==== 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 2AQT . 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) . 20754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 63.7 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 . 41 8.8 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 5 7 3 0 3 0 6 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 C A 0 0 118 0, 0.0 25,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.9 30.8 -11.4 -5.2 2 33 C S E -A 25 0A 70 23,-0.1 2,-0.5 2,-0.0 23,-0.2 -0.981 360.0-131.9-154.0 163.7 31.5 -8.3 -3.2 3 34 C I E -A 24 0A 9 21,-2.5 21,-3.3 -2,-0.3 2,-0.7 -0.984 17.1-157.4-122.0 118.6 30.5 -6.5 -0.0 4 35 C E E -A 23 0A 104 -2,-0.5 2,-0.6 19,-0.2 19,-0.2 -0.877 10.6-163.5 -99.0 115.7 29.8 -2.8 -0.3 5 36 C V E -A 22 0A 3 17,-2.5 17,-1.9 -2,-0.7 2,-0.5 -0.889 12.9-140.2-102.8 121.0 30.2 -1.1 3.0 6 37 C K E -A 21 0A 123 -2,-0.6 2,-0.4 147,-0.3 147,-0.4 -0.691 23.4-154.7 -79.2 125.0 28.7 2.4 3.4 7 38 C V E -A 20 0A 2 13,-2.8 12,-2.4 -2,-0.5 13,-1.0 -0.869 9.6-166.6-108.8 135.5 31.2 4.5 5.4 8 39 C Q E -AB 18 151A 66 143,-2.7 143,-2.4 -2,-0.4 2,-0.4 -0.940 26.0-122.3-123.8 143.9 30.3 7.5 7.6 9 40 C Q E -AB 17 150A 55 8,-3.1 8,-1.6 -2,-0.4 2,-0.4 -0.648 43.8-122.0 -74.7 130.7 32.4 10.2 9.2 10 41 C L + 0 0 20 139,-3.1 56,-0.1 -2,-0.4 3,-0.1 -0.663 42.5 160.3 -86.2 132.0 31.5 9.9 12.9 11 42 C D > - 0 0 32 -2,-0.4 4,-2.4 1,-0.1 -2,-0.0 -0.699 15.7-176.5-150.1 88.9 30.0 12.9 14.7 12 43 C P T 4 S+ 0 0 23 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.734 86.1 51.7 -58.2 -22.4 28.1 12.0 18.0 13 44 C V T 4 S+ 0 0 13 2,-0.1 3,-0.1 1,-0.1 317,-0.1 0.979 126.8 11.4 -80.2 -63.8 27.2 15.7 18.3 14 45 C N T 4 S- 0 0 86 1,-0.2 -1,-0.1 315,-0.0 2,-0.0 0.472 115.3 -93.6 -98.1 -3.5 25.6 16.7 14.9 15 46 C G < - 0 0 36 -4,-2.4 -1,-0.2 2,-0.0 -2,-0.1 0.083 45.4 -69.3 102.9 144.7 25.2 13.3 13.4 16 47 C N - 0 0 61 -4,-0.1 2,-0.4 -3,-0.1 -6,-0.2 -0.232 42.7-150.0 -66.7 154.9 27.2 11.1 11.0 17 48 C K E -A 9 0A 143 -8,-1.6 -8,-3.1 0, 0.0 2,-0.1 -0.994 21.7-109.5-130.6 135.4 27.8 12.1 7.4 18 49 C D E +A 8 0A 120 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.398 34.0 172.9 -61.9 130.3 28.3 9.8 4.4 19 50 C