==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAY-07 2Q2L . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: POTENTILLA ATROSANGUINEA; . AUTHOR Y.MANICKAM,J.GILL,P.C.MISHRA,A.SHARMA . 304 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 60.2 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 . 99 32.6 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 1.0 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-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 . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 4 1 2 1 4 2 3 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 . 0 0 0 3 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 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 M 0 0 125 0, 0.0 2,-0.3 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 109.0 21.3 16.9 19.2 2 2 A A E -A 22 0A 19 20,-2.2 20,-1.4 22,-0.2 2,-0.3 -0.614 360.0-170.0 -78.4 140.8 18.7 14.2 19.4 3 3 A K E +A 21 0A 59 148,-0.4 148,-2.0 -2,-0.3 2,-0.3 -0.984 9.9 178.4-137.6 149.0 20.0 10.6 19.8 4 4 A G E -AB 20 150A 0 16,-1.9 16,-2.5 -2,-0.3 2,-0.3 -0.969 6.5-165.9-145.8 153.1 18.5 7.2 19.6 5 5 A V E -AB 19 149A 31 144,-2.0 144,-2.2 -2,-0.3 2,-0.5 -0.964 2.5-166.2-149.8 131.5 19.6 3.6 19.9 6 6 A A E -A 18 0A 0 12,-2.4 12,-2.2 -2,-0.3 2,-0.5 -0.967 8.0-156.4-117.1 129.2 18.1 0.3 19.1 7 7 A V E -A 17 0A 96 -2,-0.5 140,-0.3 140,-0.5 2,-0.3 -0.927 25.6-124.0-104.7 126.0 19.5 -2.9 20.3 8 8 A L - 0 0 16 8,-2.7 8,-0.4 -2,-0.5 2,-0.3 -0.536 25.8-175.5 -76.5 133.3 18.5 -5.9 18.1 9 9 A S B +E 145 0B 78 136,-2.1 136,-2.3 -2,-0.3 2,-0.3 -0.898 12.2 159.6-116.7 161.0 16.8 -9.0 19.3 10 10 A S - 0 0 40 -2,-0.3 3,-0.2 134,-0.2 134,-0.1 -0.935 41.1-140.1-167.5 156.1 16.0 -12.0 17.2 11 11 A S S S+ 0 0 123 -2,-0.3 133,-0.1 132,-0.2 -2,-0.0 -0.365 100.7 62.0-120.5 49.8 15.2 -15.7 17.7 12 12 A E S S- 0 0 120 131,-0.2 -1,-0.1 2,-0.1 131,-0.0 -0.039 122.3 -92.3-176.2 4.4 17.4 -16.7 14.8 13 13 A G S S+ 0 0 62 1,-0.2 2,-0.2 -3,-0.2 131,-0.1 0.472 73.6 146.7 79.4 1.7 20.8 -15.4 16.0 14 14 A V + 0 0 9 129,-0.4 2,-0.3 20,-0.0 -1,-0.2 -0.493 21.4 177.0 -63.8 131.8 20.8 -11.9 14.5 15 15 A A E + C 0 35A 46 20,-2.6 20,-3.6 -2,-0.2 2,-0.3 -0.985 13.1 113.5-135.9 157.3 22.6 -9.4 16.7 16 16 A G E - C 0 34A 17 -8,-0.4 -8,-2.7 -2,-0.3 2,-0.3 -0.930 44.0-117.7 167.5 166.9 23.4 -5.7 16.3 17 17 A T E -AC 7 33A 12 16,-1.9 16,-2.1 -2,-0.3 2,-0.4 -0.975 17.5-160.3-131.6 147.5 23.0 -2.1 17.4 18 18 A I E -AC 6 32A 0 -12,-2.2 -12,-2.4 -2,-0.3 2,-0.4 -0.999 8.0-157.8-127.3 125.7 21.6 0.9 15.3 19 19 A L E -AC 5 31A 38 12,-2.8 12,-2.4 -2,-0.4 2,-0.3 -0.844 3.4-163.9-107.0 143.9 22.3 4.5 16.2 20 20 A F E +AC 4 30A 0 -16,-2.5 -16,-1.9 -2,-0.4 2,-0.3 -0.915 10.1 175.0-124.0 157.9 20.2 7.5 15.3 21 21 A T E +AC 3 29A 39 8,-0.8 8,-2.0 -2,-0.3 2,-0.2 -0.966 7.0 179.3-162.6 140.9 21.3 11.2 15.4 22 22 A Q E -A 2 0A 8 -20,-1.4 -20,-2.2 -2,-0.3 2,-0.5 -0.765 19.9-145.0-158.1 113.2 19.7 14.4 14.3 23 23 A E S > S- 0 0 147 4,-0.5 3,-3.1 -2,-0.2 -2,-0.0 -0.714 72.5 -51.9 -74.8 120.7 21.1 18.1 14.6 24 24 A G T 3 S- 0 0 58 -2,-0.5 -22,-0.2 1,-0.3 82,-0.1 -0.252 119.0 -30.2 52.3-121.7 18.2 20.4 15.3 25 25 A D T 3 S+ 0 0 149 79,-0.1 -1,-0.3 80,-0.1 3,-0.1 -0.009 104.4 120.9-119.4 32.5 15.9 19.5 12.5 26 26 A G S < S- 0 0 36 -3,-3.1 2,-0.0 1,-0.2 -2,-0.0 0.081 77.8 -59.9 -58.5-169.8 18.4 18.4 9.7 27 27 A P - 0 0 52 0, 0.0 -4,-0.5 0, 0.0 2,-0.4 -0.366 56.5-109.2 -71.9 162.2 18.1 14.8 8.4 28 28 A T E - D 0 100A 1 72,-2.6 72,-2.5 -6,-0.1 2,-0.5 -0.792 24.7-148.2 -88.5 135.0 18.6 11.8 10.6 29 29 A T E -CD 21 99A 43 -8,-2.0 -8,-0.8 -2,-0.4 2,-0.5 -0.917 11.7-163.9 -97.8 127.1 21.7 9.8 10.2 30 30 A V E -CD 20 98A 0 68,-3.1 68,-2.2 -2,-0.5 2,-0.5 -0.950 6.9-176.8-117.0 127.0 21.4 6.1 11.0 31 31 A T E +CD 19 97A 47 -12,-2.4 -12,-2.8 -2,-0.5 2,-0.3 -0.972 10.0 178.4-127.4 117.2 24.4 4.0 11.6 32 32 A G E -CD 18 96A 1 64,-3.2 64,-2.6 -2,-0.5 2,-0.4 -0.838 21.2-171.3-124.4 159.9 24.1 0.3 12.1 33 33 A N E +CD 17 95A 55 -16,-2.1 -16,-1.9 -2,-0.3 2,-0.3 -0.971 21.1 170.6-150.1 124.5 26.2 -2.7 12.7 34 34 A I E -CD 16 94A 0 60,-2.8 60,-2.2 -2,-0.4 -18,-0.3 -0.991 11.7-168.0-142.9 147.4 24.7 -6.2 12.6 35 35 A S E +C 15 0A 48 -20,-3.6 -20,-2.6 -2,-0.3 58,-0.2 -0.859 58.6 49.8-134.1 167.2 25.8 -9.8 12.6 36 36 A G S S+ 0 0 48 55,-0.3 2,-0.3 1,-0.3 57,-0.2 0.762 76.3 131.1 78.5 32.7 24.3 -13.3 12.0 37 37 A L - 0 0 12 55,-2.0 -1,-0.3 -3,-0.1 3,-0.1 -0.847 63.3-105.0-119.8 146.6 22.6 -12.5 8.7 38 38 A K - 0 0 144 -2,-0.3 50,-0.2 1,-0.1 53,-0.1 -0.457 52.1 -99.6 -62.7 132.4 22.6 -14.3 5.3 39 39 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 50,-0.2 -0.310 84.0 44.2 -56.8 145.2 24.7 -12.4 2.8 40 40 A G E S-F 88 0B 25 48,-2.3 48,-2.6 -3,-0.1 2,-0.3 -0.742 97.8 -16.5 119.1-164.7 23.0 -10.1 0.4 41 41 A L E -F 87 0B 83 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.568 50.8-179.2 -89.7 133.4 20.3 -7.6 0.6 42 42 A H E -F 86 0B 5 44,-1.9 44,-2.7 -2,-0.3 78,-0.1 -0.997 30.4-116.9-125.6 129.8 17.9 -7.3 3.5 43 43 A G E -F 85 0B 0 78,-2.6 76,-2.2 -2,-0.4 2,-0.4 -0.410 29.2-164.3 -69.5 150.1 15.1 -4.8 3.7 44 44 A F E + G 0 118B 0 40,-2.6 39,-0.8 74,-0.2 2,-0.3 -0.945 16.0 161.3-147.0 109.2 15.4 -2.4 6.6 45 45 A H E -FG 82 117B 0 72,-1.9 72,-2.5 -2,-0.4 2,-0.6 -0.884 42.5-119.0-136.2 153.7 12.6 -0.2 7.8 46 46 A V E - G 0 116B 0 35,-1.5 17,-3.0 -2,-0.3 70,-0.3 -0.906 40.7-145.4 -86.5 127.3 11.4 1.8 10.7 47 47 A H E -HG 62 115B 2 68,-3.4 68,-0.6 -2,-0.6 15,-0.2 -0.461 16.2-112.6 -93.4 166.4 8.1 0.1 11.8 48 48 A A S S+ 0 0 17 13,-2.6 2,-0.2 11,-0.3 12,-0.2 0.865 89.8 31.1 -69.0 -42.3 5.0 2.0 13.3 49 49 A L - 0 0 90 10,-2.1 66,-0.6 12,-0.2 -2,-0.1 -0.665 58.3-143.0-120.1 164.6 5.0 0.8 16.9 50 50 A G + 0 0 25 63,-0.3 2,-0.7 64,-0.3 9,-0.1 -0.169 57.5 133.1-115.8 32.8 7.5 -0.3 19.6 51 51 A D + 0 0 72 7,-0.4 3,-0.2 1,-0.1 -2,-0.1 -0.797 23.8 169.1 -90.2 113.2 5.2 -2.9 20.9 52 52 A T > + 0 0 69 -2,-0.7 3,-1.9 1,-0.1 -1,-0.1 0.116 38.9 116.1-113.5 22.7 7.1 -6.1 21.4 53 53 A T T 3 S+ 0 0 126 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 0.767 93.8 30.9 -60.6 -26.6 4.5 -8.1 23.4 54 54 A N T > S- 0 0 119 1,-0.5 3,-1.1 -3,-0.2 -1,-0.3 -0.188 120.6-111.1-118.6 41.0 4.4 -10.5 20.4 55 55 A G G X S- 0 0 38 -3,-1.9 3,-0.6 1,-0.2 -1,-0.5 -0.388 78.0 -20.4 72.8-152.8 8.0 -10.1 19.3 56 56 A a G > S+ 0 0 23 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.699 130.8 71.5 -58.2 -24.6 8.7 -8.3 16.0 57 57 A M G X S+ 0 0 119 -3,-1.1 3,-1.0 1,-0.2 -1,-0.2 0.873 88.8 57.4 -66.8 -37.6 5.2 -9.0 14.9 58 58 A S G < S+ 0 0 22 -3,-0.6 -7,-0.4 1,-0.2 -1,-0.2 0.521 82.7 89.6 -74.4 1.4 3.5 -6.5 17.3 59 59 A T G < S- 0 0 0 -3,-1.0 -10,-2.1 1,-0.2 -11,-0.3 0.423 87.2-135.6 -80.4 4.9 5.6 -3.7 15.8 60 60 A G < - 0 0 17 -3,-1.0 -1,-0.2 -12,-0.2 3,-0.1 -0.076 34.6 -46.7 