==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-APR-05 1Z9P . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS DUCREYI; . AUTHOR K.DJINOVIC CARUGO,I.TOEROE . 310 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 64.2 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 . 104 33.5 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 . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 3 0 3 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 23 A E 0 0 177 0, 0.0 25,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.9 -11.7 4.9 17.6 2 24 A K - 0 0 102 23,-0.1 2,-0.5 116,-0.0 23,-0.2 -0.977 360.0-126.8-138.3 142.4 -8.3 3.4 18.3 3 25 A I E -A 24 0A 13 21,-2.6 21,-2.5 -2,-0.3 2,-0.7 -0.810 28.8-148.5 -81.9 129.0 -6.4 0.2 17.9 4 26 A V E -A 23 0A 71 -2,-0.5 19,-0.2 19,-0.2 151,-0.2 -0.884 12.2-166.2-101.6 110.0 -5.0 -0.7 21.3 5 27 A V E -A 22 0A 0 17,-3.1 17,-1.9 -2,-0.7 2,-0.4 -0.894 12.5-143.2 -98.2 113.8 -1.7 -2.5 20.9 6 28 A P E -A 21 0A 85 0, 0.0 2,-0.4 0, 0.0 147,-0.3 -0.607 22.1-159.8 -71.3 133.3 -0.4 -4.2 24.0 7 29 A V E - 0 0 3 13,-2.9 12,-2.3 -2,-0.4 13,-0.5 -0.919 9.1-167.4-120.4 140.2 3.4 -3.9 24.1 8 30 A Q E -AB 18 151A 64 143,-2.5 143,-2.5 -2,-0.4 2,-0.4 -0.952 26.5-119.6-120.8 146.1 5.9 -6.0 26.1 9 31 A Q E -AB 17 150A 71 8,-2.9 8,-2.2 -2,-0.4 2,-0.4 -0.683 44.8-118.1 -73.5 133.8 9.6 -5.6 26.8 10 32 A L + 0 0 20 139,-2.6 56,-0.1 -2,-0.4 6,-0.1 -0.650 46.2 154.9 -90.9 128.1 11.3 -8.6 25.3 11 33 A D > - 0 0 49 -2,-0.4 4,-2.3 1,-0.1 138,-0.0 -0.791 16.4-173.0-145.8 96.9 13.2 -11.1 27.4 12 34 A P T 4 S+ 0 0 45 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.717 85.2 47.2 -64.5 -25.3 13.3 -14.6 25.7 13 35 A Q T 4 S+ 0 0 144 2,-0.1 3,-0.1 51,-0.1 -2,-0.0 0.927 127.1 20.3 -81.6 -50.2 14.9 -16.2 28.7 14 36 A N T 4 S- 0 0 140 1,-0.2 -1,-0.1 3,-0.0 2,-0.0 0.475 116.0 -96.0-104.6 -9.0 12.8 -15.0 31.6 15 37 A G < - 0 0 40 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.1 0.179 43.8 -70.3 103.0 142.2 9.6 -13.9 29.7 16 38 A N - 0 0 57 -4,-0.1 2,-0.4 -6,-0.1 -6,-0.2 -0.103 42.7-141.0 -56.6 156.6 8.3 -10.7 28.4 17 39 A K E -A 9 0A 97 -8,-2.2 -8,-2.9 2,-0.0 2,-0.1 -0.987 20.7-112.5-122.6 133.3 7.2 -7.9 30.7 18 40 A D