==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-AUG-05 2AQQ . 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,L.B.TABA . 465 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 66.7 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 . 158 34.0 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.7 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+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 . 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 . 9 3 9 3 0 3 1 5 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 . 6 0 0 0 0 0 0 0 3 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 32 A A 0 0 62 0, 0.0 24,-0.2 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0-145.5 27.3 40.5 72.7 2 33 A S + 0 0 78 22,-0.6 2,-0.5 1,-0.0 23,-0.2 0.216 360.0 156.8 153.2 96.2 30.4 42.3 71.5 3 34 A I E -A 24 0A 11 21,-1.5 21,-2.6 2,-0.0 2,-0.8 -0.999 30.3-149.8-124.3 115.6 33.9 41.2 70.9 4 35 A E E -A 23 0A 144 -2,-0.5 2,-0.6 19,-0.2 19,-0.2 -0.840 12.9-158.7 -92.4 113.2 35.7 43.5 68.4 5 36 A V E -A 22 0A 2 17,-2.7 17,-1.8 -2,-0.8 2,-0.5 -0.828 9.5-139.9 -97.6 123.0 38.3 41.4 66.5 6 37 A K E -A 21 0A 126 -2,-0.6 147,-0.4 147,-0.3 2,-0.4 -0.684 23.0-158.3 -80.3 127.1 41.1 43.2 64.9 7 38 A V E -A 20 0A 1 13,-2.8 12,-2.5 -2,-0.5 13,-0.7 -0.901 9.2-169.3-114.1 137.2 41.8 41.7 61.5 8 39 A Q E -AB 18 151A 61 143,-2.5 143,-2.3 -2,-0.4 2,-0.4 -0.946 26.9-120.2-125.3 145.6 45.0 41.8 59.5 9 40 A Q E -AB 17 150A 63 8,-3.3 8,-1.6 -2,-0.4 2,-0.4 -0.666 42.8-122.3 -77.2 133.8 45.9 40.9 55.9 10 41 A L + 0 0 20 139,-2.9 56,-0.1 -2,-0.4 6,-0.1 -0.697 44.6 153.6 -91.6 129.7 48.7 38.3 56.2 11 42 A D > - 0 0 40 -2,-0.4 4,-2.0 2,-0.1 54,-0.1 -0.741 19.4-170.4-151.7 94.8 52.1 38.6 54.6 12 43 A P T 4 S+ 0 0 49 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.692 90.0 35.5 -59.3 -22.3 55.0 36.7 56.4 13 44 A V T 4 S+ 0 0 116 2,-0.1 3,-0.1 51,-0.1 -2,-0.1 0.895 126.6 30.5 -96.7 -60.4 57.5 38.5 54.2 14 45 A N T 4 S- 0 0 128 1,-0.2 2,-0.0 -4,-0.1 -4,-0.0 0.605 116.0-107.0 -77.3 -14.2 56.3 42.1 53.5 15 46 A G < - 0 0 32 -4,-2.0 -1,-0.2 2,-0.0 -2,-0.1 0.017 34.5 -75.6 101.0 150.6 54.5 42.3 56.9 16 47 A N - 0 0 57 -6,-0.1 2,-0.4 -4,-0.1 -6,-0.2 -0.401 40.5-155.3 -80.6 158.8 50.9 42.2 57.9 17 48 A K E -A 9 0A 130 -8,-1.6 -8,-3.3 -2,-0.1 2,-0.2 -0.996 22.3-108.3-137.5 141.4 48.5 45.2 57.5 18 49 A D E +A 8 0A 91 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.441 33.1 172.5 -67.4 135.3 45.3 46.2 59.3 19 50 A V E - 0 0 6 -12,-2.5 19,-2.2 1,-0.4 2,-0.3 0.264 51.8 -92.5-125.7 7.8 42.2 45.7 57.2 20 51 A G E -AC 7 37A 25 -13,-0.7 -13,-2.8 17,-0.2 -1,-0.4 -0.891 49.3 -60.0 124.0-152.3 39.5 46.4 59.8 21 52 A T E -AC 6 36A 26 15,-1.7 15,-2.3 -2,-0.3 2,-0.4 -0.883 16.0-147.5-138.0 167.4 37.5 44.5 62.3 22 53 A V E -AC 5 35A 0 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.5 -0.982 22.6-154.1-134.8 118.1 34.9 41.7 62.7 23 54 A T E -AC 4 34A 33 11,-3.0 11,-3.1 -2,-0.4 2,-0.5 -0.871 4.9-153.6-100.9 127.2 32.5 42.3 65.6 24 55 A I E +AC 3 33A 0 -21,-2.6 -21,-1.5 -2,-0.5 -22,-0.6 -0.875 20.3 168.6-103.7 127.1 30.9 39.2 67.1 25 56 A T E - C 0 32A 40 7,-2.5 7,-3.4 -2,-0.5 2,-0.4 -0.899 32.4-113.0-132.5 161.3 27.6 39.6 68.9 26 57 A E E + C 0 31A 90 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.779 31.8 179.0 -97.6 139.5 25.0 37.2 70.3 27 58 A S E > - C 0 30A 25 3,-1.3 3,-1.3 -2,-0.4 216,-0.1 -0.806 47.2 -99.4-127.8 170.7 21.5 36.9 68.7 28 59 A N T 3 S+ 0 0 124 214,-0.6 3,-0.1 -2,-0.3 215,-0.1 0.532 124.9 44.1 -70.3 -2.5 18.5 34.7 69.6 29 60 A Y T 3 S- 0 0 48 1,-0.5 -1,-0.2 213,-0.2 2,-0.2 0.293 125.7 -69.4-123.8 8.6 19.6 32.4 66.8 30 61 A G E < S-C 27 0A 2 -3,-1.3 -3,-1.3 86,-0.2 -1,-0.5 -0.728 75.3 -28.8 130.3 179.4 23.4 32.3 67.2 31 62 A L E -CD 26 112A 0 84,-2.2 81,-2.8 81,-1.1 2,-0.5 -0.466 51.9-148.6 -73.2 138.2 26.5 34.4 66.9 32 63 A V E -CD 25 111A 4 -7,-3.4 -7,-2.5 79,-0.2 2,-0.6 -0.917 3.2-156.9-109.6 130.4 26.5 37.2 64.4 33 64 A F E -CD 24 110A 0 77,-3.0 77,-2.1 -2,-0.5 -9,-0.2 -0.928 9.8-171.6-109.3 110.4 29.7 38.2 62.7 34 65 A T E -C 23 0A 48 -11,-3.1 -11,-3.0 -2,-0.6 2,-0.1 -0.890 9.9-156.1-106.4 111.2 29.6 41.8 61.5 35 66 A P E +C 22 0A 4 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 -0.480 22.8 179.8 -86.6 157.7 32.6 42.8 59.3 36 67 A D E +C 21 0A 107 -15,-2.3 -15,-1.7 -2,-0.1 2,-0.3 -0.592 37.1 148.8-149.9 72.5 34.0 46.3 58.7 37 68 A L E -CE 20 106A 2 69,-2.3 69,-2.0 -17,-0.2 2,-0.3 -0.803 23.7-178.3-116.9 156.3 36.8 45.4 56.4 38 69 A Q + 0 0 123 -19,-2.2 67,-0.2 -2,-0.3 66,-0.1 -0.937 57.6 42.9-145.2 164.0 