==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-SEP-12 4HC5 . COMPND 2 MOLECULE: GLYOXALASE/BLEOMYCIN RESISTANCE PROTEIN/DIOXYGENA . SOURCE 2 ORGANISM_SCIENTIFIC: SPHAEROBACTER THERMOPHILUS; . AUTHOR B.NOCEK,C.HATZOS-SKINTGES,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST . 508 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 23.2 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 . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 7 1 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 4 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 PARALLEL BRIDGES PER LADDER . 1 12 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 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 5 A S 0 0 105 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 139.1 -43.1 39.1 -20.9 2 6 A L - 0 0 56 1,-0.1 206,-0.4 175,-0.1 207,-0.3 -0.491 360.0-125.9 -66.9 146.1 -40.3 36.9 -22.2 3 7 A X S S+ 0 0 22 1,-0.2 2,-0.4 152,-0.2 206,-0.2 0.973 99.9 22.3 -55.2 -48.2 -38.4 38.3 -25.1 4 8 A I - 0 0 2 151,-0.5 203,-0.2 1,-0.1 -1,-0.2 -0.976 57.5-174.5-133.2 122.6 -39.3 35.0 -27.0 5 9 A A - 0 0 11 201,-2.7 2,-0.3 -2,-0.4 202,-0.2 0.862 67.0 -36.5 -80.3 -46.6 -42.1 32.6 -26.4 6 10 A Y E -A 206 0A 34 200,-1.1 200,-2.7 173,-0.1 2,-0.6 -0.976 62.0 -82.9-168.5 166.1 -41.2 29.8 -28.9 7 11 A V E -A 205 0A 3 174,-0.3 198,-0.2 -2,-0.3 174,-0.2 -0.722 35.0-165.8 -78.8 116.0 -39.9 28.9 -32.3 8 12 A H E - 0 0 32 196,-2.2 47,-2.5 -2,-0.6 2,-0.3 0.936 60.7 -29.3 -67.2 -47.9 -42.8 29.3 -34.8 9 13 A S E -Ab 204 55A 1 195,-1.2 195,-2.1 45,-0.2 -1,-0.3 -0.983 44.5-143.5-166.8 154.2 -41.2 27.5 -37.7 10 14 A A E - b 0 56A 5 45,-1.6 47,-3.1 -2,-0.3 2,-0.4 -0.830 30.6-125.9-120.2 162.6 -38.0 26.5 -39.5 11 15 A T E - b 0 57A 34 190,-0.4 2,-0.3 -2,-0.3 47,-0.2 -0.910 18.8-171.2-118.5 139.5 -37.7 26.3 -43.3 12 16 A I E - b 0 58A 5 45,-2.9 47,-2.6 -2,-0.4 2,-0.5 -0.844 26.9-122.0-117.3 160.5 -36.6 23.6 -45.7 13 17 A I E + b 0 59A 16 -2,-0.3 58,-0.5 56,-0.2 2,-0.2 -0.935 33.4 175.0-106.7 126.7 -36.2 24.2 -49.5 14 18 A V - 0 0 0 45,-3.0 3,-0.2 -2,-0.5 44,-0.0 -0.763 34.7-133.8-124.7 164.3 -38.2 22.1 -51.9 15 19 A S S S+ 0 0 76 1,-0.3 2,-0.3 -2,-0.2 45,-0.1 0.690 95.1 23.9 -91.6 -21.1 -38.5 22.1 -55.7 16 20 A D > - 0 0 60 1,-0.1 4,-2.4 43,-0.1 -1,-0.3 -0.905 61.9-157.2-151.8 114.7 -42.4 21.8 -55.7 17 21 A Q H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.857 94.0 50.1 -63.0 -44.7 -44.6 22.9 -53.0 18 22 A E H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 113.5 45.3 -60.8 -45.0 -47.6 