==== 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 2AQR . 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) . 20713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 64.7 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 . 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 . 45 9.7 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 . 9 1.9 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 3 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 4 8 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 98 0, 0.0 25,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 92.4 7.9 8.2 40.5 2 33 A S - 0 0 73 23,-0.2 2,-0.4 2,-0.0 23,-0.2 -0.866 360.0-165.6-175.0 138.5 10.0 9.2 37.5 3 34 A I E -A 24 0A 11 21,-2.1 21,-3.1 -2,-0.3 2,-0.7 -0.989 12.0-154.8-132.1 121.0 13.4 8.3 35.9 4 35 A E E -A 23 0A 141 -2,-0.4 2,-0.5 19,-0.2 19,-0.2 -0.874 14.0-159.3 -99.2 114.0 14.9 10.6 33.2 5 36 A V E -A 22 0A 2 17,-3.0 17,-1.9 -2,-0.7 2,-0.5 -0.825 10.9-138.8 -98.5 123.3 17.2 8.5 31.0 6 37 A K E -A 21 0A 126 -2,-0.5 2,-0.4 147,-0.3 147,-0.4 -0.676 23.8-158.3 -78.9 124.5 19.9 10.4 29.0 7 38 A V E -A 20 0A 1 13,-2.8 12,-2.5 -2,-0.5 13,-0.9 -0.891 8.3-168.0-111.8 136.2 20.0 8.8 25.5 8 39 A Q E -AB 18 151A 58 143,-2.5 143,-2.2 -2,-0.4 2,-0.3 -0.938 25.9-120.1-123.5 144.3 23.0 9.0 23.1 9 40 A Q E -AB 17 150A 28 8,-3.5 8,-1.6 -2,-0.4 2,-0.4 -0.640 42.1-121.9 -75.8 134.1 23.4 8.1 19.5 10 41 A L + 0 0 19 139,-2.9 56,-0.1 -2,-0.3 6,-0.1 -0.678 44.6 153.3 -90.2 131.8 26.1 5.4 19.3 11 42 A D > - 0 0 43 -2,-0.4 4,-1.9 2,-0.1 54,-0.1 -0.681 19.9-170.5-154.4 90.8 29.3 5.8 17.3 12 43 A P T 4 S+ 0 0 48 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.666 89.1 37.4 -56.9 -18.9 32.3 3.8 18.5 13 44 A V T 4 S+ 0 0 120 2,-0.1 3,-0.1 51,-0.1 -2,-0.1 0.891 126.0 26.7 -98.3 -67.3 34.5 5.6 16.1 14 45 A N T 4 S- 0 0 131 1,-0.2 2,-0.1 0, 0.0 -3,-0.0 0.721 116.9-103.4 -72.4 -22.1 33.5 9.3 15.7 15 46 A G < - 0 0 31 -4,-1.9 -1,-0.2 2,-0.0 -2,-0.1 -0.108 35.4 -74.7 111.5 149.5 32.0 9.4 19.2 16 47 A N - 0 0 60 -4,-0.1 2,-0.3 -6,-0.1 -6,-0.2 -0.279 41.2-154.3 -74.7 163.3 28.6 9.3 20.7 17 48 A K E -A 9 0A 101 -8,-1.6 -8,-3.5 -2,-0.0 2,-0.2 -1.000 22.3-107.0-143.2 138.8 26.2 12.2 20.6 18 