==== 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 1SXC . 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) . 13984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 65.9 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 . 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 . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.9 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 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 59 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 160.8 -5.5 30.1 58.2 2 2 A T + 0 0 99 1,-0.3 20,-2.7 148,-0.2 2,-0.3 0.492 360.0 40.7-119.3 -13.8 -8.1 28.8 60.6 3 3 A K E +A 21 0A 85 147,-0.3 147,-2.1 18,-0.2 -1,-0.3 -0.999 62.2 171.0-139.8 142.1 -6.5 25.4 61.1 4 4 A A E -AB 20 149A 2 16,-2.1 16,-2.5 -2,-0.3 2,-0.3 -0.897 10.8-160.7-142.8 166.4 -2.9 24.2 61.5 5 5 A V E -AB 19 148A 1 143,-2.2 143,-2.5 -2,-0.3 2,-0.3 -0.984 2.0-167.3-147.5 155.4 -1.1 21.0 62.3 6 6 A C E -A 18 0A 2 12,-2.1 12,-2.7 -2,-0.3 2,-0.5 -0.983 10.3-152.8-145.0 139.6 2.4 20.1 63.6 7 7 A V E -A 17 0A 31 139,-0.4 2,-0.4 -2,-0.3 10,-0.2 -0.961 19.2-147.1-113.8 119.9 4.1 16.6 63.7 8 8 A L E +A 16 0A 0 8,-2.4 8,-1.4 -2,-0.5 2,-0.3 -0.751 28.2 158.2 -90.2 130.0 6.7 16.5 66.5 9 9 A K B +E 144 0B 132 135,-2.1 135,-2.6 -2,-0.4 2,-0.2 -0.970 4.4 159.3-144.3 155.6 9.8 14.3 65.9 10 10 A G - 0 0 32 2,-0.4 133,-0.2 4,-0.4 132,-0.1 -0.780 55.9 -75.5-155.8-160.5 13.3 14.3 67.4 11 11 A D S S+ 0 0 173 -2,-0.2 132,-0.1 131,-0.2 131,-0.1 0.474 109.0 49.3 -88.8 -5.5 16.2 11.9 67.8 12 12 A G S S- 0 0 48 130,-0.6 -2,-0.4 2,-0.2 130,-0.0 -0.258 110.4 -71.7-112.9-157.7 14.7 9.8 70.6 13 13 A P S S+ 0 0 100 0, 0.0 2,-0.4 0, 0.0 21,-0.1 0.482 87.6 116.5 -80.0 -4.2 11.3 8.1 71.0 14 14 A V + 0 0 9 128,-0.2 -4,-0.4 21,-0.1 2,-0.3 -0.549 34.0 151.5 -76.1 128.8 9.2 11.2 71.5 15 15 A Q E + C 0 34A 100 19,-1.7 19,-3.2 -2,-0.4 2,-0.3 -0.971 7.4 152.8-146.0 160.0 6.6 11.9 68.8 16 16 A G E -AC 8 33A 11 -8,-1.4 -8,-2.4 -2,-0.3 2,-0.4 -0.977 34.2-127.4-177.1 167.9 3.2 13.5 68.6 17 17 A T E -AC 7 32A 45 15,-1.9 15,-1.6 -2,-0.3 2,-0.4 -0.998 23.7-166.8-131.4 127.5 0.7 15.3 66.4 18 18 A I E -AC 6 31A 0 -12,-2.7 -12,-2.1 -2,-0.4 2,-0.3 -0.951 