==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-OCT-09 2WWN . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR A.K.BASAK,M.L.DUFFIELD,C.E.NAYLOR,J.HUYET,R.W.TITBALL . 314 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 65.9 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 . 107 34.1 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 . 6 1.9 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 . 36 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 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 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 1 1 0 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 . 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 4 A N 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.7 47.5 -35.4 -2.2 2 5 A D - 0 0 140 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.672 360.0-179.4 65.6 138.1 48.7 -33.9 1.2 3 6 A K - 0 0 65 27,-0.0 -1,-0.1 2,-0.0 27,-0.0 -0.899 37.5 -89.4-169.0 139.9 50.2 -30.5 2.0 4 7 A A + 0 0 48 -2,-0.3 25,-2.8 24,-0.1 2,-0.3 -0.178 50.4 172.8 -59.6 144.1 51.4 -28.9 5.2 5 8 A S E -A 28 0A 64 23,-0.2 2,-0.3 2,-0.0 23,-0.2 -0.997 13.0-178.7-155.2 145.2 48.8 -26.9 7.2 6 9 A M E -A 27 0A 33 21,-2.5 21,-2.8 -2,-0.3 2,-0.4 -0.958 19.8-125.7-146.0 165.6 48.4 -25.1 10.5 7 10 A T E -A 26 0A 81 -2,-0.3 2,-0.4 19,-0.2 151,-0.3 -0.923 14.2-164.8-121.1 138.0 45.7 -23.2 12.5 8 11 A V E -A 25 0A 3 17,-2.3 17,-2.4 -2,-0.4 2,-0.4 -0.971 15.0-137.7-122.1 134.9 45.8 -19.7 14.1 9 12 A K E -A 24 0A 158 -2,-0.4 2,-0.4 147,-0.3 15,-0.2 -0.726 17.1-150.0 -92.6 136.7 43.4 -18.4 16.7 10 13 A I E -A 23 0A 0 13,-2.4 12,-3.1 -2,-0.4 13,-0.7 -0.886 14.9-178.7-111.3 134.4 42.1 -14.8 16.3 11 14 A N E -AB 21 154A 41 143,-2.9 143,-2.8 -2,-0.4 10,-0.2 -0.916 35.6 -94.7-126.0 156.2 41.1 -12.5 19.1 12 15 A E E - B 0 153A 60 8,-2.3 7,-2.0 -2,-0.3 2,-0.7 -0.392 35.5-135.2 -60.4 141.9 39.7 -9.0 19.3 13 16 A S E +A 18 0A 9 139,-2.7 5,-0.2 5,-0.2 -1,-0.1 -0.926 32.8 171.2-103.5 112.6 42.4 -6.3 19.7 14 17 A L - 0 0 68 3,-2.7 56,-0.4 -2,-0.7 5,-0.0 -0.754 46.1-116.0-112.8 163.2 41.3 -3.9 22.4 15 18 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 0.929 119.1 51.8 -60.2 -43.1 43.3 -1.1 24.0 16 19 A Q S S- 0 0 174 1,-0.1 2,-0.3 51,-0.1 52,-0.1 0.912 125.7 -91.5 -56.7 -47.6 42.9 -2.9 27.3 17 20 A G S S+ 0 0 11 42,-0.1 -3,-2.7 50,-0.1 -1,-0.1 -0.900 77.6 2.2 166.7-141.5 44.2 -6.2 25.9 18 21 A N E -A 13 0A 98 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.467 60.1-171.9 -75.8 150.4 42.7 -9.3 24.2 19 22 A G E - 0 0 24 -7,-2.0 -1,-0.1 1,-0.3 3,-0.1 -0.201 42.7 -19.3-116.5-150.7 38.9 -9.5 23.5 20 23 A K E - 0 0 102 -9,-0.1 -8,-2.3 -2,-0.1 -1,-0.3 -0.210 68.2-110.1 -53.7 143.7 36.4 -12.0 22.3 21 24 A A E -A 11 0A 74 -10,-0.2 -10,-0.3 1,-0.1 -1,-0.1 -0.631 29.6-168.2 -73.6 136.5 37.7 -15.0 20.4 22 25 A L E - 0 0 9 -12,-3.1 19,-1.6 1,-0.4 2,-0.4 0.458 41.0-101.7-110.7 -2.7 36.6 -14.7 16.8 23 26 A G E -AC 10 40A 31 -13,-0.7 -13,-2.4 17,-0.2 -1,-0.4 -0.917 49.3 -60.0 119.4-145.4 37.5 -18.2 15.5 24 27 A T E -AC 9 39A 37 15,-1.3 15,-3.1 -2,-0.4 2,-0.4 -0.905 20.8-140.6-140.7 163.7 40.4 -19.3 13.4 25 28 A V E -AC 8 38A 0 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.6 -0.997 20.1-146.7-124.4 126.0 42.4 -19.0 10.2 26 29 A T E -AC 7 37A 30 11,-3.1 11,-2.7 -2,-0.4 2,-0.6 -0.823 9.2-158.4 -92.4 124.2 43.7 -22.1 8.6 27 30 A V E -AC 6 36A 0 -21,-2.8 -21,-2.5 -2,-0.6 2,-0.4 -0.920 16.3-180.0-104.0 119.9 47.0 -21.6 6.7 28 31 A T E -AC 5 35A 34 7,-2.3 7,-3.0 -2,-0.6 2,-0.4 -0.946 27.1-126.9-124.1 138.8 47.7 -24.2 4.1 29 32 A E E + C 0 34A 56 -25,-2.8 2,-0.3 -2,-0.4 5,-0.2 -0.692 36.1 174.4 -78.5 130.7 50.6 -24.7 1.7 30 33 A T E > - C 0 33A 37 3,-0.9 3,-2.0 -2,-0.4 217,-0.1 -0.886 48.9 -99.0-130.6 167.1 49.5 -25.1 -1.9 31 34 A A T 3 S+ 0 0 84 215,-0.3 3,-0.1 -2,-0.3 216,-0.1 0.699 125.2 44.0 -56.0 -19.9 51.2 -25.4 -5.3 32 35 A Y T 3 S- 0 0 35 1,-0.4 -1,-0.3 214,-0.2 2,-0.2 0.223 124.9 -80.2-114.8 14.5 50.5 -21.6 -5.8 33 36 A G E < S-C 30 0A 0 -3,-2.0 -3,-0.9 86,-0.2 -1,-0.4 -0.624 73.6 -22.7 118.0-176.9 51.5 -20.3 -2.3 34 37 A L E -CD 29 115A 0 84,-1.7 81,-3.2 81,-1.2 2,-0.5 -0.509 53.9-152.7 -74.2 127.9 50.0 -20.0 1.1 35 38 A L E -CD 28 114A 23 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.8 -0.891 1.2-157.2-101.2 126.1 46.2 -20.1 1.4 36 39 A F E -CD 27 113A 0 77,-2.8 77,-2.5 -2,-0.5 -9,-0.2 -0.876 10.9-175.8-103.5 102.7 44.5 -18.4 4.3 37 40 A T E -C 26 0A 29 -11,-2.7 -11,-3.1 -2,-0.8 2,-0.2 -0.880 14.0-152.7 -97.7 111.3 41.0 -19.9 4.9 38 41 A P E -C 25 0A 1 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 -0.528 22.8-176.5 -82.5 148.7 39.2 -17.9 7.6 39 42 A H E +C 24 0A 108 -15,-3.1 -15,-1.3 -2,-0.2 2,-0.2 -0.565 40.2 