49 A D E +A 8 0A 89 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.419 34.0 172.0 -64.9 130.4 23.3 13.3 22.9 19 50 A V E - 0 0 0 -12,-2.5 19,-2.2 1,-0.4 2,-0.3 0.363 52.3 -92.3-119.1 0.3 19.9 12.8 21.2 20 51 A G E -AC 7 37A 20 -13,-0.9 -13,-2.8 17,-0.2 -1,-0.4 -0.941 48.5 -61.9 130.7-150.9 17.7 13.6 24.1 21 52 A T E -AC 6 36A 28 15,-1.7 15,-2.0 -2,-0.3 2,-0.4 -0.908 17.8-146.0-139.7 165.1 15.9 11.7 26.9 22 53 A V E -AC 5 35A 0 -17,-1.9 -17,-3.0 -2,-0.3 2,-0.5 -0.987 21.0-153.5-132.1 119.4 13.4 9.0 27.7 23 54 A T E -AC 4 34A 34 11,-3.1 11,-3.2 -2,-0.4 2,-0.5 -0.855 5.1-156.4 -99.8 127.9 11.4 9.6 30.8 24 55 A I E +AC 3 33A 0 -21,-3.1 -21,-2.1 -2,-0.5 2,-0.3 -0.905 19.6 167.3-106.4 126.6 10.0 6.5 32.6 25 56 A T E - C 0 32A 44 7,-2.3 7,-3.1 -2,-0.5 2,-0.4 -0.893 33.6-111.6-133.0 161.9 6.9 6.9 34.8 26 57 A E E - C 0 31A 85 -25,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.803 31.6-179.9 -98.3 136.4 4.4 4.6 36.5 27 58 A S E > - C 0 30A 26 3,-1.5 3,-1.3 -2,-0.4 216,-0.1 -0.762 46.7 -99.8-122.7 171.9 0.8 4.4 35.4 28 59 A N T 3 S+ 0 0 127 214,-0.6 3,-0.1 -2,-0.3 215,-0.1 0.597 124.9 44.4 -69.2 -8.1 -2.0 2.2 36.7 29 60 A Y T 3 S- 0 0 50 1,-0.4 -1,-0.2 213,-0.2 2,-0.2 0.294 125.5 -70.8-118.5 8.3 -1.4 -0.0 33.7 30 61 A G E < S-C 27 0A 2 -3,-1.3 -3,-1.5 86,-0.2 -1,-0.4 -0.732 75.2 -26.3 130.0-179.9 2.4 -0.3 33.6 31 62 A L E -CD 26 112A 0 84,-2.3 81,-2.8 81,-1.1 2,-0.5 -0.478 51.5-150.3 -73.5 135.7 5.5 1.7 32.9 32 63 A V E -CD 25 111A 3 -7,-3.1 -7,-2.3 79,-0.2 2,-0.7 -0.905 2.4-156.5-108.2 128.7 5.2 4.6 30.4 33 64 A F E -CD 24 110A 0 77,-3.0 77,-2.1 -2,-0.5 -9,-0.2 -0.922 9.9-171.3-107.8 112.2 8.2 5.6 28.3 34 65 A T E -C 23 0A 51 -11,-3.2 -11,-3.1 -2,-0.7 2,-0.1 -0.897 9.2-156.9-108.6 110.5 8.0 9.2 27.1 35 66 A P E +C 22 0A 4 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 -0.454 23.3 179.5 -86.1 158.3 10.6 10.1 24.6 36 67 A D E +C 21 0A 64 -15,-2.0 -15,-1.7 -2,-0.1 2,-0.3 -0.605 38.1 148.1-151.8 73.0 12.0 13.6 23.8 37 68 A L E -CE 20 106A 4 69,-2.3 69,-1.9 -17,-0.2 2,-0.3 -0.806 23.4-178.5-117.8 157.6 14.5 12.6 21.1 38 69 A Q + 0 0 36 -19,-2.2 67,-0.2 -2,-0.3 66,-0.1 -0.942 56.2 43.9-147.4 166.9 15.9 14.2 18.0 39 70 A G S S+ 0 0 9 64,-0.4 2,-0.2 -2,-0.3 66,-0.2 