V E - 0 0 7 -12,-2.4 19,-2.0 1,-0.4 2,-0.3 0.378 53.7 -90.2-117.2 -1.8 31.9 10.0 3.1 20 51 C G E -AC 7 37A 26 -13,-1.0 -13,-2.8 17,-0.2 -1,-0.4 -0.951 49.7 -59.2 134.3-153.3 31.6 7.1 0.6 21 52 C T E -AC 6 36A 27 15,-1.8 15,-2.4 -2,-0.3 2,-0.4 -0.879 16.5-150.7-135.1 164.6 32.1 3.4 0.4 22 53 C V E -AC 5 35A 0 -17,-1.9 -17,-2.5 -2,-0.3 2,-0.5 -0.973 23.0-155.3-134.2 115.4 34.7 0.7 0.8 23 54 C T E -AC 4 34A 32 11,-3.1 11,-3.1 -2,-0.4 2,-0.5 -0.848 3.3-153.5-100.2 129.4 34.0 -2.3 -1.4 24 55 C I E +AC 3 33A 0 -21,-3.3 -21,-2.5 -2,-0.5 2,-0.3 -0.876 20.8 164.8-105.6 129.6 35.4 -5.7 -0.4 25 56 C T E -AC 2 32A 47 7,-2.1 7,-3.1 -2,-0.5 2,-0.4 -0.881 33.7-111.2-134.9 165.4 36.2 -8.4 -3.0 26 57 C E E - C 0 31A 87 -25,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.832 29.8-179.0-103.8 139.2 38.1 -11.7 -3.0 27 58 C S E > - C 0 30A 45 3,-1.6 3,-1.3 -2,-0.4 0, 0.0 -0.773 46.9-100.2-123.9 171.3 41.4 -12.2 -4.9 28 59 C N T 3 S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.513 125.4 44.6 -71.2 -0.8 43.5 -15.3 -5.1 29 60 C Y T 3 S- 0 0 173 1,-0.5 -1,-0.2 86,-0.0 2,-0.2 0.259 125.8 -67.2-126.1 10.9 45.7 -13.6 -2.5 30 61 C G E < S-C 27 0A 2 -3,-1.3 -3,-1.6 86,-0.2 -1,-0.5 -0.691 73.4 -33.4 129.8 177.0 43.2 -12.3 0.0 31 62 C L E -CD 26 112A 0 84,-1.8 81,-2.5 81,-1.0 2,-0.4 -0.509 51.5-147.4 -74.8 136.3 40.4 -9.8 0.5 32 63 C V E -CD 25 111A 30 -7,-3.1 -7,-2.1 -2,-0.2 2,-0.6 -0.886 3.2-156.0-106.7 132.7 40.8 -6.5 -1.4 33 64 C F E -CD 24 110A 0 77,-2.9 77,-2.2 -2,-0.4 -9,-0.2 -0.940 10.6-171.4-111.0 111.4 39.4 -3.3 0.1 34 65 C T E -C 23 0A 52 -11,-3.1 -11,-3.1 -2,-0.6 2,-0.2 -0.900 9.3-156.5-108.6 110.4 38.6 -0.7 -2.5 35 66 C P E -C 22 0A 3 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.483 22.7-179.6 -86.1 156.2 37.7 2.7 -1.2 36 67 C D E +C 21 0A 105 -15,-2.4 -15,-1.8 -2,-0.2 2,-0.3 -0.621 38.1 146.8-148.9 73.4 35.7 5.5 -2.8 37 68 C L E +CE 20 106A 3 69,-2.4 69,-2.1 -17,-0.2 2,-0.3 -0.806 23.2 179.6-118.1 157.7 35.9 8.1 -0.1 38 69 C Q + 0 0 131 -19,-2.0 67,-0.2 -2,-0.3 66,-0.1 -0.948 53.4 51.1-149.5 167.5 36.0 11.9 0.1 39 70 C G S S+ 0 0 41 64,-0.3 2,-0.2 -2,-0.3 66,-0.1 0.633 76.3 129.6 78.3 16.0 36.1 14.8 2.6 40 71 C L - 0 0 3 64,-2.0 -1,-0.3 -21,-0.1 2,-0.2 -0.669 65.8 -98.1-104.1 157.7 39.0 13.4 4.6 41 72 C S - 0 0 25 -2,-0.2 59,-0.1 1,-0.1 62,-0.1 -0.505 50.3-102.4 -71.8 138.7 42.3 15.1 5.7 42 73 C E S S+ 0 0 66 60,-0.3 2,-0.2 -2,-0.2 59,-0.2 -0.249 79.3 58.2 -63.2 148.6 45.2 14.2 3.4 43 74 C G E S-J 100 0B 34 57,-3.0 57,-2.4 -3,-0.1 2,-0.3 -0.727 94.3 -41.4 126.0-177.0 47.7 11.7 4.5 44 75 C L E -J 99 0B 102 -2,-0.2 2,-0.4 55,-0.2 55,-0.2 -0.688 56.2-158.2 -86.4 138.3 47.8 8.0 5.5 45 76 C H E -J 98 0B 2 53,-2.7 53,-2.6 -2,-0.3 87,-0.3 -0.958 24.3-105.8-122.3 139.8 45.0 6.9 7.8 46 77 C G - 0 0 0 85,-2.6 83,-2.7 -2,-0.4 2,-0.4 -0.367 38.9-170.4 -59.1 136.1 44.8 4.0 10.2 47 78 C F E +F 128 0A 0 48,-0.4 48,-1.3 81,-0.2 2,-0.3 -0.947 16.2 151.2-137.9 108.7 42.5 1.4 8.6 48 79 C H E -FG 127 94A 0 79,-1.9 79,-3.2 -2,-0.4 2,-0.5 -0.953 45.3-119.3-140.0 160.0 41.3 -1.7 10.6 49 80 C I E -F 126 0A 0 44,-2.3 25,-2.9 -2,-0.3 2,-0.3 -0.861 37.7-150.9 -94.7 127.4 38.5 -4.2 11.0 50 81 C H E -FH 125 73A 0 75,-2.4 75,-1.9 -2,-0.5 23,-0.2 -0.707 19.2-111.7-102.0 156.0 37.1 -3.9 14.6 51 82 C E S S+ 0 0 88 21,-2.8 20,-0.2 -2,-0.3 22,-0.1 0.825 90.8 58.4 -51.9 -48.5 35.5 -6.6 16.7 52 83 C N S S- 0 0 58 18,-3.1 2,-2.3 20,-0.2 -2,-0.2 -0.649 79.0-125.1 -95.5 147.1 31.8 -5.5 16.8 53 84 C P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.459 81.5 97.2 -81.9 66.6 29.4 -5.0 13.9 54 85 C S - 0 0 30 -2,-2.3 -2,-0.1 98,-0.1 98,-0.1 -0.992 50.7-172.6-155.4 148.1 28.7 -1.5 15.3 55 86 C a + 0 0 15 -2,-0.3 12,-0.6 14,-0.1 13,-0.1 0.123 50.2 130.3-124.5 14.7 29.8 2.1 14.7 56 87 C E - 0 0 120 11,-0.2 13,-3.2 10,-0.1 14,-0.4 -0.340 56.6-118.7 -71.0 151.1 27.9 3.5 17.7 57 88 C P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.332 27.1-158.5 -83.5 171.0 29.7 5.8 20.2 58 89 C K E -K 65 0C 113 7,-1.7 7,-2.8 5,-0.1 2,-0.2 -0.994 28.0 -90.1-151.0 152.1 30.1 5.0 23.9 59 90 C E E +K 64 0C 133 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.444 46.8 168.7 -65.0 126.9 30.7 6.9 27.1 60 91 C Q - 0 0 106 3,-2.2 3,-0.0 -2,-0.2 -2,-0.0 -0.885 68.8 -20.3-145.8 109.2 34.4 7.2 27.9 61 92 C E S S- 0 0 186 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.954 130.2 -44.1 56.7 54.5 35.7 9.5 30.6 62 93 C G S S+ 0 