==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-00 1DQK . COMPND 2 MOLECULE: SUPEROXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.P.YEH,Y.HU,F.E.JENNEY JR.,M.W.W.ADAMS,D.C.REES . 496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 45.2 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 . 73 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 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 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 4 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 . 8 4 0 0 2 4 4 4 8 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 4 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 1 A M > 0 0 119 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 131.0 34.0 -3.6 35.0 2 2 A I G > + 0 0 1 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.791 360.0 77.2 -65.6 -24.9 30.6 -4.3 33.5 3 3 A S G > S+ 0 0 33 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.707 78.0 73.1 -57.2 -20.3 32.5 -4.7 30.2 4 4 A E G < S+ 0 0 101 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.553 98.2 47.3 -72.5 -6.1 33.5 -8.1 31.5 5 5 A T G < S+ 0 0 4 -3,-2.6 111,-0.8 -4,-0.1 2,-0.6 0.392 93.6 92.6-111.6 -1.5 29.9 -9.2 30.8 6 6 A I E < -a 116 0A 20 -3,-1.1 2,-0.3 -4,-0.3 111,-0.2 -0.842 60.5-158.7-100.7 123.5 29.6 -7.7 27.4 7 7 A R E +a 117 0A 82 109,-2.5 111,-2.4 -2,-0.6 2,-0.2 -0.658 11.3 178.7-100.1 154.9 30.4 -10.0 24.4 8 8 A S + 0 0 60 -2,-0.3 2,-0.3 109,-0.2 111,-0.1 -0.697 14.9 120.4-135.6-172.1 31.4 -9.0 20.9 9 9 A G - 0 0 41 109,-0.3 2,-0.8 -2,-0.2 108,-0.0 -0.958 58.8 -30.3 150.4-168.1 32.3 -10.7 17.7 10 10 A D >> - 0 0 101 -2,-0.3 4,-3.7 1,-0.1 3,-1.6 -0.829 38.0-153.8 -96.4 113.1 31.8 -11.5 14.1 11 11 A W T 34 S+ 0 0 76 -2,-0.8 28,-0.6 1,-0.3 27,-0.5 0.545 91.5 69.9 -61.7 -6.8 28.2 -11.3 13.3 12 12 A K T 34 S+ 0 0 122 26,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.821 119.2 15.9 -79.6 -35.1 28.9 -13.8 10.4 13 13 A G T <4 S+ 0 0 65 -3,-1.6 2,-0.7 1,-0.2 -2,-0.2 0.654 122.6 68.1-108.3 -26.4 29.6 -16.6 12.8 14 14 A E >< - 0 0 58 -4,-3.7 3,-0.9 1,-0.1 22,-0.2 -0.852 58.4-168.4-103.8 110.6 27.9 -15.1 15.9 15 15 A K T 3 S+ 0 0 77 -2,-0.7 21,-0.3 1,-0.2 -1,-0.1 0.694 83.7 61.4 -67.3 -21.5 24.2 -14.7 15.8 16 16 A H T 3 S+ 0 0 7 19,-0.1 -1,-0.2 20,-0.1 -5,-0.1 0.708 75.7 108.2 -79.8 -20.7 24.0 -12.5 18.9 17 17 A V S < S- 0 0 1 -3,-0.9 19,-0.6 -7,-0.1 2,-0.3 -0.390 72.7-127.1 -62.7 120.7 26.1 -9.6 