==== 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 2AQN . 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, . 465 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 64.1 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 . 157 33.8 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 . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.0 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 2 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 . 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 69 0, 0.0 2,-0.1 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0-168.7 27.1 40.8 73.3 2 33 A S + 0 0 76 23,-0.1 2,-0.5 2,-0.0 23,-0.2 -0.516 360.0 163.0-171.6 130.3 30.4 42.0 71.8 3 34 A I E -A 24 0A 9 21,-2.2 21,-2.8 -2,-0.1 2,-0.7 -0.991 23.7-153.7-123.4 119.7 34.0 41.1 70.8 4 35 A E E -A 23 0A 146 -2,-0.5 2,-0.5 19,-0.2 19,-0.2 -0.851 13.6-160.8 -94.9 113.4 35.8 43.4 68.3 5 36 A V E -A 22 0A 2 17,-3.1 17,-1.9 -2,-0.7 2,-0.5 -0.843 10.7-140.2 -98.9 123.1 38.4 41.4 66.4 6 37 A K E -A 21 0A 113 -2,-0.5 147,-0.4 147,-0.4 2,-0.4 -0.749 23.1-157.6 -80.3 126.9 41.3 43.3 64.7 7 38 A V E -A 20 0A 1 13,-3.0 12,-2.6 -2,-0.5 13,-0.8 -0.895 8.8-168.1-113.6 138.6 42.0 41.6 61.3 8 39 A Q E -AB 18 151A 52 143,-2.6 143,-2.3 -2,-0.4 2,-0.3 -0.969 26.2-120.2-125.9 142.9 45.2 41.8 59.3 9 40 A Q E -AB 17 150A 65 8,-2.8 8,-1.7 -2,-0.4 2,-0.5 -0.628 42.1-123.7 -67.5 132.3 46.1 40.9 55.8 10 41 A L + 0 0 19 139,-2.7 56,-0.1 -2,-0.3 6,-0.1 -0.736 44.6 152.6 -94.6 126.6 48.9 38.3 56.1 11 42 A D > - 0 0 45 -2,-0.5 4,-2.5 1,-0.1 54,-0.1 -0.720 18.0-173.4-148.3 94.7 52.3 38.7 54.5 12 43 A P T 4 S+ 0 0 51 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.776 86.6 42.1 -60.1 -26.4 55.1 36.9 56.2 13 44 A V T 4 S+ 0 0 127 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.959 127.6 22.7 -85.1 -55.9 57.7 38.5 53.9 14 45 A N T 4 S- 0 0 130 1,-0.2 -1,-0.1 0, 0.0 2,-0.0 0.554 117.0 -90.1 -93.7 -12.8 56.7 42.1 53.6 15 46 A G < - 0 0 31 -4,-2.5 -1,-0.2 2,-0.0 -2,-0.1 0.043 35.6 -85.7 115.1 136.9 54.6 42.6 56.7 16 47 A N - 0 0 56 -4,-0.1 2,-0.4 -6,-0.1 -6,-0.2 -0.434 40.0-152.3 -74.3 154.9 51.0 42.3 57.8 17 48 A K E -A 9 0A 133 -8,-1.7 -8,-2.8 -2,-0.1 2,-0.2 -0.987 19.2-111.2-132.7 