==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-DEC-99 1DO6 . COMPND 2 MOLECULE: SUPEROXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.P.YEH,Y.HU,F.E.JENNEY JUNIOR,M.W.ADAMS,D.C.REES . 248 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 40.3 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 . 31 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 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 0 0 PARALLEL BRIDGES PER LADDER . 5 0 0 0 0 2 4 0 4 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 2 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 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 0 114 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 134.0 3.5 52.3 62.9 2 2 A I G > + 0 0 2 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.752 360.0 76.4 -58.3 -24.2 6.9 52.9 61.2 3 3 A S G > S+ 0 0 36 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.748 79.2 72.7 -60.2 -21.0 5.0 53.3 57.9 4 4 A E G < S+ 0 0 105 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.614 98.5 47.8 -69.6 -8.0 3.9 56.7 59.2 5 5 A T G < S+ 0 0 5 -3,-2.5 111,-0.8 -4,-0.1 2,-0.5 0.425 93.3 91.3-109.4 -1.6 7.5 57.8 58.6 6 6 A I E < -a 116 0A 21 -3,-1.2 2,-0.3 -4,-0.3 111,-0.2 -0.831 59.7-157.0-101.7 132.2 7.9 56.4 55.0 7 7 A R E -a 117 0A 75 109,-2.5 111,-2.3 -2,-0.5 3,-0.1 -0.802 17.5-178.8-108.7 149.5 7.1 58.6 52.0 8 8 A S + 0 0 74 -2,-0.3 2,-0.4 109,-0.2 -1,-0.1 0.303 65.8 62.8-126.4 3.0 6.1 57.4 48.5 9 9 A G S S- 0 0 50 110,-0.0 -1,-0.2 7,-0.0 2,-0.0 -0.986 72.0-134.2-137.7 127.8 5.7 60.6 46.7 10 10 A D - 0 0 45 -2,-0.4 2,-0.3 -3,-0.1 5,-0.1 -0.298 14.3-133.3 -71.9 157.6 8.2 63.3 45.9 11 11 A W B > -E 14 0B 101 3,-0.5 3,-1.0 1,-0.1 2,-0.2 -0.676 44.9 -83.3-101.0 163.8 7.6 67.1 46.3 12 12 A K T 3 S+ 0 0 204 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 -0.504 111.2 33.7 -71.6 135.2 8.7 69.3 43.4 13 13 A G T 3 S+ 0 0 78 -2,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.064 110.9 52.6 113.7 -27.9 12.4 70.2 43.4 14 14 A E B < -E 11 0B 32 -3,-1.0 2,-0.6 27,-0.1 -3,-0.5 -0.970 68.2-141.8-146.5 128.5 14.1 67.1 44.9 15 15 A K + 0 0 78 24,-0.4 -3,-0.1 -2,-0.3 26,-0.0 -0.793 35.7 147.8 -95.9 120.5 13.8 63.5 43.8 16 16 A H + 0 0 1 -2,-0.6 -1,-0.2 -5,-0.1 101,-0.1 0.604 37.8 107.4-118.0 -27.9 13.8 60.9 46.6 17 17 A V S S- 0 0 22 1,-0.1 19,-0.4 18,-0.1 2,-0.2 -0.366 71.6-125.2 -61.1 118.4 11.6 58.1 45.3 18 18 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 