==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAR-95 1SXB . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.R.RYPNIEWSKI,S.MANGANI,B.BRUNI,P.ORIOLI,M.CASATI, . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 64.6 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 . 104 34.4 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 . 1 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 . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.6 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 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 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 . 5 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 1 1 0 0 0 0 1 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 74 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 108.5 -5.7 30.3 58.0 2 2 A T + 0 0 96 1,-0.2 20,-2.6 148,-0.2 2,-0.3 0.556 360.0 40.7-113.9 -15.3 -8.2 28.7 60.5 3 3 A K E +A 21 0A 83 147,-0.3 147,-2.1 18,-0.2 2,-0.3 -0.998 59.6 171.4-139.2 144.2 -6.5 25.3 61.0 4 4 A A E -AB 20 149A 1 16,-2.0 16,-2.6 -2,-0.3 2,-0.3 -0.921 10.9-159.7-143.1 166.3 -3.0 24.2 61.4 5 5 A V E -AB 19 148A 1 143,-2.3 143,-2.4 -2,-0.3 2,-0.4 -0.986 1.8-166.0-147.8 154.5 -1.2 21.0 62.3 6 6 A C E -A 18 0A 2 12,-2.3 12,-2.6 -2,-0.3 2,-0.5 -0.990 9.9-152.9-143.6 139.2 2.3 20.1 63.5 7 7 A V E -A 17 0A 28 139,-0.4 2,-0.5 -2,-0.4 10,-0.2 -0.965 19.1-146.5-112.6 118.7 4.0 16.6 63.6 8 8 A L E +A 16 0A 0 8,-2.7 8,-1.4 -2,-0.5 2,-0.3 -0.757 28.3 159.3 -91.3 126.5 6.6 16.4 66.4 9 9 A K B +E 144 0B 119 135,-2.2 135,-2.5 -2,-0.5 2,-0.2 -0.969 3.2 156.1-139.6 153.8 9.7 14.3 65.8 10 10 A G - 0 0 34 4,-0.4 133,-0.2 2,-0.4 132,-0.1 -0.815 56.7 -77.1-154.8-160.3 13.2 14.2 67.3 11 11 A D S S+ 0 0 173 131,-0.3 132,-0.1 -2,-0.2 131,-0.1 0.431 108.0 52.7 -92.1 -2.5 16.1 11.8 67.8 12 12 A G S S- 0 0 48 130,-0.5 -2,-0.4 2,-0.2 130,-0.0 -0.251 109.9 -75.1-112.6-161.0 14.6 9.8 70.7 13 13 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 21,-0.1 0.501 87.9 117.3 -82.3 -3.9 11.3 8.1 71.0 14 14 A V + 0 0 8 128,-0.2 -4,-0.4 21,-0.1 2,-0.3 -0.468 34.2 150.9 -74.0 130.6 9.1 11.2 71.5 15 15 A Q E + C 0 34A 104 19,-1.9 19,-3.1 -2,-0.3 2,-0.3 -0.985 8.2 152.2-150.5 159.5 6.5 11.9 68.8 16 16 A G E -AC 8 33A 12 -8,-1.4 -8,-2.7 -2,-0.3 2,-0.4 -0.973 34.7-125.6-177.3 168.1 3.2 13.5 68.5 17 17 A T E -AC 7 32A 46 15,-1.8 15,-1.6 -2,-0.3 2,-0.4 -1.000 24.2-167.2-130.3 126.3 0.6 15.3 66.3 18 18 A I E -AC 6 31A 0 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.3 -0.949 3.0-160.8-115.6 134.4 -0.7 18.7 67.4 19 19 A H E -AC 5 30A 83 11,-3.1 11,-2.2 -2,-0.4 2,-0.4 -0.892 2.7-161.7-115.5 147.2 -3.8 20.4 65.8 20 20 A F E -AC 4 29A 3 -16,-2.6 -16,-2.0 -2,-0.3 2,-0.4 -0.980 7.8-179.0-133.1 138.8 -4.7 24.0 66.0 21 21 A E E -AC 3 28A 100 7,-1.8 7,-3.0 -2,-0.4 2,-0.4 -0.983 26.4-128.7-142.2 131.0 -8.0 25.7 65.3 22 22 A A E + C 0 27A 39 -20,-2.6 2,-0.4 -2,-0.4 5,-0.2 -0.652 30.9 176.5 -75.6 126.8 -9.0 29.4 65.5 23 23 A K E > - C 0 26A 135 3,-2.9 3,-2.2 -2,-0.4 2,-0.1 -0.929 59.6 -49.1-134.3 108.8 -12.1 29.8 67.6 24 24 A G T 3 S- 0 0 86 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.434 122.8 -24.6 64.1-130.7 -13.4 33.3 68.2 25 25 A D T 3 S+ 0 0 140 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.132 128.4 77.2-101.2 23.7 -10.3 35.3 69.3 26 26 A T E < S-C 23 0A 29 -3,-2.2 -3,-2.9 75,-0.0 2,-0.5 -0.776 71.4-129.5-126.2 172.3 -8.5 32.2 70.6 27 27 A V E -CD 22 99A 3 72,-2.7 72,-2.6 -2,-0.3 2,-0.6 -0.981 19.0-148.6-120.1 130.6 -6.5 29.2 69.3 28 28 A V E -CD 21 98A 30 -7,-3.0 -7,-1.8 -2,-0.5 2,-0.5 -0.910 13.8-161.0-100.1 122.2 -7.6 25.8 70.5 29 29 A V E +CD 20 97A 0 68,-3.4 68,-3.0 -2,-0.6 2,-0.3 -0.930 19.6 160.2-110.8 120.5 -4.6 23.4 70.7 30 30 A T E +CD 19 96A 50 -11,-2.2 -11,-3.1 -2,-0.5 2,-0.3 -0.876 15.9 85.1-134.3 165.7 -5.3 19.6 70.8 31 31 A G E -CD 18 95A 20 64,-1.1 64,-2.9 -2,-0.3 2,-0.3 -0.932 57.2 -88.9 140.3-161.3 -3.5 16.4 70.1 32 32 A S E -CD 17 94A 48 -15,-1.6 -15,-1.8 -2,-0.3 2,-0.4 -0.997 15.2-155.7-155.2 153.0 -1.2 13.9 71.8 33 33 A I E -CD 16 93A 0 60,-2.0 60,-2.8 -2,-0.3 2,-0.3 -0.988 17.5-166.7-128.3 134.7 2.5 13.2 72.4 34 34 A T E +C 15 0A 61 -19,-3.1 -19,-1.9 -2,-0.4 58,-0.2 -0.806 59.0 45.4-124.7 165.3 3.8 9.8 73.2 35 35 A G S S+ 0 0 36 55,-0.3 2,-0.2 -2,-0.3 57,-0.2 0.661 77.7 136.0 82.5 16.1 7.1 8.4 74.5 36 36 A L - 0 0 8 55,-2.0 -1,-0.3 -3,-0.2 2,-0.1 -0.620 60.8-105.4 -94.1 154.6 7.5 10.9 77.2 37 37 A T - 0 0 101 -2,-0.2 50,-0.4 1,-0.1 -1,-0.1 -0.369 53.3 -87.2 -74.3 149.8 8.5 10.3 