==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUN-08 2K4W . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR M.MORI,B.JIMENEZ,M.PICCIOLI,A.BATTISTONI,M.SETTE,STRUCTURAL . 154 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 59.7 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 . 49 31.8 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.6 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 . 13 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 3 1 2 1 1 0 1 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 . 2 0 0 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 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 1 A A 0 0 80 0, 0.0 25,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.5 13.9 0.8 -15.1 2 2 A S E -A 25 0A 80 23,-0.3 2,-0.3 114,-0.0 23,-0.3 -0.970 360.0-169.3-149.8 152.6 13.7 -0.2 -11.4 3 3 A E E -A 24 0A 49 21,-2.9 21,-3.0 -2,-0.3 2,-0.9 -0.981 21.6-139.2-147.6 131.0 13.8 0.9 -7.7 4 4 A K E -A 23 0A 144 -2,-0.3 2,-0.7 19,-0.2 19,-0.2 -0.764 22.3-154.9 -91.4 96.7 14.0 -1.3 -4.6 5 5 A V E -A 22 0A 2 17,-2.3 17,-2.0 -2,-0.9 2,-0.7 -0.666 6.3-143.6 -90.2 112.3 11.6 0.2 -2.0 6 6 A G E -A 21 0A 42 -2,-0.7 2,-0.4 146,-0.3 146,-0.3 -0.644 18.8-162.5 -75.3 109.5 12.5 -0.6 1.6 7 7 A M E -A 20 0A 0 13,-0.8 13,-0.6 -2,-0.7 12,-0.6 -0.834 4.3-164.4 -96.5 131.1 9.3 -1.2 3.6 8 8 A N E -AB 18 150A 51 142,-2.2 142,-2.3 -2,-0.4 10,-0.3 -0.786 29.0-102.8-105.1 155.6 9.2 -1.1 7.4 9 9 A L E - B 0 149A 20 8,-3.2 7,-2.7 -2,-0.3 2,-0.3 -0.490 37.5-162.0 -67.8 145.3 6.5 -2.4 9.7 10 10 A V E +A 15 0A 4 138,-2.3 5,-0.2 5,-0.2 57,-0.1 -0.996 21.7 159.8-140.1 140.5 4.1 0.3 11.2 11 11 A T S S- 0 0 90 3,-1.0 2,-0.6 -2,-0.3 56,-0.1 -0.294 70.8 -67.9-166.1 57.9 1.8 0.1 14.2 12 12 A A S S+ 0 0 35 54,-2.0 53,-0.1 1,-0.2 3,-0.1 0.092 129.4 68.8 77.3 -21.5 0.6 3.3 15.9 13 13 A Q S S- 0 0 161 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.653 105.7-125.3 -86.5 -20.0 4.1 4.1 17.3 14 14 A G + 0 0 4 52,-0.5 -3,-1.0 42,-0.1 -1,-0.4 -0.883 69.9 24.2 106.6-147.9 5.3 4.8 13.7 15 15 A V E +A 10 0A 81 -2,-0.3 -5,-0.2 40,-0.2 3,-0.1 -0.350 64.1 170.1 -60.0 123.2 8.3 3.1 11.9 16 16 A G E - 0 0 42 -7,-2.7 2,-0.2 1,-0.3 -1,-0.1 0.211 44.3 -49.7 -99.3-137.8 9.3 -0.3 13.3 17 17 A Q E - 0 0 124 -9,-0.1 -8,-3.2 -2,-0.0 -1,-0.3 -0.537 51.9-118.7 -90.3 170.1 11.8 -2.8 11.8 18 18 A S E +A 8 0A 47 -10,-0.3 -10,-0.2 -2,-0.2 3,-0.1 -0.794 27.3 172.7-106.0 157.7 11.9 -4.1 8.3 19 19 A I E S- 0 0 30 -12,-0.6 19,-1.4 1,-0.4 2,-0.2 0.190 71.8 -0.4-139.0 0.3 11.5 -7.8 7.1 20 20 A G E -A 7 0A 5 -13,-0.6 -13,-0.8 17,-0.2 -1,-0.4 -0.834 55.2-138.7 175.5 147.3 11.5 -7.2 3.3 21 21 A T E -A 6 0A 37 15,-0.2 15,-1.1 -2,-0.2 2,-0.3 -0.411 22.7-132.4 -88.1-177.4 11.7 -4.6 0.5 22 22 A V E -AC 5 35A 0 -17,-2.0 -17,-2.3 13,-0.2 2,-0.5 -0.959 15.9-136.5-128.3 134.3 9.5 -4.7 -2.6 23 23 A V E -AC 4 34A 