0.672 78.0 132.3 70.7 18.4 18.3 13.5 15.1 40 71 A L - 0 0 8 64,-2.1 -1,-0.2 -21,-0.1 2,-0.2 -0.616 64.1 -93.3 -99.2 161.4 17.1 10.0 14.6 41 72 A S - 0 0 54 -2,-0.2 59,-0.1 1,-0.1 -1,-0.1 -0.502 48.6 -98.9 -75.5 140.6 16.1 8.3 11.3 42 73 A E S S+ 0 0 69 60,-0.2 2,-0.2 -2,-0.2 59,-0.2 -0.260 81.0 45.7 -59.1 138.1 12.5 8.5 10.2 43 74 A G E S-J 100 0B 15 57,-2.7 57,-2.4 213,-0.1 2,-0.4 -0.763 93.9 -38.6 127.6-174.0 10.4 5.4 10.9 44 75 A L E -J 99 0B 33 -2,-0.2 2,-0.4 55,-0.2 55,-0.2 -0.761 55.3-162.3 -91.5 136.3 9.6 2.8 13.5 45 76 A H E -J 98 0B 2 53,-2.5 53,-2.6 -2,-0.4 87,-0.3 -0.963 26.0-105.7-125.8 139.1 12.5 1.6 15.7 46 77 A G - 0 0 0 85,-2.7 83,-2.4 -2,-0.4 2,-0.4 -0.322 39.0-168.2 -56.1 138.0 13.0 -1.4 17.8 47 78 A F E +F 128 0A 0 48,-0.4 48,-1.4 81,-0.2 2,-0.3 -0.954 17.9 149.3-138.4 111.4 12.8 -0.3 21.5 48 79 A H E -FG 127 94A 0 79,-1.8 79,-3.3 -2,-0.4 2,-0.5 -0.972 47.2-115.7-145.2 160.7 13.8 -2.6 24.3 49 80 A I E -F 126 0A 0 44,-2.3 25,-3.0 -2,-0.3 2,-0.3 -0.828 37.8-154.4 -91.6 125.4 15.2 -2.9 27.8 50 81 A H E -FH 125 73A 0 75,-2.5 75,-1.9 -2,-0.5 23,-0.2 -0.729 20.4-113.7-102.5 157.4 18.6 -4.7 27.6 51 82 A E S S+ 0 0 90 21,-2.6 20,-0.2 -2,-0.3 22,-0.1 0.826 88.9 63.0 -57.5 -44.9 20.2 -6.7 30.4 52 83 A N S S- 0 0 68 18,-3.1 2,-2.2 20,-0.2 -2,-0.2 -0.657 76.4-128.8 -94.5 143.9 23.3 -4.7 31.2 53 84 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.406 80.4 93.8 -81.9 62.5 23.5 -1.1 32.6 54 85 A S - 0 0 33 -2,-2.2 -2,-0.1 98,-0.1 98,-0.1 -0.989 49.8-172.7-154.6 144.9 26.0 -0.2 29.8 55 86 A a + 0 0 16 -2,-0.3 12,-0.7 14,-0.1 13,-0.1 0.136 50.2 129.0-122.0 14.9 25.9 1.3 26.3 56 87 A E - 0 0 120 11,-0.2 13,-2.8 10,-0.1 14,-0.4 -0.315 60.9-110.6 -71.5 153.6 29.6 0.7 25.6 57 88 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.370 29.7-154.7 -80.1 164.8 30.6 -1.1 22.4 58 89 A K E -K 65 0C 125 7,-1.9 7,-2.6 5,-0.1 2,-0.2 -0.994 23.7-101.0-142.7 146.8 32.1 -4.6 22.4 59 90 A E E +K 64 0C 116 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.470 39.0 179.7 -67.5 131.8 34.4 -6.4 20.0 60 91 A Q - 0 0 104 3,-1.7 -2,-0.0 -2,-0.2 -1,-0.0 -0.907 68.4 -29.3-140.6 109.1 32.6 -8.8 17.7 61 92 A E S S- 0 0 192 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.911 129.2 -42.5 50.0 49.8 34.5 -10.9 15.2 62 93 A G S S+ 0 0 70 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.873 120.2 107.4 67.8 40.1 37.2 -8.2 14.9 63 94 A K - 0 0 130 -5,-0.0 -3,-1.7 2,-0.0 2,-0.9 -0.886 69.4-132.2-152.9 114.2 34.7 -5.3 14.9 64 95 A L E -K 59 0C 82 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.556 37.4-160.5 -67.5 105.3 34.1 -2.8 17.6 65 96 A T E > -K 58 0C 30 -7,-2.6 -7,-1.9 -2,-0.9 3,-1.3 -0.806 16.7-109.3-100.9 130.4 30.3 -3.0 17.6 66 97 A A T 3 S- 0 0 20 -2,-0.5 82,-0.4 1,-0.2 -10,-0.1 -0.176 90.4 -4.8 -56.7 137.9 28.0 -0.3 19.0 67 98 A G T > S+ 0 0 1 -12,-0.7 3,-1.8 1,-0.1 -1,-0.2 0.421 83.4 128.4 60.5 4.8 26.0 -1.0 22.1 68 99 A L G X + 0 0 33 -3,-1.3 3,-1.8 1,-0.3 -1,-0.1 0.752 62.0 73.3 -62.6 -21.9 27.0 -4.7 22.5 69 100 A G G 3 S+ 0 0 18 -13,-2.8 -1,-0.3 1,-0.3 -14,-0.1 0.756 83.6 69.7 -62.2 -22.1 28.0 -4.0 26.1 70 101 A A G < S- 0 0 0 -3,-1.8 -18,-3.1 -14,-0.4 -1,-0.3 0.652 95.9-147.9 -70.1 -15.7 24.3 -3.7 26.9 71 102 A G < - 0 0 14 -3,-1.8 -1,-0.2 -4,-0.2 3,-0.1 -0.351 35.0 -39.9 78.4-163.2 23.9 -7.5 26.4 72 103 A G S S- 0 0 24 1,-0.2 -21,-2.6 -22,-0.1 -20,-0.2 -0.114 84.8 -52.2 -89.6-170.9 20.7 -9.0 25.0 73 104 A H B -H 50 0A 13 -23,-0.2 -23,-0.3 1,-0.1 2,-0.3 -0.398 67.5-100.3 -63.7 136.4 17.1 -8.3 25.7 74 105 A W + 0 0 35 -25,-3.0 19,-2.1 51,-0.2 18,-0.2 -0.418 51.7 167.4 -60.9 120.1 16.3 -8.3 29.4 75 106 A D > + 0 0 38 -2,-0.3 3,-1.5 16,-0.2 5,-0.1 -0.491 10.3 157.9-138.7 65.7 14.7 -11.6 30.0 76 107 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.711 78.3 51.4 -62.6 -23.9 14.5 -12.3 33.8 77 108 A K T 3 S- 0 0 177 13,-0.1 14,-0.0 -3,-0.1 -3,-0.0 0.349 111.4-118.2 -97.2 6.2 11.7 -14.8 33.4 78 109 A G < + 0 0 44 -3,-1.5 13,-0.1 1,-0.1 -3,-0.0 0.909 57.7 153.4 60.2 47.8 13.5 -16.9 30.8 79 110 A A - 0 0 29 11,-0.1 12,-0.1 2,-0.1 -1,-0.1 0.845 30.3-163.3 -72.3 -33.7 11.1 -16.5 28.0 80 111 A K + 0 0 181 1,-0.1 2,-0.3 -5,-0.1 10,-0.1 0.841 56.9 91.2 51.5 39.9 13.9 -17.0 25.5 81 112 A Q S S- 0 0 78 55,-0.0 10,-1.9 61,-0.0 2,-0.4 -0.950 73.8-127.1-161.9 136.8 11.8 -15.5 22.8 82 113 A H + 0 0 2 -2,-0.3 55,-0.3 8,-0.2 2,-0.2 -0.713 49.0 133.2 -87.7 138.1 11.2 -12.1 21.4 83 114 A G - 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