80.8 38 38 A E S S+ 0 0 128 51,-0.2 2,-0.2 -2,-0.1 50,-0.2 -0.338 93.2 35.7 -56.1 144.9 5.7 10.6 83.2 39 39 A G E S-F 87 0B 25 48,-2.7 48,-3.4 -3,-0.1 2,-0.2 -0.675 97.1 -19.2 111.9-167.3 5.0 14.1 84.5 40 40 A D E -F 86 0B 63 46,-0.3 2,-0.4 -2,-0.2 46,-0.2 -0.550 46.1-175.1 -86.0 142.8 5.2 17.7 83.1 41 41 A H E -F 85 0B 2 44,-2.1 44,-2.6 -2,-0.2 78,-0.1 -0.996 31.1-112.9-137.9 132.6 7.0 18.9 80.1 42 42 A G E -F 84 0B 0 78,-2.5 76,-2.7 -2,-0.4 2,-0.4 -0.333 31.6-166.4 -65.4 146.9 7.4 22.5 78.9 43 43 A F E + G 0 117B 0 40,-2.3 39,-1.0 74,-0.2 2,-0.3 -0.941 18.7 156.9-139.2 110.0 5.6 23.0 75.6 44 44 A H E -FG 81 116B 0 72,-1.8 72,-2.5 -2,-0.4 2,-0.6 -0.959 45.9-116.8-140.1 161.8 6.3 26.2 73.7 45 45 A V E - G 0 115B 0 35,-1.9 17,-2.5 -2,-0.3 70,-0.3 -0.819 36.5-155.2 -92.1 121.0 6.2 27.8 70.2 46 46 A H E -HG 61 114B 2 68,-3.5 68,-1.5 -2,-0.6 15,-0.3 -0.644 22.7-109.6 -93.1 157.5 9.9 28.6 69.3 47 47 A Q S S+ 0 0 66 13,-3.5 2,-0.3 -2,-0.2 12,-0.2 0.832 88.3 51.1 -62.8 -45.0 10.6 31.4 66.8 48 48 A F - 0 0 16 10,-2.9 2,-0.6 12,-0.2 254,-0.2 -0.769 60.1-146.1-103.3 145.3 11.9 29.8 63.6 49 49 A G + 0 0 2 252,-2.2 2,-0.7 63,-0.5 251,-0.3 -0.337 61.5 131.8 -95.9 47.3 10.4 27.0 61.5 50 50 A D + 0 0 21 -2,-0.6 3,-0.3 7,-0.2 -2,-0.1 -0.886 26.0 166.4-105.8 110.3 14.1 26.1 60.8 51 51 A N > + 0 0 42 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.132 40.8 114.8-109.3 21.1 14.8 22.3 61.3 52 52 A T T 3 S+ 0 0 60 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.856 90.4 30.6 -63.5 -31.0 18.2 22.3 59.5 53 53 A Q T > S- 0 0 141 1,-0.5 3,-1.2 -3,-0.3 4,-0.3 -0.362 119.8-104.8-116.9 47.4 19.9 21.4 62.9 54 54 A G T < S- 0 0 31 -3,-1.4 -1,-0.5 1,-0.2 3,-0.4 -0.395 81.5 -25.2 69.9-142.4 17.1 19.5 64.4 55 55 A a T > S+ 0 0 13 1,-0.2 3,-1.0 86,-0.2 -1,-0.2 0.667 128.5 76.5 -80.4 -16.1 15.2 21.4 67.2 56 56 A T G X S+ 0 0 100 -3,-1.2 3,-1.3 1,-0.2 -1,-0.2 0.856 86.9 57.3 -66.1 -37.6 18.2 23.5 68.0 57 57 A S G 3 S+ 0 0 16 -3,-0.4 -1,-0.2 -4,-0.3 -7,-0.2 0.486 81.8 88.9 -75.5 1.7 17.8 25.8 64.9 58 58 A A G < S- 0 0 0 -3,-1.0 -10,-2.9 1,-0.2 -1,-0.3 0.670 85.0-149.2 -70.5 -14.7 14.3 26.7 66.0 59 59 A G < - 0 0 19 -3,-1.3 -1,-0.2 -12,-0.2 3,-0.1 -0.361 34.8 -37.2 76.5-160.6 15.8 29.6 68.0 60 60 A P S S- 0 0 74 0, 0.0 -13,-3.5 