0 69 1,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.741 120.8 91.5 66.0 28.2 32.5 11.5 30.7 63 94 C Q S S- 0 0 30 -5,-0.1 -3,-2.2 -3,-0.0 2,-1.0 -0.981 80.6-111.4-154.6 141.2 32.0 12.0 27.0 64 95 C L E -K 59 0C 65 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.595 44.5-153.9 -71.6 104.5 30.1 10.2 24.1 65 96 C T E > -K 58 0C 37 -7,-2.8 -7,-1.7 -2,-1.0 3,-1.4 -0.736 16.0-110.3 -92.5 126.0 33.2 8.9 22.2 66 97 C A T 3 S- 0 0 12 -2,-0.5 82,-0.5 1,-0.2 -10,-0.1 -0.181 90.1 -5.8 -53.9 132.5 32.9 8.3 18.5 67 98 C G T > S+ 0 0 1 -12,-0.6 3,-1.8 1,-0.1 -1,-0.2 0.428 83.7 128.8 64.7 4.3 33.0 4.7 17.3 68 99 C L G X + 0 0 29 -3,-1.4 3,-2.1 1,-0.3 -2,-0.1 0.781 61.5 73.6 -61.7 -24.9 33.7 3.0 20.7 69 100 C G G 3 S+ 0 0 4 -13,-3.2 -1,-0.3 1,-0.3 -14,-0.1 0.747 83.4 69.6 -59.8 -22.7 30.8 0.7 20.1 70 101 C A G < S- 0 0 0 -3,-1.8 -18,-3.1 -14,-0.4 -1,-0.3 0.656 95.9-147.7 -69.7 -16.4 32.9 -1.1 17.5 71 102 C G < - 0 0 13 -3,-2.1 -1,-0.2 -4,-0.2 3,-0.1 -0.293 36.3 -37.5 76.4-168.2 35.2 -2.5 20.3 72 103 C G S S- 0 0 27 1,-0.2 -21,-2.8 -22,-0.1 -20,-0.2 0.002 86.5 -51.3 -82.0-171.5 38.9 -3.0 19.7 73 104 C H B -H 50 0A 9 -23,-0.2 -23,-0.3 1,-0.1 2,-0.2 -0.411 69.9 -99.2 -62.0 132.8 40.9 -4.3 16.7 74 105 C W + 0 0 26 -25,-2.9 19,-2.1 51,-0.2 18,-0.2 -0.370 54.4 165.5 -56.8 119.1 39.4 -7.6 15.5 75 106 C D > + 0 0 34 -2,-0.2 3,-1.7 16,-0.2 5,-0.1 -0.435 12.8 155.1-141.2 63.1 41.7 -10.2 17.0 76 107 C P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.599 78.7 55.5 -66.8 -11.5 40.0 -13.7 16.8 77 108 C K T 3 S- 0 0 154 13,-0.1 14,-0.0 -3,-0.1 -3,-0.0 0.379 109.2-121.8-101.8 2.9 43.5 -15.3 17.0 78 109 C G < + 0 0 35 -3,-1.7 13,-0.1 1,-0.1 -3,-0.1 0.816 58.7 149.5 63.1 34.5 44.5 -13.6 20.2 79 110 C A - 0 0 26 11,-0.2 12,-0.1 1,-0.1 -1,-0.1 0.860 32.8-164.3 -63.7 -35.3 47.6 -11.9 18.8 80 111 C K + 0 0 166 -5,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.687 55.1 84.8 56.4 23.3 47.0 -9.1 21.4 81 112 C Q S S- 0 0 75 61,-0.0 10,-1.5 8,-0.0 2,-0.3 -0.994 76.8-118.0-151.0 148.7 49.3 -6.8 19.6 82 113 C H + 0 0 5 -2,-0.3 55,-0.3 8,-0.2 2,-0.2 -0.663 50.9 127.6 -88.0 141.4 49.1 -4.4 16.6 83 114 C G - 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