==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-DEC-01 1KMG . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.BANCI,I.BERTINI,F.CANTINI,M.D'ONOFRIO,M.S.VIEZZOLI . 153 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 2 1.3 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 . 16 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 78 0, 0.0 22,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 153.3 -18.5 -1.3 9.6 2 2 A T - 0 0 83 151,-0.1 2,-0.3 2,-0.0 20,-0.3 0.405 360.0-117.4 92.5 121.4 -16.1 -0.1 12.2 3 3 A K - 0 0 80 18,-0.1 2,-0.4 -2,-0.1 18,-0.2 -0.705 14.7-147.7 -97.3 145.0 -13.0 1.7 10.7 4 4 A A E -A 20 0A 3 16,-2.5 16,-2.9 -2,-0.3 2,-0.4 -0.858 16.5-152.3 -95.0 144.8 -9.3 0.9 10.7 5 5 A V E -A 19 0A 20 -2,-0.4 146,-2.8 14,-0.2 145,-2.7 -0.924 12.9-169.6-110.6 142.3 -6.9 3.7 10.7 6 6 A A E -A 18 0A 0 12,-1.8 12,-2.4 -2,-0.4 2,-0.9 -0.873 8.9-161.6-122.0 97.5 -3.3 3.7 9.3 7 7 A V E -A 17 0A 91 -2,-0.4 2,-0.5 141,-0.3 10,-0.3 -0.725 18.8-155.5 -64.1 107.7 -1.6 6.9 10.3 8 8 A L E +A 16 0A 1 8,-2.0 8,-2.2 -2,-0.9 139,-0.2 -0.852 43.9 125.4 -94.2 124.5 1.2 6.7 7.7 9 9 A K + 0 0 127 137,-2.7 5,-0.5 -2,-0.5 138,-0.2 0.459 20.7 155.9-135.2 -52.1 4.4 8.6 8.7 10 10 A G - 0 0 9 136,-1.8 135,-0.3 135,-0.3 134,-0.0 -0.281 69.7 -58.8 44.7-122.0 7.4 6.2 8.5 11 11 A D S S+ 0 0 147 133,-2.2 134,-0.2 2,-0.0 -1,-0.2 0.667 104.1 91.3-129.9 -37.6 10.6 8.2 8.0 12 12 A G S S- 0 0 22 132,-2.9 2,-2.7 1,-0.1 132,-0.1 -0.185 97.9 -88.5 -60.3 162.3 10.4 10.2 4.7 13 13 A P S S+ 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.294 93.7 112.4 -76.9 58.9 9.0 13.8 5.0 14 14 A V - 0 0 8 -2,-2.7 2,-0.3 -5,-0.5 23,-0.2 -0.886 42.3-176.7-132.7 152.6 5.4 12.6 4.6 15 15 A Q B +D 36 0B 123 21,-2.8 21,-3.0 -2,-0.3 2,-0.3 -0.953 18.8 140.8-155.0 133.8 2.4 12.4 6.9 16 16 A G E -A 8 0A 5 -8,-2.2 -8,-2.0 -2,-0.3 2,-0.4 -0.990 36.6-130.1-166.4 168.8 -1.1 10.9 6.3 17 17 A I E -A 7 0A 69 -2,-0.3 17,-2.0 -10,-0.3 2,-0.4 -0.999 12.2-158.2-130.9 125.7 -4.1 9.0 7.5 18 18 A I E -AB 6 33A 0 -12,-2.4 -12,-1.8 -2,-0.4 2,-0.5 -0.880 6.5-160.3 -88.7 136.5 -5.8 6.0 5.8 19 19 A N E -AB 5 32A 52 13,-3.1 13,-1.8 -2,-0.4 2,-0.6 -0.969 10.2-168.6-116.3 107.0 -9.4 5.4 6.8 20 20 A F E +AB 4 31A 5 -16,-2.9 -16,-2.5 -2,-0.5 2,-0.3 -0.886 18.2 154.6 -92.7 120.1 -10.3 1.8 