2.5-160.7-116.5 135.0 -0.7 18.7 67.5 19 19 A H E -AC 5 30A 83 11,-3.3 11,-2.3 -2,-0.4 2,-0.4 -0.872 2.7-162.4-114.9 148.9 -3.7 20.4 65.9 20 20 A F E -AC 4 29A 3 -16,-2.5 -16,-2.1 -2,-0.3 2,-0.4 -0.986 7.3-178.3-134.5 136.8 -4.6 24.1 66.1 21 21 A E E -AC 3 28A 95 7,-1.8 7,-2.9 -2,-0.4 2,-0.4 -0.984 26.0-128.6-139.1 129.6 -7.9 25.7 65.4 22 22 A A E + C 0 27A 39 -20,-2.7 2,-0.4 -2,-0.4 5,-0.2 -0.651 31.6 174.8 -75.8 127.3 -8.9 29.4 65.5 23 23 A K E > - C 0 26A 148 3,-2.8 3,-2.2 -2,-0.4 2,-0.1 -0.949 60.0 -47.4-136.0 111.0 -12.1 29.8 67.7 24 24 A G T 3 S- 0 0 84 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.356 122.3 -26.3 61.6-130.1 -13.3 33.4 68.4 25 25 A D T 3 S+ 0 0 142 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.143 128.2 78.0-102.0 25.2 -10.2 35.4 69.4 26 26 A T E < S-C 23 0A 31 -3,-2.2 -3,-2.8 75,-0.0 2,-0.4 -0.814 71.4-130.5-126.9 171.1 -8.4 32.2 70.7 27 27 A V E -CD 22 99A 3 72,-2.6 72,-2.7 -2,-0.3 2,-0.5 -0.980 18.1-149.3-119.9 129.8 -6.5 29.3 69.4 28 28 A V E -CD 21 98A 32 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.5 -0.897 13.8-162.0 -98.3 124.0 -7.6 25.8 70.6 29 29 A V E +CD 20 97A 0 68,-3.2 68,-2.7 -2,-0.5 2,-0.3 -0.940 18.5 161.6-114.4 120.0 -4.6 23.4 70.7 30 30 A T E +CD 19 96A 50 -11,-2.3 -11,-3.3 -2,-0.5 2,-0.3 -0.882 15.5 84.8-134.0 168.5 -5.2 19.7 70.9 31 31 A G E -CD 18 95A 20 64,-1.2 64,-3.3 -2,-0.3 2,-0.3 -0.946 56.7 -86.7 139.8-162.5 -3.5 16.4 70.2 32 32 A S E -CD 17 94A 48 -15,-1.6 -15,-1.9 -2,-0.3 2,-0.4 -0.998 16.0-157.0-152.4 151.5 -1.2 13.9 71.9 33 33 A I E -CD 16 93A 0 60,-2.3 60,-3.0 -2,-0.3 2,-0.3 -0.987 16.9-167.4-128.0 137.5 2.5 13.2 72.5 34 34 A T E +C 15 0A 55 -19,-3.2 -19,-1.7 -2,-0.4 58,-0.2 -0.818 58.4 45.9-126.2 165.6 3.9 9.8 73.3 35 35 A G S S+ 0 0 35 55,-0.4 2,-0.2 -2,-0.3 57,-0.2 0.667 77.4 136.8 83.3 16.1 7.2 8.4 74.5 36 36 A L - 0 0 7 55,-2.3 -1,-0.3 -3,-0.2 2,-0.1 -0.649 60.1-106.3 -94.8 154.4 7.5 11.0 77.3 37 37 A T - 0 0 101 -2,-0.2 50,-0.4 1,-0.1 -1,-0.1 -0.355 53.3 -86.1 -74.3 149.0 8.6 10.3 80.9 38 38 A E S S+ 0 0 123 51,-0.2 2,-0.2 -2,-0.1 50,-0.2 -0.312 92.9 34.3 -53.0 144.5 5.8 10.6 83.4 39 39 A G E S-F 87 0B 25 48,-3.0 48,-3.5 -3,-0.1 2,-0.2 -0.650 