0, 0.0 -12,-0.2 -0.158 85.7 -53.5 -89.5-176.1 14.2 30.9 71.3 61 61 A H B -H 46 0B 8 -15,-0.3 2,-0.5 73,-0.3 -15,-0.3 -0.336 65.2 -99.4 -60.4 149.3 10.6 31.2 72.4 62 62 A F + 0 0 9 -17,-2.5 18,-2.4 52,-0.2 17,-0.5 -0.517 57.0 162.5 -69.8 117.1 8.5 33.3 70.0 63 63 A N > + 0 0 46 -2,-0.5 3,-1.7 15,-0.2 -1,-0.1 -0.469 14.7 160.8-141.6 66.8 8.5 36.7 71.7 64 64 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.705 80.6 54.7 -61.8 -23.0 7.4 39.5 69.4 65 65 A L T 3 S- 0 0 74 12,-0.1 -3,-0.0 -3,-0.1 -2,-0.0 0.309 105.1-125.6 -94.4 7.7 6.6 41.7 72.4 66 66 A S < + 0 0 108 -3,-1.7 2,-0.2 1,-0.2 12,-0.1 0.889 57.8 143.9 47.0 54.8 10.0 41.4 74.1 67 67 A K - 0 0 67 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.571 50.9 -99.0-109.7 173.4 8.8 40.1 77.5 68 68 A K - 0 0 119 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.441 50.0 -79.5 -90.6 167.6 10.2 37.6 79.9 69 69 A H + 0 0 7 64,-2.2 2,-0.2 8,-0.2 -1,-0.1 -0.428 61.8 146.9 -67.0 135.9 9.2 34.0 80.2 70 70 A G - 0 0 1 -2,-0.1 13,-0.3 8,-0.1 55,-0.3 -0.854 48.3 -78.6-151.5-172.0 6.0 33.1 82.1 71 71 A G > - 0 0 3 53,-0.6 3,-1.9 -2,-0.2 10,-0.1 -0.560 51.3 -98.7 -93.3 166.5 3.1 30.7 82.2 72 72 A P T 3 S+ 0 0 38 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.757 122.1 54.0 -57.0 -30.8 0.2 31.0 79.8 73 73 A K T 3 S+ 0 0 201 3,-0.1 2,-0.2 26,-0.0 4,-0.1 0.546 91.3 98.1 -85.3 -4.2 -2.0 32.7 82.4 74 74 A D < - 0 0 42 -3,-1.9 -4,-0.1 1,-0.1 3,-0.1 -0.495 68.1-143.3 -84.3 154.2 0.6 35.4 83.1 75 75 A E S S+ 0 0 180 1,-0.2 2,-1.3 -2,-0.2 -1,-0.1 0.835 98.3 62.3 -78.0 -35.3 0.6 39.0 81.6 76 76 A E S S+ 0 0 90 -9,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.742 83.0 114.0 -93.1 93.7 4.4 38.8 81.5 77 77 A R - 0 0 10 -2,-1.3 -8,-0.2 -7,-0.1 2,-0.2 -0.977 69.4-102.0-152.8 162.2 5.0 35.9 79.1 78 78 A H > - 0 0 14 -2,-0.3 3,-1.7 -8,-0.2 -15,-0.2 -0.590 37.0-118.9 -78.9 154.4 6.4 35.2 75.7 79 79 A V T 3 S+ 0 0 2 -17,-0.5 23,-0.2 1,-0.3 -16,-0.2 0.893 115.9 56.3 -59.9 -36.6 3.6 34.7 73.0 80 80 A G T 3 S+ 0 0 0 -18,-2.4 -35,-1.9 -35,-0.2 2,-1.1 0.438 77.3 114.2 -75.0 2.2 5.0 31.1 72.6 81 81 A D E < +F 44 0B 0 -3,-1.7 -37,-0.2 -19,-0.2 3,-0.1 -0.599 26.1 157.5 -80.6 97.9 4.6 30.2 76.3 82 82 A L E - 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