77.6-175.8 3.0 -2.9 13.1 61 61 A P S S- 0 0 89 0, 0.0 -13,-2.6 0, 0.0 -12,-0.2 -0.061 88.0 -52.0 -79.3-170.6 3.5 -2.1 9.4 62 62 A H B S-H 47 0B 6 73,-0.3 -15,-0.3 -15,-0.2 2,-0.1 -0.287 72.7 -90.5 -64.0 147.5 6.2 0.3 8.1 63 63 A F + 0 0 5 -17,-3.0 18,-2.7 16,-0.1 17,-0.5 -0.452 59.9 164.5 -62.9 132.1 6.0 3.7 9.8 64 64 A N > + 0 0 47 15,-0.2 3,-1.6 16,-0.2 -1,-0.1 -0.326 20.0 158.0-156.5 57.7 3.7 5.8 7.6 65 65 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.820 81.9 57.2 -59.8 -29.2 2.2 9.0 8.9 66 66 A A T 3 S- 0 0 70 12,-0.1 13,-0.0 1,-0.1 -2,-0.0 0.568 104.4-127.1 -77.1 -8.1 1.6 10.3 5.3 67 67 A G < + 0 0 65 -3,-1.6 2,-0.1 1,-0.2 12,-0.1 0.767 57.6 147.3 63.8 31.9 -0.6 7.2 4.3 68 68 A K - 0 0 72 10,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.338 49.1-107.2 -86.4 171.3 1.5 6.5 1.2 69 69 A E - 0 0 94 1,-0.1 66,-0.2 -2,-0.1 -1,-0.1 -0.447 53.0 -70.7 -94.6 167.3 2.3 3.1 -0.4 70 70 A H + 0 0 1 64,-3.2 2,-0.2 8,-0.2 -1,-0.1 -0.321 62.9 147.0 -68.7 144.7 5.7 1.5 -0.2 71 71 A G - 0 0 2 64,-0.1 13,-0.2 8,-0.1 54,-0.2 -0.729 48.9 -71.6-147.3-169.1 8.8 2.8 -2.2 72 72 A S > - 0 0 11 5,-0.3 3,-1.7 -2,-0.2 10,-0.1 -0.609 50.5-107.2 -86.7 160.8 12.5 3.3 -2.1 73 73 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.773 120.5 56.6 -59.4 -20.1 13.9 5.8 0.3 74 74 A E T 3 S+ 0 0 161 3,-0.1 2,-0.2 0, 0.0 4,-0.1 0.440 91.3 92.0 -90.8 -1.8 14.6 8.0 -2.8 75 75 A D S < S- 0 0 64 -3,-1.7 -4,-0.1 2,-0.1 3,-0.0 -0.582 72.2-138.2 -87.4 154.5 11.1 8.1 -4.1 76 76 A E S S+ 0 0 156 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.923 101.0 67.9 -65.4 -45.2 8.3 10.6 -3.3 77 77 A T S S+ 0 0 63 -7,-0.1 -5,-0.3 -9,-0.1 2,-0.3 -0.713 82.3 116.0 -81.1 109.1 5.9 7.6 -3.1 78 78 A R - 0 0 5 -2,-0.8 -10,-0.2 -7,-0.2 2,-0.2 -0.961 67.6-112.2-178.4 138.4 7.3 6.1 0.1 79 79 A H > - 0 0 15 -2,-0.3 3,-1.3 -8,-0.1 -15,-0.2 -0.539 37.4-116.5 -80.8 158.2 6.5 5.3 3.6 80 80 A A T 3 S+ 0 0 3 -17,-0.5 22,-0.2 1,-0.2 -16,-0.2 0.938 117.7 54.2 -61.5 -40.6 8.4 7.4 6.2 81 81 A G T 3 S+ 0 0 0 -18,-2.7 -35,-1.5 -35,-0.2 2,-1.3 0.437 75.6 123.4 -71.6 1.3 10.0 4.2 7.4 82 82 A D E < +F 45 0B 0 -3,-1.3 -37,-0.1 -19,-0.2 20,-0.1 -0.491 22.0 155.4 -77.1 93.1 11.3 3.2 3.9 83 83 A L E - 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