5.9 21 21 A E E + B 0 30A 44 9,-1.5 9,-2.7 -2,-0.6 2,-0.3 -0.964 12.3 168.7-142.6 163.2 -14.0 1.0 6.2 22 22 A Q - 0 0 6 -2,-0.3 7,-0.1 -20,-0.3 83,-0.0 -0.940 37.7-124.0-156.9 153.8 -16.3 -1.6 4.6 23 23 A K S S+ 0 0 171 5,-0.3 -1,-0.2 -2,-0.3 6,-0.1 0.987 92.3 18.3 -63.4 -62.4 -19.9 -2.7 5.3 24 24 A E S S- 0 0 87 1,-0.1 82,-0.2 4,-0.1 3,-0.2 0.133 71.5-121.6 -90.9-162.4 -19.1 -6.4 5.7 25 25 A S S S+ 0 0 54 1,-0.1 2,-2.1 80,-0.1 81,-0.3 0.629 109.3 47.6-101.7 -68.5 -16.1 -8.6 6.3 26 26 A N S S+ 0 0 154 79,-0.1 -1,-0.1 80,-0.1 79,-0.1 -0.493 105.0 76.5 -73.6 76.5 -16.3 -10.7 3.1 27 27 A G S S- 0 0 18 -2,-2.1 2,-0.4 77,-0.2 0, 0.0 -0.946 91.1 -56.8-171.4 179.4 -16.8 -7.8 0.7 28 28 A P - 0 0 51 0, 0.0 -5,-0.3 0, 0.0 74,-0.2 -0.577 49.5-131.5 -82.2 126.1 -15.0 -4.9 -1.0 29 29 A V - 0 0 0 72,-0.7 2,-0.8 75,-0.4 72,-0.5 -0.527 7.7-141.3 -79.2 140.2 -13.1 -2.5 1.2 30 30 A K E -B 21 0A 82 -9,-2.7 -9,-1.5 -2,-0.2 2,-0.6 -0.873 21.9-165.7-103.7 99.0 -13.7 1.3 0.6 31 31 A V E +BC 20 99A 9 68,-2.8 68,-2.1 -2,-0.8 2,-0.3 -0.813 16.0 164.7 -89.4 120.9 -10.2 2.8 1.0 32 32 A W E +B 19 0A 119 -13,-1.8 -13,-3.1 -2,-0.6 2,-0.3 -0.992 7.4 160.2-130.9 140.3 -10.1 6.6 1.4 33 33 A G E -B 18 0A 10 -2,-0.3 64,-2.5 -15,-0.3 2,-0.4 -0.981 33.9-145.4-162.7 153.2 -7.0 8.5 2.8 34 34 A S + 0 0 79 -17,-2.0 2,-0.3 -2,-0.3 -17,-0.2 -0.702 29.9 174.1-130.0 67.6 -5.5 12.0 2.8 35 35 A I - 0 0 0 -2,-0.4 60,-2.8 -19,-0.2 2,-0.3 -0.612 5.6-179.2 -81.6 139.5 -1.8 11.6 2.6 36 36 A K B +D 15 0B 69 -21,-3.0 -21,-2.8 -2,-0.3 57,-0.2 -0.911 47.8 52.1-134.9 169.5 0.5 14.6 2.2 37 37 A G + 0 0 29 55,-1.4 56,-0.2 -2,-0.3 57,-0.2 0.327 69.7 138.7 90.6 -1.7 4.2 15.6 1.9 38 38 A L - 0 0 10 55,-1.8 -1,-0.3 54,-0.2 2,-0.1 -0.207 63.4-100.4 -56.1 158.8 5.0 13.2 -1.0 39 39 A T - 0 0 95 1,-0.2 50,-0.2 82,-0.1 -1,-0.1 -0.423 58.3 -85.9 -61.8 160.5 7.2 14.3 -3.9 40 40 A E S S+ 0 0 103 51,-0.1 50,-0.2 -2,-0.1 -1,-0.2 0.008 89.0 25.1 -60.9 174.0 4.9 15.2 -6.9 41 41 A G E S-E 89 0C 31 48,-1.9 48,-2.9 49,-0.4 46,-0.1 -0.121 103.5 -1.1 72.3-162.2 3.6 12.7 -9.4 42 42 A L E -E 88 0C 81 46,-0.3 2,-0.3 44,-0.1 46,-0.3 -0.327 54.8-177.5 -72.2 146.7 3.1 8.9 -9.1 43 43 A H E -E 87 0C 4 44,-2.9 44,-2.7 -2,-0.1 80,-0.3 -0.952 28.6-119.6-144.7 119.3 3.9 6.9 -5.9 44 44 A G E -E 86 0C 0 78,-3.0 76,-3.0 96,-0.4 2,-0.4 -0.205 22.8-156.2 -51.2 147.8 3.5 3.2 -5.4 45 45 A F E +EF 85 119C 5 40,-3.0 40,-1.7 74,-0.2 39,-1.3 -0.897 26.8 159.2-140.3 96.0 1.0 2.3 -2.7 46 46 A H E -EF 83 118C 0 72,-2.0 72,-2.6 -2,-0.4 2,-0.7 -0.901 38.1-135.5-130.9 146.6 1.8 -1.1 -1.2 47 47 A V E - F 0 117C 1 35,-2.6 70,-0.3 -2,-0.3 2,-0.2 -0.915 26.8-170.1-110.7 104.9 1.0 -3.0 2.0 48 48 A H E - F 0 116C 6 68,-2.2 68,-1.5 -2,-0.7 15,-0.2 -0.483 30.2-106.4 -86.7 161.9 4.0 -4.9 3.3 49 49 A E + 0 0 46 13,-0.5 67,-2.3 66,-0.2 -1,-0.1 0.936 63.4 132.9 -51.3-103.4 4.0 -7.4 6.2 50 50 A E + 0 0 8 65,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.912 26.3 164.4 50.2 67.1 5.5 -5.8 9.3 51 51 A E + 0 0 81 1,-0.2 2,-2.1 64,-0.1 3,-0.4 0.834 66.5 5.7 -74.0-107.4 3.0 -6.6 12.0 52 52 A D S S+ 0 0 159 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.329 86.5 132.3 -85.1 59.4 4.1 -6.2 15.7 53 53 A N S S- 0 0 39 -2,-2.1 -1,-0.2 3,-0.2 4,-0.1 0.949 87.3 -70.0 -79.0 -53.9 7.5 -4.7 14.8 54 54 A T S S- 0 0 127 -3,-0.4 3,-0.1 2,-0.3 4,-0.1 -0.015 88.6 -58.1-170.2 -55.2 7.6 -1.6 17.2 55 55 A A S S+ 0 0 72 1,-0.6 93,-1.2 2,-0.1 2,-0.1 0.047 116.6 15.8-170.4 -53.0 4.9 0.7 15.7 56 56 A G S S- 0 0 20 1,-0.4 -1,-0.6 91,-0.2 -2,-0.3 -0.099 110.8 -25.0-109.2-148.9 5.9 1.4 12.1 57 57 A a + 0 0 31 1,-0.1 -1,-0.4 -3,-0.1 -2,-0.1 -0.256 63.6 133.9 -58.4 149.1 8.3 -0.2 9.6 58 58 A T S S+ 0 0 84 -3,-0.1 -1,-0.1 -4,-0.1 -8,-0.0 0.323 77.3 13.2-156.4 7.7 11.3 -2.2 10.9 59 59 A S S S+ 0 0 96 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.557 79.0 114.9-176.0 -40.7 11.4 -5.3 9.1 60 60 A A + 0 0 15 1,-0.1 -1,-0.1 -11,-0.1 3,-0.1 -0.481 21.4 172.1 -88.2 154.1 9.4 -6.0 5.8 61 61 A G + 0 0 47 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.619 58.3 34.7-117.9 -88.3 10.7 -6.6 2.3 62 62 A P S S- 0 0 43 0, 0.0 2,-1.5 0, 0.0 -13,-0.5 0.085 93.4 -87.8 -70.6 179.0 8.1 -7.6 -0.3 63 63 A H S S- 0 0 3 1,-0.2 -15,-0.2 -15,-0.2 19,-0.2 -0.472 91.1 -63.0 -84.8 59.0 4.4 -6.7 -0.7 64 64 A F S S- 0 0 60 -2,-1.5 17,-0.4 1,-0.2 -1,-0.2 0.990 71.4-167.7 50.2 68.5 3.3 -9.5 1.6 65 65 A N - 0 0 61 1,-0.2 -1,-0.2 15,-0.1 -4,-0.1 -0.806 11.2-168.0 -83.2 115.2 4.6 -12.3 -0.6 66 66 A P S S- 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.859 75.2 -44.6 -72.2 -37.1 3.1 -15.6 0.8 67 67 A L S S- 