38.6 47.1 53.5 39 70 A G S S+ 0 0 46 64,-0.4 2,-0.2 -2,-0.3 66,-0.2 0.638 78.0 130.6 74.3 14.8 41.4 46.3 51.1 40 71 A L - 0 0 10 64,-2.2 -1,-0.2 -21,-0.1 2,-0.2 -0.565 64.2 -92.4 -97.8 164.9 40.3 42.8 50.3 41 72 A S - 0 0 57 -2,-0.2 59,-0.1 1,-0.1 -1,-0.1 -0.525 48.3 -98.4 -77.9 141.3 39.9 41.1 46.9 42 73 A E S S+ 0 0 69 60,-0.2 2,-0.2 -2,-0.2 59,-0.2 -0.255 81.2 46.8 -58.8 138.7 36.4 41.1 45.3 43 74 A G E S-J 100 0B 17 57,-3.0 57,-2.2 213,-0.1 2,-0.3 -0.709 93.6 -41.5 126.3-178.0 34.3 38.0 45.8 44 75 A L E -J 99 0B 33 -2,-0.2 2,-0.4 55,-0.2 55,-0.2 -0.708 55.5-160.5 -87.6 139.9 33.1 35.5 48.3 45 76 A H E -J 98 0B 3 53,-2.3 53,-2.6 -2,-0.3 87,-0.3 -0.972 25.5-105.1-128.0 139.3 35.8 34.3 50.8 46 77 A G - 0 0 0 85,-2.6 83,-2.5 -2,-0.4 2,-0.4 -0.352 39.7-169.6 -56.2 137.0 36.0 31.3 53.0 47 78 A F E +F 128 0A 0 48,-0.4 48,-1.4 81,-0.2 2,-0.3 -0.949 17.9 148.1-139.1 108.9 35.3 32.5 56.6 48 79 A H E -FG 127 94A 0 79,-1.7 79,-3.3 -2,-0.4 2,-0.5 -0.971 48.0-114.5-144.3 159.3 35.9 30.1 59.5 49 80 A I E -F 126 0A 0 44,-2.4 25,-3.1 -2,-0.3 2,-0.3 -0.802 37.3-154.2 -89.2 129.4 36.9 29.9 63.2 50 81 A H E -FH 125 73A 0 75,-2.4 75,-2.0 -2,-0.5 23,-0.2 -0.758 20.1-113.8-104.8 157.3 40.3 28.1 63.4 51 82 A E S S+ 0 0 89 21,-2.5 20,-0.2 -2,-0.3 22,-0.1 0.842 88.4 64.4 -59.1 -44.4 41.5 26.2 66.5 52 83 A N S S- 0 0 65 18,-3.0 2,-2.3 20,-0.2 -2,-0.2 -0.613 78.5-126.1 -91.6 145.1 44.4 28.2 67.8 53 84 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.429 81.3 93.0 -81.2 65.1 44.4 31.8 69.1 54 85 A S - 0 0 30 -2,-2.3 -2,-0.1 98,-0.1 98,-0.1 -0.987 51.5-170.6-158.0 147.4 47.0 32.8 66.6 55 86 A a + 0 0 17 -2,-0.3 12,-0.6 14,-0.1 13,-0.1 0.125 53.6 126.1-122.1 13.8 47.4 34.3 63.2 56 87 A E - 0 0 113 11,-0.2 13,-2.8 10,-0.1 14,-0.4 -0.329 62.0-109.9 -73.6 156.0 51.1 33.7 63.0 57 88 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.260 28.8-157.5 -78.8 171.7 52.7 31.8 60.1 58 89 A K E -K 65 0C 134 7,-1.6 7,-2.8 5,-0.2 2,-0.3 -0.987 26.4 -97.2-151.2 148.0 54.2 28.3 60.3 59 90 A E E -K 64 0C 143 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.500 34.3-176.2 -70.9 126.8 56.7 26.4 58.3 60 91 A E E > S-K 63 0C 113 3,-2.5 3,-1.2 -2,-0.3 -1,-0.0 -0.928 77.3 -27.0-125.8 103.5 55.2 24.0 55.8 61 92 A E T 3 S- 0 0 198 