136.1 48.6 45.1 57.3 18 49 A D E +A 8 0A 98 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.436 33.9 171.3 -60.9 131.2 45.5 46.2 59.1 19 50 A V E - 0 0 11 -12,-2.6 19,-2.2 1,-0.4 2,-0.3 0.349 50.0 -94.5-124.2 6.6 42.3 45.7 57.1 20 51 A G E -AC 7 37A 20 -13,-0.8 -13,-3.0 17,-0.2 -1,-0.4 -0.898 49.1 -55.2 122.9-151.9 39.7 46.4 59.7 21 52 A T E -AC 6 36A 28 15,-2.0 15,-2.7 -2,-0.3 2,-0.4 -0.874 15.9-149.4-131.9 162.5 37.6 44.5 62.2 22 53 A V E -AC 5 35A 0 -17,-1.9 -17,-3.1 -2,-0.3 2,-0.5 -0.989 23.1-155.6-125.3 121.6 35.1 41.7 62.6 23 54 A T E -AC 4 34A 33 11,-2.7 11,-3.1 -2,-0.4 2,-0.5 -0.896 4.3-155.6-102.5 129.5 32.7 42.3 65.5 24 55 A I E +AC 3 33A 0 -21,-2.8 -21,-2.2 -2,-0.5 2,-0.3 -0.910 19.7 166.8-107.2 124.5 31.1 39.2 67.1 25 56 A T E - C 0 32A 41 7,-2.2 7,-2.8 -2,-0.5 2,-0.4 -0.881 33.5-110.6-130.5 162.8 27.7 39.5 68.9 26 57 A E E + C 0 31A 85 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.787 31.8 179.8 -92.2 138.1 25.1 37.2 70.2 27 58 A S E > - C 0 30A 25 3,-1.3 3,-1.2 -2,-0.4 216,-0.1 -0.818 46.8-101.0-122.9 173.5 21.7 36.9 68.7 28 59 A N T 3 S+ 0 0 128 214,-0.6 3,-0.1 -2,-0.3 215,-0.1 0.545 124.3 44.9 -69.4 -5.1 18.7 34.7 69.6 29 60 A Y T 3 S- 0 0 47 1,-0.5 -1,-0.2 213,-0.2 2,-0.2 0.302 125.7 -72.2-121.3 4.3 19.8 32.5 66.7 30 61 A G E < S-C 27 0A 3 -3,-1.2 -3,-1.3 86,-0.2 -1,-0.5 -0.754 75.6 -26.5 129.8-178.0 23.5 32.2 67.2 31 62 A L E -CD 26 112A 0 84,-2.2 81,-3.0 81,-1.1 2,-0.5 -0.479 51.7-148.7 -76.8 138.2 26.6 34.4 66.8 32 63 A V E -CD 25 111A 4 -7,-2.8 -7,-2.2 79,-0.2 2,-0.6 -0.906 2.4-156.4-109.4 130.4 26.7 37.2 64.3 33 64 A F E -CD 24 110A 0 77,-3.0 77,-1.9 -2,-0.5 -9,-0.2 -0.929 10.3-172.2-110.1 109.5 29.9 38.2 62.6 34 65 A T E -C 23 0A 52 -11,-3.1 -11,-2.7 -2,-0.6 2,-0.1 -0.893 10.6-156.2-111.1 106.3 29.8 41.8 61.4 35 66 A P E -C 22 0A 3 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.474 22.1-179.2 -81.4 155.4 32.7 42.8 59.2 36 67 A D E +C 21 0A 83 -15,-2.7 -15,-2.0 -2,-0.1 2,-0.3 -0.638 35.7 151.1-142.5 79.2 34.1 46.2 58.6 37 68 A L E -CE 20 106A 0 69,-2.4 69,-2.0 -17,-0.2 2,-0.3 -0.849 24.2-174.9-122.8 152.2 37.0 45.4 56.3 38 69 A Q + 0 0 86 -19,-2.2 67,-0.2 -2,-0.3 66,-0.1 -0.942 59.3 38.2-138.0 154.7 38.8 47.2 53.5 39 70 A G S S+ 0 