17,-0.2 -0.463 20.8-143.2 -65.5 131.2 13.7 55.0 44.3 19 19 A V E -F 34 0C 52 15,-2.9 15,-1.7 -2,-0.2 2,-0.5 -0.872 13.7-154.8 -99.2 124.1 13.0 54.1 40.7 20 20 A I E +F 33 0C 16 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.867 18.8 167.8-105.0 127.0 13.0 50.3 40.0 21 21 A E E +F 32 0C 82 11,-2.9 11,-3.5 -2,-0.5 2,-0.3 -0.979 8.4 179.8-132.2 145.9 13.7 48.8 36.7 22 22 A Y E -F 31 0C 64 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 19.3-156.8-148.5 156.3 14.4 45.1 35.9 23 23 A E E -F 30 0C 128 7,-2.0 7,-3.1 -2,-0.3 2,-0.6 -0.999 16.7-144.0-131.8 131.2 15.2 42.7 33.1 24 24 A R E +F 29 0C 74 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.886 19.4 177.1-100.3 120.3 14.4 39.0 33.3 25 25 A E E > -F 28 0C 113 3,-3.8 3,-1.7 -2,-0.6 2,-0.5 -0.799 63.4 -60.2-125.6 87.5 17.0 36.7 31.6 26 26 A G T 3 S- 0 0 70 -2,-0.5 73,-0.0 1,-0.3 0, 0.0 -0.653 119.2 -18.6 77.1-122.7 16.1 33.1 32.1 27 27 A E T 3 S+ 0 0 92 -2,-0.5 72,-2.4 -3,-0.1 2,-0.4 0.399 122.8 95.9 -96.4 1.4 16.1 32.5 35.8 28 28 A L E < -FG 25 98C 57 -3,-1.7 -3,-3.8 70,-0.2 2,-0.6 -0.796 56.0-165.7 -97.4 131.0 18.1 35.6 36.4 29 29 A V E -FG 24 97C 0 68,-3.6 68,-2.9 -2,-0.4 2,-0.7 -0.965 6.1-158.9-116.4 113.1 16.4 38.9 37.3 30 30 A K E -FG 23 96C 50 -7,-3.1 -7,-2.0 -2,-0.6 2,-0.5 -0.844 13.6-167.8 -95.5 114.0 18.7 41.9 36.9 31 31 A V E -FG 22 95C 0 64,-3.5 64,-2.9 -2,-0.7 2,-0.5 -0.893 9.6-169.3-110.0 128.4 17.3 44.8 39.0 32 32 A K E +FG 21 94C 79 -11,-3.5 -11,-2.9 -2,-0.5 2,-0.4 -0.952 7.7 179.3-114.9 128.6 18.4 48.4 38.8 33 33 A V E +FG 20 93C 0 60,-3.3 60,-3.8 -2,-0.5 2,-0.3 -0.995 8.3 165.7-128.3 135.8 17.3 50.9 41.5 34 34 A Q E -FG 19 92C 16 -15,-1.7 -15,-2.9 -2,-0.4 2,-0.5 -0.999 29.6-137.5-151.7 153.2 18.3 54.5 41.5 35 35 A V S S+ 0 0 6 56,-1.9 6,-0.4 -2,-0.3 -19,-0.1 -0.925 87.3 14.8-109.2 132.3 17.4 57.8 43.1 36 36 A G + 0 0 9 -2,-0.5 -1,-0.2 -19,-0.4 -21,-0.0 0.894 65.9 162.7 77.2 41.8 17.3 60.9 41.0 37 37 A K S S+ 0 0 91 -3,-0.3 -2,-0.1 1,-0.1 55,-0.0 0.979 82.0 20.8 -54.6 -62.9 17.3 59.5 37.5 38 38 A E S S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.988 139.3 25.6 -70.8 -62.5 16.1 62.6 35.8 39 39 A I S S- 0 0 95 0, 0.0 -24,-0.4 0, 0.0 -1,-0.3 -0.906 92.6-126.2-106.7 109.6 17.1 65.3 38.3 40 40 A P - 0 0 94 0, 0.0 -4,-0.2 0, 0.0 -25,-0.1 -0.178 15.4-128.3 -59.0 143.5 19.9 64.1 40.5 41 41 A H - 0 0 10 -6,-0.4 8,-0.1 1,-0.1 -27,-0.1 -0.607 43.4 -87.5 -83.2 149.1 19.5 64.3 