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.924 129.2 -45.4 56.7 46.7 57.8 22.0 54.0 62 93 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 3,-0.0 -1,-0.3 0.452 117.8 115.3 78.4 1.0 60.4 24.7 54.5 63 94 A K E < -K 60 0C 133 -3,-1.2 -3,-2.5 -5,-0.0 2,-0.9 -0.911 67.3-134.7-108.8 115.5 57.9 27.4 53.5 64 95 A L E -K 59 0C 92 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.3 -0.555 35.2-159.4 -68.0 105.5 56.9 30.0 56.1 65 96 A T E > -K 58 0C 39 -7,-2.8 -7,-1.6 -2,-0.9 3,-1.6 -0.794 17.6-105.6-101.8 129.6 53.1 29.9 55.3 66 97 A A T 3 S- 0 0 19 -2,-0.5 82,-0.4 1,-0.2 -10,-0.1 -0.131 93.4 -7.0 -50.9 129.7 50.7 32.6 56.2 67 98 A G T > S+ 0 0 1 -12,-0.6 3,-2.0 1,-0.1 -1,-0.2 0.402 85.2 126.9 66.9 1.4 48.3 31.9 59.1 68 99 A L G X + 0 0 35 -3,-1.6 3,-1.8 1,-0.3 -2,-0.1 0.718 61.5 74.6 -63.7 -18.4 49.2 28.2 59.7 69 100 A G G 3 S+ 0 0 14 -13,-2.8 -1,-0.3 -4,-0.3 -14,-0.1 0.687 84.6 68.5 -65.9 -14.7 49.8 29.0 63.3 70 101 A A G < S- 0 0 0 -3,-2.0 -18,-3.0 -14,-0.4 -1,-0.3 0.641 96.5-148.2 -77.9 -15.1 46.1 29.1 63.6 71 102 A G < - 0 0 15 -3,-1.8 -1,-0.2 -4,-0.2 3,-0.1 -0.373 36.0 -37.0 78.6-161.6 45.8 25.4 63.0 72 103 A G S S- 0 0 26 1,-0.2 -21,-2.5 -22,-0.1 -20,-0.2 -0.100 85.0 -54.3 -88.7-171.2 42.8 23.9 61.2 73 104 A H B -H 50 0A 12 -23,-0.2 2,-0.3 1,-0.1 -23,-0.3 -0.425 69.3 -98.1 -63.7 137.1 39.1 24.6 61.3 74 105 A W + 0 0 32 -25,-3.1 19,-2.1 51,-0.2 20,-0.2 -0.422 53.8 166.6 -61.1 119.9 37.8 24.6 64.8 75 106 A D > + 0 0 38 -2,-0.3 3,-1.7 16,-0.2 5,-0.1 -0.477 9.9 158.2-138.5 64.1 36.3 21.2 65.3 76 107 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.726 78.4 51.9 -60.9 -24.6 35.6 20.6 69.0 77 108 A K T 3 S- 0 0 175 13,-0.1 14,-0.0 -3,-0.1 -3,-0.0 0.379 110.8-119.4 -95.3 4.7 33.0 17.9 68.3 78 109 A G < + 0 0 42 -3,-1.7 13,-0.1 1,-0.1 -3,-0.0 0.882 57.8 153.2 61.9 41.4 35.2 15.9 66.0 79 110 A A - 0 0 28 11,-0.1 12,-0.1 2,-0.1 -1,-0.1 0.861 30.6-163.7 -66.6 -34.7 33.1 16.3 62.9 80 111 A K + 0 0 183 1,-0.1 2,-0.3 -5,-0.1 10,-0.1 0.856 55.8 94.0 50.8 42.2 36.2 15.9 60.8 81 112 A Q S S- 0 0 70 55,-0.0 10,-2.0 61,-0.0 2,-0.4 -0.950 72.3-129.7-160.9 135.3 34.3 17.2 57.8 82 113 A H + 0 0 3 -2,-0.3 55,-0.3 8,-0.2 2,-0.2 -0.742 48.0 132.7 -89.7 137.6 33.9 20.7 56.3 83 114 A G - 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