -F 85 0A 2 44,-2.6 44,-2.6 -2,-0.2 78,-0.1 -0.998 28.9-112.3-138.1 129.0 7.4 18.8 80.2 42 42 A G E -F 84 0A 0 78,-2.2 76,-2.8 -2,-0.4 2,-0.4 -0.352 32.4-168.1 -59.2 144.9 7.9 22.4 78.9 43 43 A F E + G 0 117A 0 40,-2.3 39,-1.2 74,-0.2 2,-0.3 -0.973 17.7 153.3-144.6 108.9 6.0 23.1 75.7 44 44 A H E -FG 81 116A 0 72,-2.1 72,-2.5 -2,-0.4 2,-0.6 -0.981 45.5-115.3-139.7 160.7 6.7 26.3 73.7 45 45 A V E - G 0 115A 0 35,-2.0 17,-2.6 -2,-0.3 2,-0.2 -0.856 36.3-154.4 -92.2 123.8 6.6 27.9 70.3 46 46 A H E -HG 61 114A 0 68,-3.1 68,-1.7 -2,-0.6 15,-0.3 -0.643 21.7-110.5 -95.9 161.4 10.2 28.8 69.2 47 47 A Q S S+ 0 0 64 13,-2.9 2,-0.4 -2,-0.2 12,-0.2 0.831 87.9 50.4 -63.9 -48.0 11.0 31.5 66.8 48 48 A F - 0 0 22 10,-2.9 2,-0.7 12,-0.2 254,-0.2 -0.788 59.7-146.1-107.7 149.4 12.2 29.9 63.7 49 49 A G + 0 0 2 252,-2.0 2,-0.6 63,-0.4 251,-0.3 -0.298 60.4 129.3 -96.8 48.0 10.8 27.1 61.5 50 50 A D + 0 0 29 -2,-0.7 3,-0.3 7,-0.2 -2,-0.1 -0.924 27.7 169.1-113.6 111.8 14.4 26.0 60.7 51 51 A N > + 0 0 45 -2,-0.6 3,-1.3 1,-0.2 -1,-0.1 0.060 43.9 114.0-108.2 25.1 15.1 22.3 61.2 52 52 A T T 3 S+ 0 0 63 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.831 90.1 31.5 -66.3 -32.9 18.5 22.3 59.5 53 53 A Q T > S- 0 0 142 1,-0.5 3,-1.2 -3,-0.3 4,-0.4 -0.352 119.7-106.6-114.7 46.6 20.3 21.6 62.8 54 54 A G T < S- 0 0 28 -3,-1.3 -1,-0.5 1,-0.3 3,-0.4 -0.343 82.1 -25.7 64.1-140.3 17.4 19.5 64.4 55 55 A a T > S+ 0 0 14 1,-0.2 3,-1.3 86,-0.2 -1,-0.3 0.669 128.4 76.9 -81.3 -13.8 15.6 21.4 67.1 56 56 A T G X S+ 0 0 100 -3,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.894 87.8 57.7 -64.9 -34.2 18.6 23.6 67.9 57 57 A S G 3 S+ 0 0 20 -3,-0.4 -1,-0.3 -4,-0.4 -7,-0.2 0.548 81.6 86.9 -77.7 -1.3 18.1 25.8 64.9 58 58 A A G < S- 0 0 0 -3,-1.3 -10,-2.9 1,-0.2 -1,-0.3 0.668 86.1-150.7 -71.3 -12.8 14.6 26.7 66.0 59 59 A G < - 0 0 18 -3,-1.4 -1,-0.2 -12,-0.2 3,-0.1 -0.338 33.6 -31.9 77.3-166.9 16.1 29.6 68.1 60 60 A P S S- 0 0 72 0, 0.0 -13,-2.9 0, 0.0 -12,-0.2 -0.012 86.2 -58.5 -81.4-177.4 14.7 30.9 71.3 61 61 A H B -H 46 0A 10 -15,-0.3 2,-0.3 73,-0.2 -15,-0.3 -0.404 65.3 -95.1 -65.4 144.7 11.1 31.2 72.4 62 62 A F + 0 0 9 -17,-2.6 18,-2.7 16,-0.1 17,-0.2 -0.545 58.1 161.9 -61.9 120.0 8.9 33.3 70.1 63 63 A N > + 0 0 47 -2,-0.3 3,-1.7 15,-0.2 -1,-0.1 -0.491 14.5 158.4-146.4 69.7 8.9 36.7 71.7 64 64 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.680 80.7 52.9 -69.9 -17.4 7.9 39.6 69.5 65 65 A L T 3 S- 0 0 77 2,-0.0 13,-0.0 0, 0.0 -2,-0.0 0.263 106.7-124.3-102.4 8.3 7.0 41.8 72.4 66 66 A S < + 0 0 106 -3,-1.7 2,-0.2 1,-0.2 12,-0.1 0.907 56.6 147.3 49.9 58.7 10.4 41.4 74.1 67 67 A K - 0 0 69 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.645 49.6 -97.0-110.7 170.9 9.2 40.2 77.5 68 68 A K - 0 0 119 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.438 51.8 -82.8 -83.8 166.6 10.7 37.8 80.0 69 69 A H + 0 0 7 64,-2.8 2,-0.2 8,-0.2 -1,-0.1 -0.420 61.2 148.9 -69.0 143.9 9.7 34.1 80.2 70 70 A G - 0 0 1 8,-0.1 13,-0.3 -2,-0.1 55,-0.3 -0.821 46.1 -79.5-154.6-169.7 6.5 33.3 82.1 71 71 A G > - 0 0 2 53,-0.5 3,-1.6 -2,-0.2 10,-0.1 -0.551 51.9 -96.6 -96.0 170.5 3.7 30.8 82.3 72 72 A P T 3 S+ 0 0 37 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.802 122.2 49.4 -59.3 -29.1 0.6 31.0 80.0 73 73 A K T 3 S+ 0 0 186 3,-0.0 2,-0.1 26,-0.0 4,-0.1 0.500 91.7 102.7 -90.7 -1.8 -1.6 32.9 82.5 74 74 A D < - 0 0 44 -3,-1.6 -4,-0.1 1,-0.1 3,-0.1 -0.450 67.9-141.6 -81.8 152.0 1.1 35.5 83.3 75 75 A E S S+ 0 0 176 1,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.892 98.3 59.4 -74.7 -40.7 1.1 39.0 81.9 76 76 A E S S+ 0 0 84 -7,-0.1 2,-0.3 -9,-0.1 -5,-0.2 -0.785 82.7 114.7 -94.7 97.5 4.9 38.9 81.6 77 77 A R - 0 0 14 -2,-1.0 2,-0.2 -7,-0.1 -8,-0.2 -0.982 67.8-100.0-153.3 164.7 5.4 36.0 79.2 78 78 A H > - 0 0 14 -2,-0.3 3,-1.8 -8,-0.2 -15,-0.2 -0.653 36.5-118.1 -83.3 153.4 6.8 35.2 75.7 79 79 A V T 3 S+ 0 0 5 1,-0.3 23,-0.2 -17,-0.2 -16,-0.2 0.887 116.2 55.5 -58.3 -38.9 4.1 34.8 73.1 80 80 A G T 3 S+ 0 0 0 -18,-2.7 -35,-2.0 -35,-0.1 2,-1.2 0.464 77.1 113.6 -70.7 -3.2 5.5 31.2 72.7 81 81 A D E < +F 44 0A 0 -3,-1.8 -37,-0.2 -19,-0.2 3,-0.1 -0.572 26.5 159.3 -79.7 101.3 5.1 30.2 76.4 82 82 A L E - 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