52 11,-2.4 11,-2.3 -2,-0.3 2,-0.5 -0.752 15.1-160.0 -82.9 127.1 11.2 -4.3 -6.0 24 24 A I E +AC 3 33A 0 -21,-3.0 -21,-2.9 -2,-0.5 2,-0.4 -0.947 12.4 177.7-103.9 130.6 9.4 -2.0 -8.3 25 25 A D E -AC 2 32A 35 7,-2.3 7,-2.9 -2,-0.5 -23,-0.3 -0.973 20.1-139.6-138.4 112.1 10.3 -2.3 -12.0 26 26 A E E + C 0 31A 50 -25,-2.5 2,-0.3 -2,-0.4 5,-0.2 -0.492 29.1 161.1 -77.8 144.5 8.5 -0.2 -14.7 27 27 A T E > - C 0 30A 66 3,-1.2 3,-2.3 -2,-0.2 -2,-0.0 -0.886 58.2 -86.9-148.2 178.1 7.4 -1.7 -18.0 28 28 A E T 3 S+ 0 0 198 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.695 132.1 52.4 -70.4 -14.9 5.0 -0.9 -20.9 29 29 A G T 3 S- 0 0 41 1,-0.3 -1,-0.3 84,-0.0 2,-0.2 0.185 121.3-117.2 -95.4 12.9 2.4 -2.8 -18.8 30 30 A G E < +C 27 0A 0 -3,-2.3 -3,-1.2 82,-0.1 2,-0.9 -0.492 65.2 6.9 94.0-155.9 3.3 -0.6 -15.8 31 31 A L E -CD 26 111A 3 80,-1.6 80,-2.5 83,-1.3 2,-0.5 -0.547 60.2-154.1 -71.6 102.0 4.8 -1.0 -12.4 32 32 A K E -CD 25 110A 75 -7,-2.9 -7,-2.3 -2,-0.9 2,-0.5 -0.661 11.6-158.1 -71.3 117.3 6.0 -4.7 -11.9 33 33 A F E +CD 24 109A 3 76,-1.9 76,-2.4 -2,-0.5 -9,-0.2 -0.881 15.2 178.1 -95.9 127.5 5.9 -5.4 -8.1 34 34 A T E -C 23 0A 34 -11,-2.3 -11,-2.4 -2,-0.5 73,-0.1 -0.906 15.1-160.4-129.6 105.0 8.1 -8.3 -6.8 35 35 A P E +C 22 0A 2 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 -0.331 20.9 180.0 -76.7 164.9 7.8 -8.7 -3.0 36 36 A H + 0 0 89 -15,-1.1 2,-0.4 -2,-0.1 -15,-0.2 -0.183 33.8 142.7-155.4 43.7 10.3 -10.5 -0.8 37 37 A L E -H 105 0B 0 68,-0.7 68,-2.7 -17,-0.2 2,-0.2 -0.820 26.3-172.7-102.2 134.8 8.7 -10.1 2.7 38 38 A K E +H 104 0B 85 -19,-1.4 66,-0.2 -2,-0.4 65,-0.1 -0.693 60.5 45.4-104.6 164.5 8.6 -12.5 5.6 39 39 A A S S+ 0 0 58 64,-0.6 65,-0.2 1,-0.3 -1,-0.1 0.553 75.4 128.0 82.6 16.1 6.7 -12.2 9.0 40 40 A L S S- 0 0 10 63,-1.6 -1,-0.3 -3,-0.2 0, 0.0 -0.647 77.3 -82.6 -91.4 160.5 3.3 -11.0 7.8 41 41 A P - 0 0 67 0, 0.0 2,-1.4 0, 0.0 61,-0.1 -0.498 54.0-119.8 -62.8 128.4 -0.0 -12.5 8.6 42 42 A P S S+ 0 0 65 0, 0.0 61,-0.1 0, 0.0 62,-0.1 -0.051 83.0 78.7 -85.8 31.3 -0.0 -15.3 6.0 43 43 A G S S- 0 0 35 -2,-1.4 56,-2.9 1,-0.1 2,-0.3 0.544 92.2 -56.3 -97.1-122.2 -3.1 -14.3 4.0 44 44 A E E -E 98 0A 127 54,-0.2 2,-0.4 85,-0.2 54,-0.2 -0.987 45.4-163.2-139.8 138.2 -3.7 -11.6 1.4 45 45 A H E -E 97 0A 12 52,-1.5 52,-3.1 -2,-0.3 86,-0.3 -0.979 21.7-116.8-137.9 123.0 -3.1 -7.9 1.7 46 46 A G E - 0 0 0 84,-1.6 82,-2.8 -2,-0.4 2,-0.5 -0.110 26.7-143.4 -51.1 149.3 -4.2 -4.8 -0.3 47 47 A F E +EF 94 127A 5 47,-1.0 47,-1.9 80,-0.2 2,-0.3 -0.981 25.7 170.8-125.0 115.4 -1.5 -2.7 -2.0 48 48 A H E -EF 93 126A 0 78,-2.4 78,-2.2 -2,-0.5 2,-0.4 -0.873 31.0-141.4-115.0 162.3 -1.7 1.1 -2.2 49 49 A I E - F 0 125A 0 43,-2.4 76,-0.2 -2,-0.3 2,-0.2 -0.924 31.6-144.7-107.7 143.6 0.3 4.2 -3.2 50 50 A H E - F 0 124A 0 74,-2.4 74,-0.5 -2,-0.4 23,-0.2 -0.680 18.6-112.0-118.4 161.1 -0.3 7.2 -0.9 51 51 A A S S+ 0 0 28 21,-2.2 20,-0.2 -2,-0.2 2,-0.2 0.888 98.7 22.5 -69.9 -42.6 -0.5 11.0 -1.4 52 52 A N S S- 0 0 94 18,-2.7 72,-1.0 20,-0.2 2,-0.6 -0.567 83.8-113.4-101.9 177.8 2.7 12.0 0.5 53 53 A G + 0 0 28 70,-0.3 2,-0.1 69,-0.3 99,-0.1 -0.813 69.4 112.0-112.5 90.2 5.8 9.9 1.3 54 54 A S - 0 0 26 -2,-0.6 2,-2.2 2,-0.1 16,-1.2 -0.615 46.6-162.1-166.4 99.0 5.9 9.5 5.2 55 55 A a + 0 0 9 14,-0.2 -40,-0.2 -2,-0.1 95,-0.1 -0.253 56.4 126.3 -71.5 45.5 5.3 6.2 7.2 56 56 A Q - 0 0 82 -2,-2.2 12,-2.6 -42,-0.2 13,-2.5 -0.854 54.2-123.4-117.6 148.4 4.6 8.4 10.3 57 57 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 9,-0.1 -0.403 11.1-137.9 -86.5 165.0 1.7 8.4 12.8 58 58 A A - 0 0 46 7,-0.5 7,-3.3 -2,-0.1 2,-0.4 -0.927 12.2-153.0-116.6 149.0 -0.7 11.2 14.0 59 59 A I E +I 64 0C 124 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.979 26.5 147.9-122.4 134.4 -1.9 11.7 17.7 60 60 A K E > +I 63 0C 175 3,-2.2 3,-1.5 -2,-0.4 -2,-0.0 -0.944 61.9 12.8-162.9 143.6 -5.2 13.3 18.7 61 61 A D T 3 S- 0 0 138 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.880 128.4 -58.7 53.2 41.4 -7.7 12.9 21.6 62 62 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.617 119.6 92.1 70.9 14.5 -5.2 10.8 23.7 63 63 A Q E < -I 60 0C 129 -3,-1.5 -3,-2.2 0, 0.0 2,-0.4 -0.942 67.3-120.3-144.4 156.8 -4.9 8.1 21.0 64 64 A A E -I 59 0C 47 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.826 10.3-135.1-109.1 139.0 -2.7 7.2 17.9 65 65 A V - 0 0 64 -7,-3.3 -7,-0.5 -2,-0.4 3,-0.2 -0.728 31.3-120.8 -81.8 134.1 -3.4 6.8 14.2 66 66 A A S S- 0 0 29 -2,-0.4 -54,-2.0 1,-0.2 -52,-0.5 0.793 80.4 -42.2 -44.5 -48.5 -1.5 3.6 12.8 67 67 A A S S+ 0 0 0 -56,-0.1 -1,-0.2 -11,-0.1 -12,-0.1 -0.569 76.2 146.9 172.6 122.5 0.5 5.7 10.2 68 68 A E > + 0 0 76 -12,-2.6 3,-2.6 -3,-0.2 -13,-0.1 0.403 40.0 102.0-154.5 -8.3 -1.1 8.5 8.1 69 69 A A T 3 S+ 0 0 44 -13,-2.5 -14,-0.2 1,-0.3 -16,-0.1 0.818 78.9 71.6 -58.9 -24.5 1.4 11.3 7.3 70 70 A A T 3 S- 0 0 0 -16,-1.2 -18,-2.7 -14,-0.3 -1,-0.3 0.505 104.7-136.3 -60.0 -8.4 1.6 9.6 3.9 71 71 A G < - 0 0 13 -3,-2.6 -1,-0.2 -20,-0.2 2,-0.1 -0.343 38.8 -38.5 85.4-165.3 -2.0 10.9 3.2 72 72 A G S S- 0 0 21 -3,-0.1 -21,-2.2 -22,-0.1 2,-2.0 -0.219 82.7 -71.7 -79.7 179.3 -4.9 9.0 1.7 73 73 A H S S- 0 0 24 -23,-0.2 19,-1.2 1,-0.2 -23,-0.2 -0.295 88.5 -72.5 -77.6 54.0 -4.5 6.4 -1.2 74 74 A L S S+ 0 0 26 -2,-2.0 17,-1.4 17,-0.2 18,-0.7 0.965 78.0 165.3 54.9 69.2 -3.8 9.2 -3.8 75 75 A D + 0 0 71 15,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.674 9.8 148.7-120.5 65.5 -7.4 10.5 -3.9 76 76 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.978 71.6 6.0 -72.9 -58.9 -7.6 14.0 -5.7 77 77 A Q S S+ 0 0 173 12,-0.2 12,-0.1 1,-0.0 2,-0.0 -0.998 92.2 85.1-137.7 126.0 -11.0 14.1 -7.4 78 78 A N S S- 0 0 66 -2,-0.4 4,-0.1 -3,-0.1 11,-0.1 -0.228 83.7 -89.2-174.9 -95.1 -13.8 11.4 -7.1 79 79 A T - 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