==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-AUG-05 2AQS . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR M.DIDONATO,C.J.KASSMANN,C.K.BRUNS,D.E.CABELLI,Z.CAO, . 315 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 63.5 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 . 106 33.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 0 0.0 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 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 . 6 2 6 2 0 2 0 4 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 . 4 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 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 27 A T 0 0 186 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.7 10.6 -2.2 30.7 2 28 A I - 0 0 126 1,-0.1 3,-0.1 5,-0.0 5,-0.0 -0.385 360.0-114.9 -54.2 132.6 14.1 -3.6 31.2 3 29 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.179 29.2 -96.5 -69.4 164.7 14.4 -6.1 28.4 4 30 A K S S+ 0 0 200 -3,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.623 92.2 26.8 -81.8 142.0 14.8 -9.9 29.1 5 31 A G S S- 0 0 63 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.207 114.0 -33.9 92.5 169.3 18.3 -11.1 29.0 6 32 A A S S+ 0 0 65 -2,-0.1 25,-0.6 25,-0.1 2,-0.3 -0.273 71.7 166.3 -62.1 146.0 21.4 -9.1 29.8 7 33 A S E -A 30 0A 37 23,-0.1 2,-0.4 -4,-0.0 23,-0.2 -0.990 33.0-141.2-157.8 162.5 21.4 -5.4 28.8 8 34 A I E -A 29 0A 10 21,-1.9 21,-3.1 -2,-0.3 2,-0.8 -0.995 15.2-153.1-129.7 122.0 23.0 -2.0 29.2 9 35 A E E -A 28 0A 121 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.867 14.9-161.4-100.5 110.8 20.9 1.1 29.4 10 36 A V E -A 27 0A 3 17,-3.0 17,-1.8 -2,-0.8 2,-0.4 -0.792 12.3-137.0 -97.4 127.0 22.8 4.1 28.1 11 37 A K E -A 26 0A 134 -2,-0.5 2,-0.5 147,-0.3 147,-0.4 -0.659 22.6-152.7 -80.4 131.1 21.8 7.7 28.9 12 38 A V E -A 25 0A 0 13,-2.6 12,-2.7 -2,-0.4 13,-0.6 -0.918 7.4-161.7-113.7 132.3 22.0 9.9 25.9 13 39 A Q E -AB 23 156A 54 143,-2.9 143,-2.3 -2,-0.5 2,-0.4 -0.924 20.0-132.1-115.6 131.3 22.6 13.6 25.9 14 40 A Q E -AB 22 155A 58 8,-3.4 8,-2.1 -2,-0.4 2,-0.3 -0.677 41.5-124.3 -73.4 127.9 22.0 16.1 23.1 15 41 A L + 0 0 20 139,-2.8 56,-0.1 -2,-0.4 6,-0.1 -0.627 47.4 150.1 -89.5 134.8 25.3 18.1 23.1 16 42 A D > - 0 0 51 -2,-0.3 4,-1.7 54,-0.1 54,-0.1 -0.651 21.7-167.9-158.6 92.9 25.6 21.8 23.5 17 43 A P T 4 S+ 0 0 46 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.774 88.9 39.8 -54.1 -32.8 28.9 23.0 25.1 18 44 A V T 4 S+ 0 0 121 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.908 125.5 30.2 -87.4 -47.3 27.6 26.6 25.6 19 45 A N T 4 S- 0 0 137 1,-0.2 -1,-0.1 -4,-0.0 -4,-0.0 0.412 116.9-102.4 -95.2 3.3 23.9 26.1 26.7 20 46 A G < - 0 0 39 -4,-1.7 -1,-0.2 2,-0.0 -2,-0.1 0.264 37.6 -77.7 88.9 144.6 24.4 22.8 28.4 21 47 A N - 0 0 81 -4,-0.1 2,-0.4 -6,-0.1 -6,-0.2 -0.280 40.4-145.0 -72.0 161.1 23.6 19.2 27.3 22 48 A K E -A 14 0A 114 -8,-2.1 -8,-3.4 -2,-0.0 2,-0.3 -0.987 15.6-122.0-134.8 124.9 20.1 17.9 27.5 23 49 A D E +A 13 0A 87 -2,-0.4 -10,-0.2 -10,-0.3 3,-0.1 -0.468 31.8 175.3 -63.8 123.0 19.1 14.3 28.3 24 50 A V E - 0 0 2 -12,-2.7 19,-2.1 1,-0.3 2,-0.3 0.199 50.5 -80.9-117.7 15.4 17.1 13.0 25.3 25 51 A G E -AC 12 42A 14 -13,-0.6 -13,-2.6 17,-0.2 -1,-0.3 -0.909 53.8 -67.1 128.5-153.2 16.5 9.5 26.3 26 52 A T E -AC 11 41A 24 15,-1.7 15,-2.1 -2,-0.3 2,-0.4 -0.883 15.7-144.2-140.5 168.1 18.3 6.2 26.3 27 53 A V E -AC 10 40A 1 -17,-1.8 -17,-3.0 -2,-0.3 2,-0.5 -0.980 22.8-154.0-134.8 120.1 19.8 3.5 24.0 28 54 A T E -AC 9 39A 22 11,-2.7 11,-3.0 -2,-0.4 2,-0.5 -0.875 5.1-152.5-102.0 128.7 19.5 0.0 25.4 29 55 A I E +AC 8 38A 0 -21,-3.1 -21,-1.9 -2,-0.5 2,-0.3 -0.884 20.5 167.9-106.7 126.8 22.0 -2.6 24.3 30 56 A T E -AC 7 37A 27 7,-2.3 7,-2.5 -2,-0.5 2,-0.6 -0.811 34.1-113.3-128.9 169.6 21.2 -6.3 24.2 31 57 A E E + C 0 36A 90 -25,-0.6 5,-0.2 -2,-0.3 2,-0.2 -0.914 32.0 179.4-111.4 113.4 22.7 -9.5 22.7 32 58 A S E > - C 0 35A 29 3,-2.2 3,-1.2 -2,-0.6 216,-0.1 -0.503 47.0-100.0 -99.7 175.5 20.8 -11.2 19.9 33 59 A N T 3 S+ 0 0 132 214,-0.5 3,-0.1 1,-0.2 215,-0.1 0.535 123.7 46.1 -74.1 -2.4 22.0 -14.4 18.2 34 60 A Y T 3 S- 0 0 46 1,-0.5 -1,-0.2 213,-0.2 2,-0.2 0.256 126.3 -66.4-121.6 9.9 23.3 -12.2 15.4 35 61 A G E < S-C 32 0A 2 -3,-1.2 -3,-2.2 86,-0.2 -1,-0.5 -0.703 76.2 -32.7 130.5 177.9 25.1 -9.5 17.2 36 62 A L E -CD 31 117A 0 84,-1.8 81,-2.7 81,-1.1 2,-0.5 -0.456 51.6-148.1 -74.1 139.2 24.4 -6.6 19.6 37 63 A V E -CD 30 116A 4 -7,-2.5 -7,-2.3 79,-0.2 2,-0.7 -0.928 3.0-156.0-110.3 129.5 21.1 -4.8 19.2 38 64 A F E -CD 29 115A 0 77,-2.9 77,-2.0 -2,-0.5 -9,-0.2 -0.924 10.6-170.4-107.1 112.3 20.9 -1.0 19.9 39 65 A T E -C 28 0A 53 -11,-3.0 -11,-2.7 -2,-0.7 2,-0.1 -0.889 8.6-155.9-107.8 110.7 17.3 0.0 20.8 40 66 A P E -C 27 0A 5 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.473 21.8-179.9 -85.0 158.4 16.8 3.8 21.1 41 