E +A 8 0A 106 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.445 34.3 172.9 -60.2 133.7 4.2 -5.7 30.1 19 41 A V E - 0 0 0 -12,-2.3 19,-2.1 1,-0.4 2,-0.3 0.185 49.2 -98.9-126.4 17.6 5.1 -2.1 29.4 20 42 A G E - C 0 37A 21 -13,-0.5 -13,-2.9 17,-0.2 -1,-0.4 -0.797 48.6 -60.5 108.7-150.2 1.7 -0.6 28.4 21 43 A T E -AC 6 36A 36 15,-1.9 15,-3.2 -2,-0.3 2,-0.4 -0.854 19.9-140.5-135.4 163.8 0.1 0.1 25.1 22 44 A V E -AC 5 35A 0 -17,-1.9 -17,-3.1 -2,-0.3 2,-0.5 -0.997 22.8-148.8-122.4 130.3 0.3 2.1 21.9 23 45 A E E -AC 4 34A 22 11,-2.9 11,-3.1 -2,-0.4 2,-0.5 -0.852 6.5-157.5 -97.2 131.9 -2.9 3.5 20.6 24 46 A I E +AC 3 33A 0 -21,-2.5 -21,-2.6 -2,-0.5 2,-0.3 -0.946 18.4 170.1-113.8 124.0 -3.3 3.9 16.8 25 47 A T E - C 0 32A 44 7,-2.1 7,-2.8 -2,-0.5 2,-0.5 -0.886 32.9-113.2-125.5 162.9 -5.8 6.4 15.4 26 48 A E E - C 0 31A 78 -25,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.827 32.7-179.8 -97.3 127.9 -6.7 7.9 12.1 27 49 A S E > - C 0 30A 28 3,-1.7 3,-1.3 -2,-0.5 216,-0.1 -0.745 46.2-101.6-111.7 173.3 -6.1 11.6 11.5 28 50 A A T 3 S+ 0 0 77 214,-0.6 3,-0.1 -2,-0.3 215,-0.1 0.591 125.0 44.5 -69.2 -8.2 -6.7 13.7 8.3 29 51 A Y T 3 S- 0 0 43 1,-0.5 -1,-0.3 213,-0.3 2,-0.2 0.236 126.4 -72.8-121.4 12.0 -3.0 13.4 7.7 30 52 A G E < S-C 27 0A 2 -3,-1.3 -3,-1.7 86,-0.2 -1,-0.5 -0.698 75.0 -25.7 123.9-176.9 -2.4 9.7 8.4 31 53 A L E -CD 26 112A 0 84,-1.8 81,-3.0 81,-1.2 2,-0.4 -0.529 52.2-150.3 -76.7 134.6 -2.2 7.3 11.3 32 54 A V E -CD 25 111A 3 -7,-2.8 -7,-2.1 -2,-0.3 2,-0.6 -0.885 1.3-155.1-104.7 132.8 -1.2 8.6 14.7 33 55 A F E -CD 24 110A 0 77,-3.0 77,-2.1 -2,-0.4 -9,-0.2 -0.936 12.1-174.1-110.9 107.8 0.7 6.4 17.1 34 56 A T E -C 23 0A 32 -11,-3.1 -11,-2.9 -2,-0.6 2,-0.1 -0.926 13.4-149.0-108.7 104.1 0.1 7.6 20.7 35 57 A P E -C 22 0A 3 0, 0.0 -13,-0.3 0, 0.0 -15,-0.0 -0.433 22.0-179.0 -74.2 149.1 2.2 5.6 23.2 36 58 A K E +C 21 0A 108 -15,-3.2 -15,-1.9 -2,-0.1 2,-0.3 -0.620 37.9 147.7-136.8 69.0 1.1 4.9 26.8 37 59 A L E -CE 20 106A 5 69,-2.2 69,-1.9 -17,-0.2 2,-0.3 -0.731 25.7-173.3-113.9 157.4 4.3 3.0 27.9 38 60 A H + 0 0 78 -19,-2.1 67,-0.2 -2,-0.3 66,-0.1 -0.935 58.1 30.4-143.4 158.8 6.2 2.7 31.1 39 61 A D S S+ 0 0 91 64,-0.4 2,-0.2 -2,-0.3 66,-0.2 0.735 80.0 