17.5 18 18 A P E -J 35 0B 0 0, 0.0 2,-0.6 0, 0.0 17,-0.2 -0.539 21.2-143.0 -70.6 129.7 24.0 -6.6 16.7 19 19 A V E -J 34 0B 7 15,-3.3 15,-1.6 -2,-0.3 2,-0.5 -0.853 12.7-157.3 -98.7 122.8 24.7 -5.5 13.1 20 20 A I E +J 33 0B 14 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.873 18.4 164.9-104.9 128.5 24.7 -1.7 12.5 21 21 A E E -J 32 0B 78 11,-2.6 11,-3.6 -2,-0.5 2,-0.3 -0.980 9.8-175.2-137.1 147.0 24.0 -0.1 9.1 22 22 A Y E -J 31 0B 75 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.981 20.5-156.8-146.3 158.6 23.2 3.5 8.2 23 23 A E E -J 30 0B 125 7,-2.1 7,-2.0 -2,-0.3 2,-0.8 -0.920 17.5-149.0-137.4 106.9 22.3 5.8 5.4 24 24 A R E +J 29 0B 73 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.681 19.0 176.3 -81.7 109.9 23.1 9.5 5.7 25 25 A E E > -J 28 0B 105 3,-2.9 3,-1.7 -2,-0.8 2,-0.3 -0.889 60.9 -56.3-116.3 98.9 20.5 11.6 3.9 26 26 A G T 3 S- 0 0 64 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.523 119.3 -18.5 71.7-132.1 21.2 15.3 4.4 27 27 A E T 3 S+ 0 0 90 -2,-0.3 72,-2.0 71,-0.1 2,-0.5 0.431 124.5 94.3 -86.4 0.3 21.2 16.2 8.1 28 28 A L E < -JK 25 98B 54 -3,-1.7 -3,-2.9 70,-0.2 2,-0.6 -0.814 56.1-168.2 -99.3 130.0 19.4 12.9 8.7 29 29 A V E -JK 24 97B 0 68,-3.6 68,-3.1 -2,-0.5 2,-0.7 -0.966 8.4-158.8-117.1 112.7 21.2 9.7 9.6 30 30 A K E -JK 23 96B 51 -7,-2.0 -7,-2.1 -2,-0.6 2,-0.4 -0.844 12.5-167.0 -95.5 115.5 19.0 6.6 9.3 31 31 A V E -JK 22 95B 0 64,-3.4 64,-2.9 -2,-0.7 2,-0.5 -0.884 9.5-166.4-110.1 133.0 20.4 3.8 11.4 32 32 A K E +JK 21 94B 73 -11,-3.6 -11,-2.6 -2,-0.4 2,-0.4 -0.962 9.1 178.5-115.9 127.8 19.3 0.2 11.3 33 33 A V E +JK 20 93B 0 60,-3.4 60,-3.9 -2,-0.5 2,-0.3 -0.998 8.9 163.0-130.3 130.2 20.4 -2.3 14.0 34 34 A Q E -JK 19 92B 27 -15,-1.6 -15,-3.3 -2,-0.4 2,-0.5 -0.988 31.1-136.1-147.2 157.2 19.4 -5.9 14.1 35 35 A V E S+J 18 0B 4 56,-1.9 6,-0.4 -2,-0.3 -19,-0.1 -0.960 87.1 27.1-113.7 124.4 20.3 -9.1 15.7 36 36 A G + 0 0 14 -19,-0.6 -1,-0.2 -2,-0.5 5,-0.2 0.821 64.4 147.2 97.3 36.7 20.4 -12.3 13.6 37 37 A K S S+ 0 0 74 -3,-0.3 -2,-0.1 2,-0.1 -25,-0.1 0.895 87.7 10.4 -70.0 -43.9 21.1 -10.9 10.1 38 38 A E S S+ 0 0 101 -27,-0.5 -26,-0.1 1,-0.4 -23,-0.1 0.817 139.7 39.7 -98.6 -57.9 23.2 -13.9 8.9 39 39 A I S S- 0 0 50 -28,-0.6 -1,-0.4 -25,-0.1 -2,-0.1 -0.903 91.7-132.1-103.6 113.3 22.4 -16.3 11.7 40 40 A P - 0 0 93 0, 0.0 -4,-0.2 0, 0.0 -3,-0.1 -0.279 18.1-136.7 -52.3 132.5 18.7 -15.9 12.8 41 41 A H - 0 0 18 -6,-0.4 8,-0.1 -5,-0.2 -6,-0.1 -0.841 23.1-105.7-104.1 141.5 18.2 -15.6 16.5 42 42 A P - 0 0 54 0, 0.0 7,-0.4 0, 0.0 2,-0.2 -0.220 26.8-165.3 -58.8 153.3 15.4 -17.5 18.3 43 43 A N + 0 0 18 5,-0.2 2,-0.3 47,-0.0 5,-0.2 -0.657 35.5 131.4-142.1 80.6 12.4 -15.6 19.4 44 44 A T S S- 0 0 44 3,-3.1 3,-0.2 -2,-0.2 32,-0.1 -0.799 71.9-100.3-125.9 168.9 10.4 -17.7 21.8 45 45 A T S S+ 0 0 3 -2,-0.3 3,-0.1 1,-0.2 31,-0.1 0.870 125.2 41.6 -57.3 -36.8 8.9 -17.1 25.2 46 46 A E S S+ 0 0 45 1,-0.2 2,-0.3 29,-0.1 -1,-0.2 0.710 125.2 28.2 -84.1 -22.9 11.9 -18.8 26.7 47 47 A H S S+ 0 0 31 -3,-0.2 -3,-3.1 28,-0.1 2,-0.3 -0.933 76.9 124.5-146.8 116.8 14.7 -17.3 24.5 48 48 A H - 0 0 7 -2,-0.3 64,-2.5 -5,-0.2 2,-0.5 -0.993 58.6 -94.2-166.2 160.9 14.6 -13.9 22.8 49 49 A I E -B 111 0A 6 -7,-0.4 62,-0.3 -2,-0.3 23,-0.1 -0.733 31.6-165.6 -84.5 124.7 16.4 -10.6 22.3 50 50 A R E - 0 0 29 60,-2.8 22,-2.3 -2,-0.5 2,-0.3 0.852 56.7 -27.2 -79.7 -38.9 14.9 -8.0 24.7 51 51 A Y E -BC 110 71A 2 59,-0.8 59,-1.6 20,-0.3 2,-0.4 -0.993 43.3-135.0-168.6 169.0 16.2 -4.8 23.3 52 52 A I E -BC 109 70A 0 18,-2.2 18,-2.8 -2,-0.3 2,-0.4 -0.998 18.5-163.6-136.6 136.7 18.8 -2.9 21.3 53 53 A E E -BC 108 69A 0 55,-2.6 55,-2.4 -2,-0.4 2,-0.4 -0.950 5.7-151.6-122.6 143.9 20.3 0.5 22.3 54 54 A L E -BC 107 68A 0 14,-2.4 13,-2.9 -2,-0.4 14,-1.7 -0.962 13.1-175.6-119.8 131.5 22.2 2.9 20.0 55 55 A Y E -BC 106 66A 0 51,-2.8 51,-2.3 -2,-0.4 2,-0.4 -0.875 9.3-156.7-122.8 156.1 24.8 5.3 21.2 56 56 A F E -BC 105 65A 0 9,-2.8 9,-2.3 -2,-0.3 49,-0.2 -0.973 6.6-171.8-138.9 119.6 26.8 8.0 19.5 57 57 A L E -B 104 0A 33 47,-2.6 47,-2.3 -2,-0.4 7,-0.1 -0.926 27.4-136.3-110.0 104.7 30.2 9.4 20.5 58 58 A P E > -B 103 0A 2 0, 0.0 3,-2.1 0, 0.0 45,-0.3 -0.273 36.5 -84.2 -60.5 147.2 31.0 12.4 18.3 59 59 A E T 3 S+ 0 0 147 43,-3.1 43,-0.1 1,-0.3 3,-0.1 -0.300 112.6 4.3 -54.9 123.0 34.5 12.6 16.9 60 60 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.405 102.0 121.3 83.2 -2.5 36.8 14.3 19.5 61 61 A E < - 0 0 61 -3,-2.1 -1,-0.3 1,-0.1 3,-0.0 -0.587 57.0-143.2 -95.8 159.6 34.2 14.6 22.2 62 62 A N S S+ 0 0 110 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.575 76.5 66.1 -95.4 -13.2 34.4 13.1 25.8 63 63 A F - 0 0 42 177,-0.1 177,-0.2 -5,-0.1 -1,-0.1 -0.934 68.8-141.4-124.0 121.8 30.7 12.1 26.4 64 64 A V - 0 0 1 -2,-0.5 2,-0.4 66,-0.3 176,-0.4 -0.372 16.7-144.4 -71.4 147.6 28.7 9.5 24.6 65 65 A Y E -C 56 0A 5 -9,-2.3 -9,-2.8 174,-0.1 2,-0.6 -0.949 11.5-129.9-115.6 