96.8 -18.7 112.3-169.1 5.2 14.1 84.6 40 40 A D E -F 86 0B 65 46,-0.3 2,-0.3 -2,-0.2 46,-0.2 -0.580 47.1-175.4 -85.8 143.6 5.3 17.7 83.3 41 41 A H E -F 85 0B 2 44,-2.2 44,-2.5 -2,-0.2 78,-0.1 -0.992 31.2-112.1-138.9 132.9 7.1 18.9 80.2 42 42 A G E -F 84 0B 0 78,-2.7 76,-2.6 -2,-0.3 2,-0.4 -0.280 31.7-166.8 -63.3 145.5 7.5 22.5 79.0 43 43 A F E + G 0 117B 0 40,-2.7 39,-1.0 74,-0.2 2,-0.3 -0.936 19.4 156.2-138.5 109.0 5.6 23.0 75.7 44 44 A H E -FG 81 116B 0 72,-1.9 72,-2.7 -2,-0.4 2,-0.6 -0.964 45.8-116.9-138.6 162.3 6.4 26.2 73.7 45 45 A V E - G 0 115B 0 35,-2.2 17,-2.5 -2,-0.3 2,-0.2 -0.818 35.6-155.5 -92.5 122.8 6.3 27.8 70.3 46 46 A H E -HG 61 114B 2 68,-3.2 68,-1.5 -2,-0.6 15,-0.3 -0.664 22.9-110.2 -93.4 156.0 10.0 28.7 69.4 47 47 A Q S S+ 0 0 66 13,-3.4 2,-0.3 -2,-0.2 12,-0.2 0.833 88.3 52.1 -60.1 -46.5 10.7 31.5 66.9 48 48 A F - 0 0 17 10,-2.7 2,-0.6 12,-0.2 254,-0.2 -0.761 59.1-148.0-103.5 143.5 12.0 29.9 63.7 49 49 A G + 0 0 2 252,-2.0 2,-0.7 63,-0.5 251,-0.3 -0.291 60.5 131.6 -95.3 45.9 10.5 27.0 61.6 50 50 A D + 0 0 20 -2,-0.6 3,-0.3 7,-0.2 -2,-0.1 -0.884 27.4 169.0-104.4 110.3 14.1 26.1 60.8 51 51 A N > + 0 0 41 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.137 41.9 115.0-107.5 21.5 14.9 22.4 61.2 52 52 A T T 3 S+ 0 0 60 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.819 89.6 30.0 -63.8 -29.1 18.3 22.4 59.6 53 53 A Q T > S- 0 0 137 1,-0.5 3,-1.3 -3,-0.3 4,-0.3 -0.397 118.9-104.4-120.2 48.7 20.0 21.5 63.0 54 54 A G T < S- 0 0 30 -3,-1.4 -1,-0.5 1,-0.2 3,-0.4 -0.411 82.6 -25.3 67.1-142.5 17.1 19.5 64.5 55 55 A a T > S+ 0 0 13 86,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.611 128.1 76.8 -80.4 -14.9 15.3 21.4 67.2 56 56 A T G X S+ 0 0 98 -3,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.843 86.9 57.1 -66.2 -36.2 18.3 23.6 68.0 57 57 A S G 3 S+ 0 0 18 -3,-0.4 -1,-0.2 -4,-0.3 -7,-0.2 0.455 81.1 89.7 -76.6 1.3 17.9 25.9 65.0 58 58 A A G < S- 0 0 0 -3,-1.1 -10,-2.7 1,-0.2 -1,-0.3 0.636 84.9-150.0 -69.1 -13.4 14.3 26.7 66.1 59 59 A G < - 0 0 19 -3,-1.2 -1,-0.2 -12,-0.2 3,-0.1 -0.333 34.9 -35.1 75.4-162.7 15.9 29.6 68.1 60 60 A P S S- 0 0 75 0, 0.0 -13,-3.4 0, 0.0 -12,-0.2 -0.108 86.2 -55.0 -85.4-176.6 