137.8 65.1 29.6 9.4 1.2 32.5 40 62 A L - 0 0 8 64,-2.5 2,-0.2 -21,-0.1 -1,-0.2 -0.669 63.3 -87.2-103.1 161.8 11.4 1.6 29.3 41 63 A A - 0 0 56 -2,-0.2 59,-0.1 1,-0.1 62,-0.1 -0.481 51.0-110.5 -68.3 128.4 15.0 2.8 28.7 42 64 A H S S+ 0 0 64 -2,-0.2 2,-0.2 60,-0.2 59,-0.2 -0.209 73.8 57.8 -58.5 144.6 15.2 6.6 28.5 43 65 A G E S-J 100 0B 14 57,-2.7 57,-3.3 -3,-0.1 2,-0.5 -0.774 91.0 -49.3 130.1-176.4 16.1 8.0 25.0 44 66 A L E -J 99 0B 34 -2,-0.2 2,-0.4 55,-0.2 55,-0.2 -0.889 57.0-166.3-101.5 125.6 14.9 8.1 21.4 45 67 A H E -J 98 0B 6 53,-2.7 53,-2.7 -2,-0.5 87,-0.3 -0.923 27.1-105.1-121.9 137.7 14.2 4.7 20.0 46 68 A G - 0 0 0 85,-2.7 83,-3.0 86,-0.4 2,-0.4 -0.324 38.4-166.4 -54.6 135.4 13.7 3.2 16.4 47 69 A F E +F 128 0A 2 48,-0.4 48,-1.4 81,-0.2 2,-0.3 -0.969 17.9 154.2-139.5 110.5 10.0 2.6 16.0 48 70 A H E -FG 127 94A 0 79,-2.2 79,-3.2 -2,-0.4 2,-0.5 -0.981 44.7-119.5-141.4 154.9 8.8 0.4 13.1 49 71 A I E -F 126 0A 0 44,-2.3 25,-2.8 -2,-0.3 2,-0.2 -0.845 36.1-156.9 -89.7 124.7 6.1 -1.9 11.8 50 72 A H E -FH 125 73A 0 75,-2.5 75,-1.9 -2,-0.5 23,-0.3 -0.673 20.9-113.0-103.0 163.6 7.6 -5.3 11.1 51 73 A E S S+ 0 0 84 21,-2.8 20,-0.2 -2,-0.2 22,-0.1 0.878 87.3 62.0 -69.1 -47.8 6.1 -7.8 8.7 52 74 A K S S- 0 0 94 18,-2.7 2,-2.3 20,-0.3 -2,-0.2 -0.625 78.9-123.3 -92.6 145.7 5.0 -10.7 10.8 53 75 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.381 80.2 96.3 -80.8 65.2 2.4 -10.8 13.5 54 76 A S - 0 0 26 -2,-2.3 -2,-0.1 98,-0.1 98,-0.1 -0.992 49.8-172.5-153.8 142.5 4.8 -12.1 16.0 55 77 A a + 0 0 15 -2,-0.3 12,-0.6 14,-0.1 13,-0.1 0.051 52.6 129.7-116.7 17.8 7.1 -10.8 18.7 56 78 A E - 0 0 121 11,-0.2 13,-3.0 10,-0.1 14,-0.4 -0.297 57.7-114.6 -74.1 157.8 8.7 -14.2 19.3 57 79 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.359 25.0-159.0 -81.6 167.7 12.4 -14.8 19.4 58 80 A K E -K 65 0C 85 7,-1.5 7,-3.0 5,-0.1 2,-0.3 -0.982 22.2-113.5-141.0 148.7 14.4 -16.9 16.9 59 81 A E E +K 64 0C 148 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.635 39.3 171.9 -76.9 136.7 17.7 -18.6 17.1 60 82 A K E > -K 63 0C 125 3,-2.9 3,-2.7 -2,-0.3 -2,-0.0 -0.965 65.4 -7.2-145.8 138.9 20.4 -17.1 14.8 61 83 A D T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.896 134.9 -49.0 