147.0-132.7 67.0 36.6 -19.3 9.9 40 43 A L E -CE 23 109A 5 69,-1.9 69,-1.7 -17,-0.2 2,-0.3 -0.638 28.3-171.3-111.5 162.0 35.8 -16.1 11.7 41 44 A T + 0 0 78 -19,-1.6 67,-0.2 67,-0.3 66,-0.1 -0.973 58.5 42.2-147.8 154.7 32.8 -14.4 13.3 42 45 A G S S+ 0 0 55 64,-0.3 2,-0.3 -2,-0.3 66,-0.2 0.906 75.5 135.6 74.6 43.9 31.8 -11.0 14.7 43 46 A L - 0 0 12 64,-2.0 -1,-0.2 -3,-0.1 3,-0.1 -0.852 62.8 -95.0-120.1 157.5 33.5 -8.7 12.1 44 47 A A - 0 0 53 -2,-0.3 59,-0.1 1,-0.1 62,-0.1 -0.547 50.6-106.1 -69.4 127.7 32.3 -5.6 10.4 45 48 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 59,-0.2 -0.272 83.0 47.9 -53.8 138.8 30.9 -6.5 7.0 46 49 A G E S-J 103 0B 31 57,-2.2 57,-2.7 58,-0.1 2,-0.5 -0.841 95.9 -36.9 128.5-164.1 33.2 -5.5 4.1 47 50 A I E -J 102 0B 39 -2,-0.3 2,-0.4 55,-0.2 55,-0.2 -0.877 53.0-164.1-108.6 129.1 36.9 -5.8 3.1 48 51 A H E -J 101 0B 6 53,-2.3 53,-3.2 -2,-0.5 87,-0.3 -0.907 28.4-104.9-120.7 136.4 39.6 -5.6 5.8 49 52 A G - 0 0 0 85,-2.6 83,-2.3 -2,-0.4 2,-0.4 -0.291 39.3-169.8 -49.4 135.9 43.4 -5.0 5.6 50 53 A F E +F 131 0A 0 48,-0.4 48,-1.1 81,-0.2 2,-0.3 -0.849 18.2 150.9-143.7 95.3 45.0 -8.4 6.3 51 54 A H E -FG 130 97A 0 79,-1.1 79,-3.0 -2,-0.4 2,-0.5 -0.856 44.7-118.6-131.7 158.9 48.7 -8.5 6.9 52 55 A L E -F 129 0A 0 44,-2.9 25,-3.0 -2,-0.3 2,-0.2 -0.876 32.8-152.5 -94.2 128.2 51.5 -10.3 8.8 53 56 A H E -FH 128 76A 1 75,-2.7 75,-1.5 -2,-0.5 23,-0.3 -0.692 19.5-115.8-103.4 158.4 53.3 -8.2 11.3 54 57 A E S S+ 0 0 119 21,-2.3 20,-0.2 -2,-0.2 22,-0.1 0.866 88.3 63.6 -62.6 -46.1 56.9 -8.6 12.3 55 58 A K S S- 0 0 69 18,-2.7 2,-2.3 20,-0.2 73,-0.3 -0.619 80.3-124.0 -95.5 141.6 56.7 -9.4 16.0 56 59 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 71,-0.1 -0.179 79.8 98.0 -74.8 47.2 55.0 -12.5 17.6 57 60 A S - 0 0 38 -2,-2.3 98,-0.1 13,-0.1 -2,-0.1 -0.981 47.1-175.8-137.4 148.5 52.7 -10.4 19.7 58 61 A a + 0 0 13 -2,-0.3 12,-0.5 14,-0.1 13,-0.1 0.261 52.4 126.3-115.8 4.1 49.1 -9.1 19.6 59 62 A A - 0 0 43 11,-0.2 13,-2.3 13,-0.1 14,-0.3 -0.144 65.8-101.3 -64.6 155.8 49.5 -7.1 22.8 60 63 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.232 36.9-152.7 -65.5 166.5 48.7 -3.4 23.1 61 64 A G E -K 68 0C 16 7,-1.9 7,-3.7 5,-0.1 2,-0.5 -0.938 16.6-108.1-139.8 162.5 51.5 -0.9 23.0 62 65 A M E +K 67 0C 152 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.824 34.4 170.1 -97.5 127.3 52.1 2.6 