67 A D E +C 26 0A 103 -15,-2.1 -15,-1.7 -2,-0.1 2,-0.3 -0.603 35.5 148.7-151.8 75.1 14.1 5.6 23.0 42 68 A L E -CE 25 111A 2 69,-2.2 69,-2.0 -17,-0.2 2,-0.3 -0.817 22.9-176.0-117.4 156.0 15.0 9.2 22.2 43 69 A Q + 0 0 129 -19,-2.1 67,-0.2 -2,-0.3 66,-0.1 -0.973 57.1 38.0-148.6 158.0 13.0 12.4 21.8 44 70 A G S S+ 0 0 48 64,-0.4 2,-0.2 -2,-0.3 66,-0.2 0.725 80.2 131.8 74.4 24.6 13.5 16.0 20.8 45 71 A L - 0 0 13 64,-2.1 -1,-0.2 -21,-0.1 2,-0.2 -0.664 65.4 -86.7-107.6 164.5 16.1 15.4 18.1 46 72 A S - 0 0 69 -2,-0.2 59,-0.1 1,-0.1 62,-0.1 -0.478 51.3-110.0 -69.2 131.7 16.4 16.6 14.5 47 73 A E S S+ 0 0 66 60,-0.2 59,-0.2 -2,-0.2 2,-0.2 -0.153 73.3 51.8 -59.9 154.0 14.5 14.5 12.0 48 74 A G E S-J 105 0B 19 57,-3.1 57,-2.5 213,-0.1 2,-0.4 -0.598 92.4 -37.9 116.8-178.2 16.4 12.3 9.5 49 75 A L E -J 104 0B 26 55,-0.2 2,-0.4 -2,-0.2 55,-0.2 -0.712 55.3-165.8 -86.9 135.0 19.1 9.7 9.3 50 76 A H E -J 103 0B 6 53,-2.6 53,-2.6 -2,-0.4 87,-0.3 -0.984 26.2-109.0-129.4 132.4 22.0 10.2 11.7 51 77 A G - 0 0 0 85,-2.8 83,-2.6 -2,-0.4 2,-0.4 -0.264 36.3-165.7 -53.3 139.3 25.5 8.5 11.8 52 78 A F E +F 133 0A 2 48,-0.4 48,-1.4 81,-0.2 2,-0.3 -0.965 18.8 151.0-137.8 112.3 25.6 6.2 14.8 53 79 A H E -FG 132 99A 0 79,-1.9 79,-3.3 -2,-0.4 2,-0.5 -0.980 45.8-115.9-144.3 158.0 29.0 4.8 16.0 54 80 A I E -F 131 0A 0 44,-2.4 25,-3.2 -2,-0.3 2,-0.3 -0.788 37.3-153.8 -89.1 130.2 30.9 3.6 19.0 55 81 A H E -FH 130 78A 0 75,-2.7 75,-2.0 -2,-0.5 23,-0.2 -0.769 20.0-113.1-107.0 155.5 33.8 5.9 19.8 56 82 A E S S+ 0 0 89 21,-2.5 20,-0.2 -2,-0.3 22,-0.1 0.865 89.3 60.1 -52.6 -52.1 37.0 5.0 21.6 57 83 A N S S- 0 0 68 18,-2.9 2,-2.2 20,-0.2 72,-0.2 -0.610 77.7-126.4 -91.8 144.7 36.9 7.0 24.8 58 84 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.363 80.8 94.9 -80.3 60.0 34.2 6.7 27.6 59 85 A S - 0 0 28 -2,-2.2 -2,-0.1 98,-0.1 98,-0.1 -0.995 49.7-172.5-151.9 146.7 33.6 10.4 27.5 60 86 A a + 0 0 18 -2,-0.3 12,-0.6 14,-0.1 13,-0.1 0.161 47.9 131.9-122.2 13.1 31.2 12.8 25.8 61 87 A E - 0 0 135 11,-0.2 13,-3.1 10,-0.1 14,-0.4 -0.280 56.7-115.1 -69.9 151.9 32.9 16.0 26.9 62 88 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.415 27.5-158.3 -82.4 162.9 33.7 18.8 24.4 63 89 A K E -K 70 0C 120 7,-2.3 7,-2.5 5,-0.1 2,-0.3 -0.999 25.9-104.0-144.7 142.6 37.2 19.9 23.5 64 90 A E E -K 69 0C 116 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.488 38.3-174.5 -65.2 126.5 38.8 23.0 22.1 