135.7 25.1 10.2 23.9 66 66 A Q E -C 55 0A 1 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.754 22.3-172.1 -81.9 123.7 22.4 7.6 24.0 67 67 A V E - 0 0 0 -13,-2.9 256,-1.0 -2,-0.6 257,-0.8 0.855 55.7 -43.1 -85.6 -37.8 20.6 8.0 20.7 68 68 A G E -CD 54 322A 0 -14,-1.7 -14,-2.4 254,-0.2 2,-0.4 -0.990 42.4-129.4-178.3 173.0 17.7 5.7 21.4 69 69 A R E -CD 53 321A 2 252,-1.8 252,-3.0 -2,-0.3 2,-0.5 -0.993 12.1-164.9-144.3 131.7 16.4 2.4 22.8 70 70 A V E -CD 52 320A 2 -18,-2.8 -18,-2.2 -2,-0.4 2,-0.5 -0.975 6.0-161.0-121.8 123.0 14.1 -0.2 21.2 71 71 A E E -CD 51 319A 8 248,-2.9 248,-1.6 -2,-0.5 2,-0.9 -0.892 8.0-153.5-104.7 127.7 12.4 -2.8 23.3 72 72 A F E + D 0 318A 4 -22,-2.3 246,-0.2 -2,-0.5 245,-0.1 -0.887 24.8 170.7 -99.1 103.2 11.0 -5.9 21.5 73 73 A T + 0 0 11 244,-1.1 2,-0.5 -2,-0.9 243,-0.2 0.517 42.8 79.0-100.2 -6.8 8.2 -6.9 23.9 74 74 A A + 0 0 1 243,-0.8 15,-2.7 241,-0.1 243,-0.1 -0.905 39.0 159.9-106.2 128.0 6.1 -9.7 22.3 75 75 A H B -N 88 0C 1 -2,-0.5 8,-0.4 13,-0.2 13,-0.2 -0.035 67.6 -83.7-137.6 37.7 7.5 -13.2 22.4 76 76 A G S S+ 0 0 0 11,-2.1 8,-2.9 1,-0.2 9,-2.5 0.292 78.1 145.1 84.2 -10.1 4.5 -15.6 21.9 77 77 A E + 0 0 2 6,-0.2 2,-0.3 5,-0.2 -1,-0.2 -0.334 16.0 150.9 -64.9 140.5 3.4 -15.7 25.5 78 78 A S B > -R 81 0D 10 3,-0.9 3,-2.3 343,-0.1 410,-0.1 -0.961 62.6 -89.7-158.4 171.3 -0.4 -16.0 26.1 79 79 A V T 3 S+ 0 0 74 409,-0.3 409,-0.1 1,-0.3 -2,-0.1 0.691 124.0 62.7 -61.9 -15.2 -2.9 -17.3 28.6 80 80 A N T 3 S- 0 0 138 1,-0.3 -1,-0.3 408,-0.0 -3,-0.0 0.285 121.4 -89.8 -92.4 8.9 -2.8 -20.6 26.6 81 81 A G B X -R 78 0D 23 -3,-2.3 -3,-0.9 340,-0.1 3,-0.7 -0.421 64.4 -28.9 111.9 174.1 0.9 -21.0 27.4 82 82 A P T 3 S+ 0 0 46 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.314 122.7 10.6 -64.7 146.6 4.4 -20.1 26.0 83 83 A N T 3 S+ 0 0 56 -8,-0.4 -6,-0.2 1,-0.1 -7,-0.1 0.860 97.5 106.3 53.6 45.4 4.6 -19.6 22.2 84 84 A T < + 0 0 62 -8,-2.9 -7,-0.2 -3,-0.7 -1,-0.1 0.471 53.3 76.9-128.2 -6.5 0.9 -19.6 21.6 85 85 A S S S- 0 0 0 -9,-2.5 -8,-0.1 -4,-0.2 3,-0.1 0.690 82.2-139.6 -80.2 -19.1 -0.0 -16.0 20.8 86 86 A D + 0 0 60 -10,-0.2 2,-0.5 1,-0.2 265,-0.4 0.744 68.1 118.1 63.1 22.5 1.3 -15.9 17.3 87 87 A V + 0 0 0 262,-0.1 -11,-2.1 263,-0.1 2,-0.4 -0.943 34.9 161.2-123.9 109.6 2.6 -12.4 18.2 88 88 A Y E -NO 75 348C 31 260,-2.0 260,-3.6 -2,-0.5 2,-0.7 -0.990 30.9-143.5-132.0 137.9 6.4 -11.9 18.1 89 89 A T E - 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