24.4 63 66 A K E > S-K 66 0C 41 3,-2.0 3,-0.7 -2,-0.5 -2,-0.0 -0.884 76.2 -24.1-136.7 105.5 52.1 5.6 21.9 64 67 A D T 3 S- 0 0 182 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 0.855 126.7 -50.2 60.5 36.3 52.1 9.1 23.4 65 68 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.559 114.9 109.4 85.3 9.4 50.5 7.8 26.6 66 69 A K E < S-K 63 0C 52 -3,-0.7 -3,-2.0 2,-0.0 2,-0.6 -0.960 71.9-118.9-120.9 136.2 47.7 5.9 25.0 67 70 A A E -K 62 0C 39 -2,-0.4 -5,-0.2 -5,-0.2 -51,-0.1 -0.614 32.0-158.2 -71.4 116.1 47.2 2.1 24.9 68 71 A V E > -K 61 0C 44 -7,-3.7 -7,-1.9 -2,-0.6 3,-1.6 -0.879 20.9-112.0-105.2 121.2 47.2 1.2 21.2 69 72 A P T 3 S- 0 0 29 0, 0.0 82,-0.3 0, 0.0 -10,-0.1 -0.197 90.0 -14.1 -54.1 128.7 45.6 -2.1 20.2 70 73 A A T > S+ 0 0 1 -12,-0.5 3,-1.6 -56,-0.4 -11,-0.2 0.567 90.6 134.9 58.1 11.5 47.9 -4.9 18.9 71 74 A L G X + 0 0 52 -3,-1.6 3,-1.9 1,-0.3 -1,-0.1 0.764 54.9 75.5 -59.7 -26.5 50.7 -2.2 18.5 72 75 A A G 3 S+ 0 0 35 -13,-2.3 -1,-0.3 -4,-0.3 -13,-0.1 0.535 78.6 75.6 -67.7 -3.6 53.2 -4.6 20.1 73 76 A A G < S- 0 0 0 -3,-1.6 -18,-2.7 -14,-0.3 -1,-0.3 0.532 93.5-143.4 -85.2 -6.8 53.3 -6.6 16.8 74 77 A G < - 0 0 22 -3,-1.9 -1,-0.2 -20,-0.2 3,-0.1 -0.252 36.3 -42.8 73.5-166.3 55.4 -3.9 15.1 75 78 A G S S- 0 0 40 1,-0.2 -21,-2.3 -22,-0.1 -20,-0.2 0.056 85.4 -50.7 -81.4-164.3 55.0 -3.0 11.4 76 79 A H B -H 53 0A 11 -23,-0.3 -23,-0.3 1,-0.1 2,-0.2 -0.455 65.2 -93.6 -73.7 143.4 54.4 -5.2 8.4 77 80 A L + 0 0 11 -25,-3.0 19,-2.6 -2,-0.1 20,-0.2 -0.383 56.5 161.6 -55.0 118.7 56.7 -8.2 7.8 78 81 A D > + 0 0 28 16,-0.2 3,-2.0 -2,-0.2 5,-0.1 -0.453 11.5 163.6-148.1 65.5 59.4 -6.8 5.5 79 82 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.845 81.3 53.8 -55.2 -40.4 62.6 -9.0 5.4 80 83 A N T 3 S- 0 0 135 13,-0.1 14,-0.0 1,-0.0 -2,-0.0 0.450 107.6-128.0 -77.1 -0.6 63.8 -7.4 2.1 81 84 A K < + 0 0 104 -3,-2.0 13,-0.1 1,-0.1 -3,-0.0 0.915 55.0 151.6 55.1 49.0 63.5 -4.0 3.8 82 85 A T - 0 0 46 2,-0.1 -1,-0.1 11,-0.1 3,-0.1 0.776 38.6-153.1 -76.6 -28.2 61.4 -2.5 1.0 83 86 A G + 0 0 63 1,-0.2 2,-0.3 -5,-0.1 10,-0.1 0.723 57.5 104.4 61.3 24.8 59.7 -0.1 3.4 84 87 A V - 0 0 37 8,-0.1 10,-2.2 61,-0.0 2,-0.7 -0.982 68.4-131.3-141.5 146.7 56.7 0.0 1.2 85 88 A H + 0 0 0 -2,-0.3 61,-0.2 8,-0.2 55,-0.1 -0.862 41.8 145.2-100.8 111.6 53.1 -1.4 1.1 86 89 A L - 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