44.2 42 42 A P - 0 0 52 0, 0.0 7,-0.4 0, 0.0 2,-0.3 -0.228 35.5-164.3 -58.8 152.3 22.3 66.1 46.0 43 43 A N + 0 0 26 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.738 37.1 130.1-137.8 85.4 25.4 64.1 47.0 44 44 A T S S- 0 0 42 3,-2.5 3,-0.4 -2,-0.3 32,-0.1 -0.844 71.8 -97.8-131.9 170.3 27.3 66.2 49.5 45 45 A T S S+ 0 0 38 -2,-0.3 3,-0.1 1,-0.2 31,-0.1 0.833 124.2 37.6 -59.6 -34.4 28.9 65.7 52.9 46 46 A E S S+ 0 0 103 1,-0.2 2,-0.3 29,-0.0 -1,-0.2 0.641 125.7 31.6 -94.3 -11.8 25.8 67.2 54.6 47 47 A H S S+ 0 0 24 -3,-0.4 -3,-2.5 28,-0.1 2,-0.3 -0.891 76.6 123.5-150.9 112.6 23.0 65.9 52.3 48 48 A H - 0 0 10 -2,-0.3 64,-2.5 -5,-0.2 2,-0.5 -0.991 60.6 -90.3-162.7 164.6 23.1 62.6 50.5 49 49 A I E -B 111 0A 8 -7,-0.4 62,-0.2 -2,-0.3 23,-0.1 -0.737 34.1-167.1 -82.9 123.3 21.4 59.2 49.9 50 50 A R E - 0 0 97 60,-2.7 22,-2.6 -2,-0.5 2,-0.3 0.889 55.8 -25.8 -81.5 -41.9 22.8 56.7 52.4 51 51 A Y E -BC 110 71A 3 59,-0.7 59,-1.4 20,-0.2 2,-0.4 -0.987 43.4-135.8-165.3 168.4 21.5 53.3 51.0 52 52 A I E -BC 109 70A 0 18,-2.2 18,-2.8 -2,-0.3 2,-0.4 -0.997 19.8-166.1-135.3 133.2 19.0 51.4 48.9 53 53 A E E -BC 108 69A 0 55,-2.6 55,-2.5 -2,-0.4 2,-0.4 -0.934 6.1-152.1-121.2 145.0 17.4 48.1 50.0 54 54 A L E -BC 107 68A 0 14,-2.6 13,-2.9 -2,-0.4 14,-1.6 -0.965 12.2-175.6-122.3 133.2 15.4 45.7 47.8 55 55 A Y E -BC 106 66A 0 51,-3.0 51,-2.4 -2,-0.4 2,-0.4 -0.879 8.6-157.3-123.6 156.2 12.7 43.3 49.1 56 56 A F E -BC 105 65A 8 9,-2.8 9,-2.7 -2,-0.3 49,-0.2 -0.982 6.9-170.9-138.5 122.5 10.7 40.6 47.3 57 57 A L E -B 104 0A 34 47,-2.8 47,-2.5 -2,-0.4 7,-0.1 -0.934 27.7-137.0-110.2 106.6 7.4 39.2 48.3 58 58 A P E > -B 103 0A 4 0, 0.0 3,-2.1 0, 0.0 45,-0.3 -0.290 35.1 -84.0 -64.2 149.1 6.7 36.2 46.0 59 59 A E T 3 S+ 0 0 138 43,-3.4 43,-0.1 1,-0.3 3,-0.1 -0.266 112.1 4.7 -54.1 126.3 3.1 35.9 44.6 60 60 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.533 103.1 118.1 76.8 6.2 0.8 34.1 47.1 61 61 A E < - 0 0 61 -3,-2.1 -1,-0.2 1,-0.1 3,-0.0 -0.622 58.0-142.1-104.6 166.0 3.3 33.9 50.0 62 62 A N S S+ 0 0 110 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.585 75.4 64.6-101.2 -12.8 3.2 35.5 53.4 63 63 A F - 0 0 61 177,-0.1 2,-0.2 -5,-0.1 177,-0.1 -0.944 69.0-138.5-122.7 132.3 6.8 36.5 54.2 64 64 A V - 0 0 1 -2,-0.5 2,-0.5 66,-0.4 176,-0.4 -0.511 15.4-144.3 -82.8 148.3 8.9 39.1 52.4 65 65 A Y E -C 56 0A 86 -9,-2.7 -9,-2.8 -2,-0.2 2,-0.5 -0.954 11.7-131.4-112.3 133.9 12.5 38.4 51.7 66 66 A Q E -C 55 0A 