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.145 122.5 -14.6-155.8 -65.7 5.5 -17.8 -1.4 68 68 A S S S+ 0 0 95 2,-0.0 2,-0.2 0, 0.0 -3,-0.1 -0.425 71.3 160.6-154.9 71.5 5.7 -16.5 -5.0 69 69 A R - 0 0 77 67,-0.1 2,-0.3 9,-0.0 11,-0.2 -0.531 31.6-133.4 -78.6 161.3 3.0 -14.0 -6.0 70 70 A K - 0 0 100 9,-0.4 9,-0.5 -2,-0.2 66,-0.2 -0.810 22.4-107.0-109.7 155.7 3.6 -11.8 -9.0 71 71 A H + 0 0 4 64,-2.3 2,-0.2 -2,-0.3 7,-0.2 -0.357 41.8 158.4 -74.8 164.1 3.0 -8.0 -9.1 72 72 A G - 0 0 0 65,-0.2 8,-0.3 4,-0.1 55,-0.3 -0.831 32.5-126.3-176.0 148.5 0.2 -6.3 -10.9 73 73 A G - 0 0 0 53,-2.6 12,-0.2 -2,-0.2 10,-0.1 0.134 50.0 -80.8 -75.3-155.5 -1.5 -2.9 -10.5 74 74 A P S S+ 0 0 74 0, 0.0 11,-0.1 0, 0.0 -1,-0.0 0.938 133.7 52.1 -70.7 -46.9 -5.2 -2.4 -10.0 75 75 A K S S+ 0 0 198 2,-0.0 52,-0.1 0, 0.0 10,-0.1 0.765 95.6 87.8 -59.6 -36.3 -5.7 -2.8 -13.8 76 76 A D S S- 0 0 47 50,-0.3 -4,-0.1 1,-0.1 51,-0.1 -0.072 79.4-130.7 -56.9 165.9 -3.8 -6.1 -13.9 77 77 A E S S+ 0 0 182 2,-0.0 -1,-0.1 0, 0.0 -5,-0.1 0.864 92.3 44.0 -79.6 -47.0 -5.4 -9.5 -13.3 78 78 A E + 0 0 63 -7,-0.2 2,-0.2 49,-0.1 -2,-0.1 -0.228 61.3 156.0 -93.5 177.1 -2.7 -10.5 -10.8 79 79 A R - 0 0 55 -9,-0.5 -9,-0.4 -8,-0.2 2,-0.3 -0.831 50.9 -85.0 177.3 160.6 -1.0 -8.6 -7.8 80 80 A H > - 0 0 1 -8,-0.3 3,-1.9 57,-0.2 2,-1.1 -0.666 49.2-109.2 -71.5 152.1 0.8 -9.5 -4.6 81 81 A V T 3 S+ 0 0 33 -17,-0.4 -1,-0.1 1,-0.3 -17,-0.1 -0.033 119.0 48.5 -79.5 39.6 -1.8 -10.1 -1.9 82 82 A G T 3 S+ 0 0 2 -2,-1.1 -35,-2.6 -19,-0.2 2,-0.4 0.012 92.3 87.4-164.5 37.3 -0.5 -6.8 -0.4 83 83 A D E < +E 46 0C 6 -3,-1.9 -37,-0.2 -37,-0.2 -1,-0.1 -0.994 32.8 170.3-130.0 140.6 -0.4 -4.4 -3.3 84 84 A L E - 0 0 25 -39,-1.3 2,-0.2 -2,-0.4 -38,-0.2 0.750 53.9-115.0 -96.3 -51.2 -3.2 -2.1 -4.6 85 85 A G E -E 45 0C 1 -40,-1.7 -40,-3.0 -12,-0.2 2,-0.3 -0.752 47.4 -43.7 159.5-103.4 -1.0 -0.1 -7.0 86 86 A N E -E 44 0C 43 -42,-0.3 -42,-0.3 -2,-0.2 2,-0.3 -0.892 33.6-145.3-152.2 169.3 -0.1 3.6 -6.8 87 87 A V E -E 43 0C 8 -44,-2.7 -44,-2.9 -2,-0.3 2,-0.4 -0.814 21.0-123.9-131.1 176.0 -1.4 7.1 -6.2 88 88 A T E -E 42 0C 79 -46,-0.3 8,-0.4 -2,-0.3 2,-0.4 -0.999 18.3-150.8-125.3 126.7 -0.5 10.5 -7.7 89 89 A A E -E 41 0C 3 -48,-2.9 -48,-1.9 -2,-0.4 6,-0.3 -0.813 3.6-153.4 -96.2 141.4 0.5 13.4 -5.5 90 90 A D - 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