40.7 51.1 24.1 -17.9 14.7 62 84 A G T 3 S+ 0 0 77 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.449 118.5 113.6 76.1 2.0 23.6 -20.0 17.9 63 85 A K E < -K 60 0C 147 -3,-2.7 -3,-2.9 -5,-0.0 2,-0.9 -0.892 66.7-135.8-114.8 136.3 21.7 -17.3 19.7 64 86 A L E -K 59 0C 75 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.790 39.2-161.9 -80.1 105.4 18.1 -17.0 20.9 65 87 A V E > -K 58 0C 47 -7,-3.0 -7,-1.5 -2,-0.9 3,-1.4 -0.840 17.1-112.2-109.5 125.3 17.5 -13.4 19.7 66 88 A A T 3 S- 0 0 23 -2,-0.5 82,-0.5 1,-0.2 -10,-0.1 -0.171 90.7 -3.7 -54.3 129.1 14.6 -11.2 21.0 67 89 A G T > S+ 0 0 0 -12,-0.6 3,-1.9 1,-0.1 -1,-0.2 0.406 83.2 128.2 78.6 -1.3 11.9 -10.3 18.5 68 90 A L G X + 0 0 33 -3,-1.4 3,-2.1 1,-0.3 -1,-0.1 0.764 61.0 74.5 -64.4 -25.1 13.3 -12.0 15.4 69 91 A G G 3 S+ 0 0 8 -13,-3.0 -1,-0.3 1,-0.3 -14,-0.1 0.694 83.2 70.1 -55.5 -20.3 10.1 -13.8 14.8 70 92 A A G < S- 0 0 0 -3,-1.9 -18,-2.7 -14,-0.4 -1,-0.3 0.624 94.1-150.9 -71.9 -14.2 8.7 -10.5 13.6 71 93 A G < - 0 0 15 -3,-2.1 -1,-0.2 -20,-0.2 3,-0.1 -0.285 36.0 -36.0 70.8-161.6 10.8 -10.6 10.5 72 94 A G S S- 0 0 39 1,-0.2 -21,-2.8 -22,-0.1 -20,-0.3 -0.025 85.4 -52.8 -84.9-173.1 12.0 -7.5 8.8 73 95 A H B -H 50 0A 14 -23,-0.3 2,-0.4 1,-0.1 -23,-0.3 -0.328 65.6 -98.7 -64.4 142.6 10.4 -4.1 8.2 74 96 A W + 0 0 17 -25,-2.8 19,-2.2 51,-0.2 18,-0.3 -0.491 53.4 165.6 -69.0 123.6 7.0 -4.1 6.7 75 97 A D > + 0 0 11 -2,-0.4 3,-1.4 16,-0.2 5,-0.1 -0.500 11.6 157.8-147.2 62.1 7.6 -3.4 3.0 76 98 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.796 81.6 52.5 -62.3 -30.9 4.5 -4.2 0.9 77 99 A K T 3 S- 0 0 136 13,-0.1 14,-0.0 -3,-0.1 -2,-0.0 0.443 108.1-130.7 -87.8 1.3 5.7 -1.9 -1.9 78 100 A Q < + 0 0 126 -3,-1.4 13,-0.1 1,-0.1 -3,-0.1 0.896 51.7 152.5 52.7 53.1 9.1 -3.7 -1.9 79 101 A T - 0 0 41 2,-0.1 -1,-0.1 11,-0.1 3,-0.1 0.705 38.8-151.0 -76.6 -24.7 11.4 -0.7 -1.7 80 102 A Q + 0 0 149 1,-0.2 2,-0.4 -5,-0.1 10,-0.1 0.823 61.2 108.1 52.2 35.5 14.1 -2.7 0.0 81 103 A K - 0 0 97 8,-0.1 10,-1.5 55,-0.0 2,-0.4 -0.976 64.2-142.6-144.3 125.8 15.2 0.6 1.6 82 104 A H + 0 0 1 -2,-0.4 55,-0.4 8,-0.2 2,-0.2 -0.713 48.0 131.0 -79.5 138.0 14.9 1.9 5.2 83 105 A G - 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