34 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.724 23.2-172.0 -78.0 124.9 15.2 41.1 51.8 67 67 A V E - 0 0 45 -13,-2.9 2,-0.3 -2,-0.5 -12,-0.2 0.840 55.0 -36.3 -87.2 -39.0 17.0 40.5 48.5 68 68 A G E -C 54 0A 16 -14,-1.6 -14,-2.6 27,-0.1 2,-0.4 -0.990 43.5-137.8-176.0 169.0 19.9 42.9 49.1 69 69 A R E -C 53 0A 53 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.997 11.6-164.8-143.7 133.4 21.2 46.1 50.5 70 70 A V E -C 52 0A 41 -18,-2.8 -18,-2.2 -2,-0.4 2,-0.4 -0.992 6.4-158.8-124.0 127.1 23.6 48.6 49.0 71 71 A E E -C 51 0A 94 -2,-0.4 2,-0.8 -20,-0.2 -20,-0.2 -0.903 7.0-153.6-106.6 132.8 25.3 51.4 51.0 72 72 A F + 0 0 5 -22,-2.6 17,-0.0 -2,-0.4 -2,-0.0 -0.918 24.7 169.5-104.7 107.2 26.7 54.5 49.3 73 73 A T + 0 0 100 -2,-0.8 2,-0.5 1,-0.0 -1,-0.1 0.515 43.6 77.0-105.6 -7.2 29.5 55.5 51.7 74 74 A A + 0 0 17 1,-0.1 15,-3.1 2,-0.1 -1,-0.0 -0.938 39.6 160.1-109.5 125.3 31.6 58.2 50.1 75 75 A H B -H 88 0D 7 -2,-0.5 8,-0.4 13,-0.2 13,-0.2 -0.197 69.1 -80.8-135.0 43.6 30.2 61.8 50.1 76 76 A G S S+ 0 0 0 11,-2.3 9,-3.2 1,-0.2 8,-2.0 0.302 78.6 145.8 80.2 -7.4 33.2 64.1 49.6 77 77 A E + 0 0 82 6,-0.2 2,-0.3 7,-0.2 -1,-0.2 -0.299 15.6 152.1 -65.5 144.0 34.4 64.3 53.2 78 78 A S B > -I 81 0E 43 3,-0.6 3,-2.1 7,-0.0 7,-0.1 -0.960 62.8 -91.5-160.8 168.7 38.2 64.6 53.8 79 79 A V T 3 S+ 0 0 149 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.669 123.6 63.7 -61.2 -14.6 40.7 65.9 56.3 80 80 A N T 3 S- 0 0 134 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.321 120.4 -86.8 -93.0 8.5 40.6 69.1 54.2 81 81 A G B X -I 78 0E 24 -3,-2.1 3,-1.0 4,-0.0 -3,-0.6 -0.422 63.6 -33.6 114.5 170.1 36.9 69.7 55.0 82 82 A P T 3 S+ 0 0 77 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.326 123.3 11.5 -64.1 145.2 33.4 68.7 53.7 83 83 A N T 3 S+ 0 0 57 -8,-0.4 -6,-0.2 1,-0.1 -7,-0.1 0.791 98.7 105.2 56.5 37.5 33.1 68.2 50.0 84 84 A T < + 0 0 66 -8,-2.0 -7,-0.2 -3,-1.0 -1,-0.1 0.568 53.0 78.3-119.6 -13.8 36.8 68.2 49.3 85 85 A S S S- 0 0 35 -9,-3.2 -8,-0.1 -4,-0.3 3,-0.1 0.772 80.7-141.0 -68.9 -26.9 37.7 64.5 48.7 86 86 A D + 0 0 139 -10,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.765 67.2 116.8 65.8 25.4 36.4 64.4 45.1 87 87 A V + 0 0 84 -10,-0.1 -11,-2.3 2,-0.0 2,-0.4 -0.956 36.2 163.5-126.4 113.0 35.2 60.9 45.9 88 88 A Y B -H 75 0D 82 -2,-0.5 2,-0.7 -13,-0.2 -13,-0.2 -0.992 30.2-143.9-133.4 133.8 31.4 60.4 45.7 89 89 A T - 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