0 56 64,-0.4 2,-0.2 -2,-0.3 66,-0.2 0.672 77.1 131.3 83.4 17.6 41.4 46.4 51.0 40 71 A L - 0 0 11 64,-2.3 -1,-0.3 -21,-0.1 2,-0.2 -0.591 62.9 -92.9-101.7 165.1 40.4 42.8 50.1 41 72 A S - 0 0 52 -2,-0.2 59,-0.1 1,-0.1 -1,-0.1 -0.511 48.0 -98.9 -78.2 138.8 39.9 41.2 46.7 42 73 A E S S+ 0 0 71 60,-0.2 2,-0.2 -2,-0.2 59,-0.2 -0.300 81.0 55.2 -56.7 136.6 36.4 41.2 45.2 43 74 A G E S-J 100 0B 16 57,-2.5 57,-2.5 -3,-0.1 2,-0.4 -0.778 91.4 -49.4 139.3-178.9 34.5 38.0 45.7 44 75 A L E -J 99 0B 33 -2,-0.2 2,-0.4 55,-0.2 55,-0.2 -0.759 54.9-162.6 -87.2 133.9 33.2 35.5 48.1 45 76 A H E -J 98 0B 3 53,-2.4 53,-2.5 -2,-0.4 87,-0.3 -0.974 24.9-106.3-123.7 138.6 35.9 34.3 50.6 46 77 A G - 0 0 0 85,-2.8 83,-2.6 -2,-0.4 2,-0.4 -0.340 37.5-170.0 -58.8 138.9 36.0 31.3 52.9 47 78 A F E +F 128 0A 1 48,-0.4 48,-1.5 81,-0.2 2,-0.3 -0.978 16.9 152.2-140.7 110.5 35.5 32.5 56.5 48 79 A H E -FG 127 94A 0 79,-1.8 79,-2.8 -2,-0.4 2,-0.5 -0.990 46.4-113.4-143.8 150.7 36.1 30.1 59.3 49 80 A I E -F 126 0A 0 44,-2.5 25,-2.8 -2,-0.3 2,-0.2 -0.811 36.9-154.6 -77.8 129.2 37.1 29.8 63.0 50 81 A H E -FH 125 73A 0 75,-2.2 75,-1.9 -2,-0.5 23,-0.2 -0.662 20.0-115.2-105.7 159.6 40.5 28.1 63.2 51 82 A E S S+ 0 0 87 21,-2.6 20,-0.2 -2,-0.2 22,-0.1 0.854 87.0 62.6 -70.5 -37.7 41.6 26.2 66.3 52 83 A N S S- 0 0 67 18,-2.9 2,-2.1 20,-0.2 -2,-0.2 -0.647 79.1-123.6 -96.7 146.3 44.6 28.2 67.6 53 84 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.464 81.2 95.7 -80.0 66.2 44.6 31.8 68.9 54 85 A S - 0 0 29 -2,-2.1 -2,-0.1 98,-0.1 98,-0.1 -0.972 49.8-173.0-155.1 141.6 47.3 32.7 66.4 55 86 A a + 0 0 14 -2,-0.3 12,-0.6 14,-0.1 13,-0.1 0.082 53.8 125.4-116.5 16.0 47.6 34.3 63.0 56 87 A E - 0 0 114 11,-0.2 13,-3.1 10,-0.1 14,-0.4 -0.306 62.4-111.5 -72.8 154.8 51.3 33.6 62.8 57 88 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.311 27.6-160.9 -76.9 171.2 52.8 31.7 59.9 58 89 A K E -K 65 0C 134 7,-1.5 7,-2.6 5,-0.1 10,-0.2 -0.976 26.8 -99.2-149.4 149.4 54.4 28.3 60.1 59 90 A E E -K 64 0C 116 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.473 32.6-174.5 -73.2 142.0 56.8 26.4 57.8 60 91 A K E > S-K 63 0C 140 3,-2.5 3,-1.2 -2,-0.2 -2,-0.0 -0.944 78.4 -18.6-137.7 117.7 55.3 23.9 55.5 61 92 A E T 3 S- 0 0 196 