65 91 A E E > -K 68 0C 105 3,-3.3 3,-0.5 -2,-0.3 -1,-0.0 -0.911 68.3 -28.2-130.7 104.4 39.5 22.4 18.4 66 92 A E T 3 S- 0 0 187 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.922 129.5 -41.9 56.4 49.1 41.4 25.2 16.6 67 93 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.576 121.0 104.3 78.3 10.8 40.0 27.9 18.9 68 94 A E E < S-K 65 0C 132 -3,-0.5 -3,-3.3 -5,-0.1 2,-0.9 -0.988 73.1-126.9-128.8 128.4 36.4 26.5 18.9 69 95 A L E -K 64 0C 80 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.2 -0.623 37.4-161.2 -72.2 109.3 34.8 24.5 21.8 70 96 A T E > -K 63 0C 45 -7,-2.5 -7,-2.3 -2,-0.9 3,-1.2 -0.858 14.9-115.3-104.7 125.4 33.7 21.4 19.9 71 97 A A T 3 S- 0 0 17 -2,-0.5 82,-0.4 -9,-0.2 -10,-0.1 -0.179 85.8 -4.1 -58.0 137.7 31.0 19.1 21.1 72 98 A G T > S+ 0 0 0 -12,-0.6 3,-1.9 1,-0.1 -1,-0.2 0.454 80.8 131.5 61.1 7.5 31.9 15.5 22.0 73 99 A L G X + 0 0 39 -3,-1.2 3,-1.8 1,-0.3 -1,-0.1 0.718 60.4 74.5 -62.6 -19.1 35.5 15.5 21.0 74 100 A G G 3 S+ 0 0 8 -13,-3.1 -1,-0.3 1,-0.3 -14,-0.1 0.730 82.6 70.6 -64.9 -19.2 36.5 13.9 24.3 75 101 A A G < S- 0 0 0 -3,-1.9 -18,-2.9 -14,-0.4 -1,-0.3 0.679 95.8-148.4 -71.2 -16.3 35.0 10.7 22.9 76 102 A G < - 0 0 13 -3,-1.8 -1,-0.2 -4,-0.2 3,-0.1 -0.396 36.0 -36.9 79.5-162.7 37.9 10.4 20.5 77 103 A G S S- 0 0 26 1,-0.2 -21,-2.5 -3,-0.1 -20,-0.2 -0.110 85.6 -53.4 -88.0-172.4 37.5 8.8 17.1 78 104 A H B -H 55 0A 13 -23,-0.2 2,-0.4 1,-0.1 -23,-0.3 -0.404 67.4-101.1 -62.1 136.3 35.5 5.8 15.8 79 105 A W + 0 0 29 -25,-3.2 19,-2.3 51,-0.2 20,-0.2 -0.462 52.9 165.1 -62.5 118.5 36.2 2.7 17.9 80 106 A D > + 0 0 36 -2,-0.4 3,-1.7 16,-0.2 5,-0.1 -0.466 9.6 155.5-138.5 61.9 38.7 0.7 15.8 81 107 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.793 77.5 53.4 -59.8 -31.5 40.3 -2.0 18.0 82 108 A K T 3 S- 0 0 180 13,-0.1 -3,-0.0 -3,-0.1 14,-0.0 0.332 109.5-122.7 -88.2 7.2 41.0 -4.2 15.0 83 109 A G < + 0 0 36 -3,-1.7 13,-0.1 1,-0.1 -3,-0.0 0.890 56.2 152.4 55.1 47.9 42.8 -1.4 13.1 84 110 A A - 0 0 27 11,-0.1 -1,-0.1 2,-0.1 12,-0.1 0.801 35.9-158.1 -73.8 -27.8 40.7 -1.4 10.0 85 111 A K + 0 0 175 -5,-0.1 2,-0.3 1,-0.1 10,-0.1 0.748 57.9 79.8 54.3 31.9 41.7 2.2 9.6 86 112 A Q S S- 0 0 70 61,-0.0 10,-1.6 55,-0.0 2,-0.3 -0.962 78.3-115.1-162.3 146.6 38.7 3.1 7.4 87 113 A H + 0 0 5 -2,-0.3 55,-0.3 8,-0.2 2,-0.2 -0.646 51.5 133.6 -85.5 138.9 35.0 3.8 7.9 88 114 A G - 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