14.3 30.9 71.4 61 61 A H B -H 46 0B 8 -15,-0.3 2,-0.5 73,-0.3 -15,-0.3 -0.368 65.4 -98.1 -60.6 147.8 10.7 31.3 72.4 62 62 A F + 0 0 9 -17,-2.5 18,-2.2 52,-0.2 17,-0.4 -0.513 58.3 162.9 -66.6 116.0 8.6 33.3 70.0 63 63 A N > + 0 0 46 -2,-0.5 3,-1.6 15,-0.2 -1,-0.1 -0.467 14.6 159.1-142.8 69.0 8.6 36.7 71.8 64 64 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.724 80.0 54.3 -64.2 -24.5 7.5 39.6 69.5 65 65 A L T 3 S- 0 0 76 12,-0.1 -2,-0.0 2,-0.0 13,-0.0 0.287 105.7-126.1 -93.3 8.1 6.7 41.8 72.5 66 66 A S < + 0 0 104 -3,-1.6 2,-0.2 1,-0.2 12,-0.1 0.901 56.7 145.5 46.4 56.5 10.1 41.4 74.2 67 67 A K - 0 0 69 10,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.578 51.2 -99.3-109.3 172.8 8.9 40.2 77.5 68 68 A K - 0 0 122 -2,-0.2 66,-0.2 1,-0.1 2,-0.2 -0.455 51.6 -81.1 -89.1 166.6 10.4 37.7 80.0 69 69 A H + 0 0 7 64,-2.3 2,-0.2 8,-0.2 -1,-0.1 -0.466 60.9 148.5 -68.4 137.7 9.3 34.1 80.2 70 70 A G - 0 0 1 -2,-0.2 13,-0.3 8,-0.1 55,-0.3 -0.798 47.8 -77.4-147.8-166.9 6.1 33.2 82.2 71 71 A G > - 0 0 2 53,-0.6 3,-1.8 -2,-0.2 10,-0.1 -0.592 51.8 -99.1 -94.8 166.6 3.2 30.7 82.3 72 72 A P T 3 S+ 0 0 40 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.754 122.3 54.1 -57.7 -30.2 0.3 31.1 79.9 73 73 A K T 3 S+ 0 0 201 3,-0.1 2,-0.2 26,-0.0 4,-0.1 0.535 91.2 97.8 -86.2 -3.3 -1.9 32.8 82.5 74 74 A D < - 0 0 44 -3,-1.8 -4,-0.1 1,-0.1 3,-0.1 -0.531 67.6-144.3 -85.8 151.3 0.7 35.5 83.2 75 75 A E S S+ 0 0 177 1,-0.2 2,-1.2 -2,-0.2 -1,-0.1 0.833 97.4 62.9 -79.9 -31.8 0.7 38.9 81.7 76 76 A E S S+ 0 0 90 -9,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.781 83.1 115.7 -95.5 96.7 4.5 38.9 81.6 77 77 A R - 0 0 11 -2,-1.2 2,-0.2 -7,-0.1 -8,-0.2 -0.978 69.0-103.1-154.9 159.7 5.0 36.0 79.2 78 78 A H > - 0 0 14 -2,-0.3 3,-1.8 -8,-0.2 -15,-0.2 -0.591 37.7-118.3 -79.4 152.6 6.5 35.2 75.7 79 79 A V T 3 S+ 0 0 2 -17,-0.4 23,-0.2 1,-0.3 -16,-0.2 0.902 115.9 57.0 -56.9 -34.8 3.7 34.7 73.1 80 80 A G T 3 S+ 0 0 0 -18,-2.2 -35,-2.2 -35,-0.2 2,-1.1 0.442 76.3 112.7 -77.8 1.6 5.1 31.2 72.7 81 81 A D E < +F 44 0B 0 -3,-1.8 -37,-0.2 -19,-0.2 3,-0.1 -0.600 26.8 157.5 -83.3 98.4 4.7 30.2 76.4 82 82 A L E - 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