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.902 130.8 -51.4 50.1 45.0 57.8 21.9 53.5 62 93 A G T 3 S+ 0 0 55 1,-0.2 2,-0.6 3,-0.0 -1,-0.2 0.498 116.1 115.3 75.4 7.5 60.4 24.7 54.4 63 94 A K E < -K 60 0C 140 -3,-1.2 -3,-2.5 -5,-0.0 2,-0.6 -0.945 69.1-130.5-111.1 119.9 58.2 27.5 53.2 64 95 A L E -K 59 0C 87 -2,-0.6 2,-0.5 -5,-0.3 -5,-0.3 -0.619 36.0-159.1 -70.1 110.7 57.0 30.0 55.9 65 96 A T E > -K 58 0C 40 -7,-2.6 3,-1.6 -2,-0.6 -7,-1.5 -0.837 17.4-104.8-112.3 128.4 53.3 30.0 55.1 66 97 A A T 3 S- 0 0 21 -2,-0.5 82,-0.4 1,-0.2 -10,-0.1 -0.154 93.8 -6.2 -49.2 130.9 50.8 32.7 56.0 67 98 A G T > S+ 0 0 1 -12,-0.6 3,-1.9 1,-0.1 -1,-0.2 0.410 85.7 126.6 71.8 3.0 48.4 31.9 58.8 68 99 A L G X + 0 0 43 -3,-1.6 3,-1.7 1,-0.3 -2,-0.1 0.726 60.3 74.3 -71.8 -17.6 49.4 28.3 59.4 69 100 A G G 3 S+ 0 0 14 -13,-3.1 -1,-0.3 -4,-0.3 -14,-0.1 0.687 84.6 69.5 -61.7 -20.2 50.0 29.0 63.1 70 101 A A G < S- 0 0 0 -3,-1.9 -18,-2.9 -14,-0.4 -1,-0.3 0.636 95.4-149.8 -73.2 -12.1 46.2 29.1 63.4 71 102 A G < - 0 0 16 -3,-1.7 -1,-0.2 -20,-0.2 3,-0.1 -0.344 35.1 -35.1 69.6-158.0 45.9 25.4 62.8 72 103 A G S S- 0 0 27 1,-0.2 -21,-2.6 -22,-0.1 -20,-0.2 -0.130 84.4 -55.6 -90.8-173.5 43.0 23.8 61.1 73 104 A H B -H 50 0A 12 -23,-0.2 -23,-0.3 1,-0.1 2,-0.3 -0.404 67.9 -98.6 -60.1 136.4 39.3 24.5 61.2 74 105 A W + 0 0 34 -25,-2.8 19,-2.3 51,-0.2 20,-0.2 -0.452 53.9 164.8 -63.4 122.5 37.9 24.5 64.7 75 106 A D > + 0 0 38 -2,-0.3 3,-1.7 16,-0.2 5,-0.1 -0.463 10.9 157.0-142.6 62.3 36.4 21.1 65.2 76 107 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.743 78.9 53.2 -65.9 -22.9 35.8 20.4 68.9 77 108 A K T 3 S- 0 0 176 13,-0.1 14,-0.0 -3,-0.1 -3,-0.0 0.468 110.6-119.9 -93.7 2.6 33.1 17.8 68.2 78 109 A G < + 0 0 24 -3,-1.7 13,-0.1 1,-0.1 -3,-0.0 0.884 57.8 151.7 70.8 35.7 35.3 15.8 65.8 79 110 A A - 0 0 30 11,-0.1 12,-0.1 2,-0.1 3,-0.1 0.875 30.9-163.7 -65.4 -37.5 33.2 16.2 62.7 80 111 A K + 0 0 174 1,-0.1 2,-0.3 -5,-0.1 10,-0.1 0.773 55.7 92.8 56.7 36.6 36.3 15.8 60.6 81 112 A Q S S- 0 0 73 55,-0.0 10,-1.8 61,-0.0 2,-0.3 -0.951 73.1-127.0-155.3 137.7 34.5 17.2 57.6 82 113 A H + 0 0 3 -2,-0.3 55,-0.3 8,-0.2 2,-0.2 -0.686 48.8 136.9 -85.3 140.0 34.0 20.7 56.1 83 114 A G - 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