20.7 -53.9 19 23 A K H > S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 112.2 52.5 -67.6 -37.2 -45.5 17.6 -54.2 20 24 A A H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.938 107.1 52.4 -64.5 -40.5 -43.7 18.4 -50.9 21 25 A L H X>S+ 0 0 13 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.919 107.5 52.2 -58.1 -45.7 -47.1 18.8 -49.2 22 26 A D H X>S+ 0 0 94 -4,-1.9 4,-2.0 1,-0.2 5,-0.8 0.930 113.3 44.6 -57.2 -45.9 -48.1 15.3 -50.5 23 27 A F H X>S+ 0 0 19 -4,-2.0 5,-2.1 3,-0.2 4,-1.4 0.954 117.8 40.8 -62.7 -56.8 -44.9 13.9 -49.1 24 28 A Y H <5S+ 0 0 2 -4,-3.0 6,-2.7 3,-0.2 -2,-0.2 0.886 125.3 36.6 -64.0 -40.4 -45.0 15.6 -45.6 25 29 A V H X5S+ 0 0 44 -4,-2.9 4,-0.6 -5,-0.3 -3,-0.2 0.951 129.3 27.7 -78.4 -57.0 -48.7 15.2 -45.1 26 30 A N H < S-C 42 0A 78 3,-1.1 3,-1.3 -3,-0.1 -1,-0.2 -0.890 87.1 -83.8-155.4 178.7 -47.6 38.3 -51.8 40 44 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.741 127.3 42.0 -68.3 -18.1 -47.8 37.3 -55.5 41 45 A N T 3 S+ 0 0 139 1,-0.2 2,-0.4 22,-0.0 -4,-0.0 0.357 107.8 64.6-102.9 2.1 -44.4 35.6 -55.4 42 46 A X E < -C 39 0A 45 -3,-1.3 -4,-1.7 2,-0.0 -3,-1.1 -0.912 51.0-175.0-136.1 113.1 -44.7 33.8 -52.1 43 47 A R E -C 37 0A 51 -2,-0.4 2,-0.7 -6,-0.2 -6,-0.2 -0.899 27.1-146.8 -95.3 103.1 -47.2 31.0 -51.3 44 48 A F E +C 36 0A 26 -8,-2.9 -8,-2.2 -2,-0.8 2,-0.4 -0.734 25.0 176.2 -82.7 114.1 -46.4 30.5 -47.7 45 49 A V E +C 35 0A 0 -2,-0.7 13,-2.7 13,-0.3 2,-0.3 -0.978 4.5 174.8-127.2 129.5 -46.9 26.8 -46.9 46 50 A T E - D 0 57A 0 -12,-2.0 -13,-2.8 -2,-0.4 2,-0.3 -0.966 11.6-164.8-134.4 157.0 -46.2 25.1 -43.6 47 51 A V E -CD 32 56A 0 9,-2.4 9,-2.8 -2,-0.3 -15,-0.2 -0.925 7.5-164.9-133.7 154.2 -46.7 21.6 -42.1 48 52 A V E -C 31 0A 9 -17,-2.3 -17,-2.8 -2,-0.3 7,-0.1 -1.000 29.4-107.1-141.3 142.5 -46.6 20.4 -38.5 49 53 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 -19,-0.2 -0.458 63.3 -82.9 -61.8 141.5 -46.4 17.0 -36.7 50 54 A P T 3 S+ 0 0 30 0, 0.0 3,-0.1 0, 0.0 79,-0.1 -0.233 112.4 1.8 -56.0 128.0 -49.8 16.3 -35.2 51 55 A G T 3 S+ 0 0 85 1,-0.2 2,-0.1 -3,-0.1 81,-0.1 0.371 103.6 126.0 78.9 -3.3 -50.3 18.1 -31.9 52 56 A A < - 0 0 20 -3,-2.3 -1,-0.2 1,-0.1 81,-0.1 -0.473 55.9-140.2 -91.0 161.4 -46.8 19.8 -32.0 53 57 A Q S S+ 0 0 75 -2,-0.1 2,-0.3 81,-0.1 -1,-0.1 0.966 76.9 66.8 -82.7 -58.4 -46.0 23.4 -31.7 54 58 A T - 0 0 2 80,-0.2 80,-0.3 1,-0.1 -45,-0.2 -0.495 68.0-154.8 -79.3 131.4 -43.2 24.2 -34.2 55 59 A Q E -b 9 0A 25 -47,-2.5 -45,-1.6 -2,-0.3 2,-0.5 -0.421 11.4-130.2 -96.0 164.5 -44.0 24.0 -37.9 56 60 A V E -bD 10 47A 3 -9,-2.8 -9,-2.4 -47,-0.2 2,-0.4 -0.993 19.5-143.2-118.4 122.8 -41.8 23.4 -41.0 57 61 A A E -bD 11 46A 0 -47,-3.1 -45,-2.9 -2,-0.5 2,-1.0 -0.706 7.3-141.2 -84.5 136.0 -42.1 25.9 -43.8 58 62 A L E -b 12 0A 0 -13,-2.7 -13,-0.3 -2,-0.4 -45,-0.2 -0.818 34.6-178.1-100.8 87.9 -41.9 24.4 -47.3 59 63 A G E -b 13 0A 0 -47,-2.6 -45,-3.0 -2,-1.0 -43,-0.1 -0.383 19.4-134.9 -87.7 164.5 -39.9 27.1 -49.1 60 64 A L > - 0 0 34 -47,-0.2 3,-2.4 -2,-0.1 4,-0.3 -0.893 25.5-115.4-113.8 153.9 -38.7 27.5 -52.7 61 65 A P G > S+ 0 0 29 0, 0.0 3,-2.1 0, 0.0 6,-0.2 0.857 114.5 66.1 -52.4 -35.5 -35.4 28.6 -54.0 62 66 A S G 3 S+ 0 0 89 1,-0.3 7,-0.0 5,-0.1 -21,-0.0 0.626 85.0 70.7 -63.8 -16.2 -37.2 31.6 -55.5 63 67 A W G < S+ 0 0 35 -3,-2.4 -1,-0.3 2,-0.0 2,-0.3 0.649 98.2 62.4 -64.4 -20.1 -38.0 32.8 -52.0 64 68 A Y < - 0 0 36 -3,-2.1 3,-0.2 -4,-0.3 0, 0.0 -0.770 60.1-154.8-122.3 155.2 -34.3 33.7 -51.5 65 69 A E S S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.1 0.421 87.4 68.9-101.8 -7.1 -31.5 35.9 -53.0 66 70 A D S S- 0 0 97 -5,-0.1 -1,-0.1 2,-0.0 0, 0.0 0.320 105.8-108.4-101.2 8.9 -28.6 33.8 -51.9 67 71 A G + 0 0 55 -6,-0.2 2,-0.1 1,-0.2 -5,-0.1 0.581 54.2 166.3 79.9 11.5 -28.9 30.7 -54.1 68 72 A R - 0 0 61 -7,-0.2 -1,-0.2 -8,-0.1 -4,-0.2 -0.397 13.4-178.3 -63.8 138.8 -30.0 28.3 -51.4 69 73 A K - 0 0 144 2,-0.2 -56,-0.2 1,-0.1 -54,-0.1 -0.808 28.7 -78.7-135.0 166.6 -31.4 25.1 -53.0 70 74 A P S S+ 0 0 41 0, 0.0 -56,-0.1 0, 0.0 -1,-0.1 -0.229 80.0 53.9 -66.7 158.2 -33.0 21.8 -52.0 71 75 A G + 0 0 37 -58,-0.5 48,-0.3 1,-0.2 47,-0.2 0.194 65.0 60.2 103.1 148.8 -31.0 18.8 -50.7 72 76 A G E S-i 119 0B 35 46,-2.1 48,-2.6 49,-0.0 2,-0.2 -0.386 91.8 -15.5 100.1-178.5 -28.4 18.1 -48.1 73 77 A Y E -i 120 0B 130 46,-0.2 48,-0.1 1,-0.2 46,-0.1 -0.469 49.2-166.6 -61.5 123.9 -28.4 18.2 -44.3 74 78 A T E - 0 0 31 46,-2.0 64,-0.4 -2,-0.2 -1,-0.2 0.678 30.2-130.1 -83.8 -21.5 -31.2 20.3 -43.1 75 79 A G E + 0 0 13 45,-0.3 2,-0.5 1,-0.3 109,-0.2 0.544 69.4 127.8 76.7 6.4 -29.9 20.7 -39.5 76 80 A I E - 0 0 5 44,-0.5 46,-1.5 61,-0.2 2,-0.4 -0.854 42.9-164.6 -99.2 128.5 -33.5 19.6 -38.4 77 81 A S E -iJ 122 136B 21 59,-2.1 58,-2.5 -2,-0.5 59,-1.2 -0.904 6.3-156.9-112.2 140.0 -33.8 16.7 -36.0 78 82 A L E -iJ 123 134B 1 44,-3.0 46,-2.7 -2,-0.4 2,-0.4 -0.932 5.5-140.9-119.5 140.9 -37.1 14.9 -35.6 79 83 A I E -iJ 124 133B 5 54,-2.8 53,-2.9 -2,-0.4 54,-1.2 -0.825 17.0-179.8-104.8 138.1 -38.4 12.9 -32.6 80 84 A T E -i 125 0B 0 44,-2.2 46,-2.5 -2,-0.4 3,-0.2 -0.966 26.4-143.6-126.3 149.7 -40.5 9.7 -32.9 81 85 A R S S+ 0 0 140 48,-0.4 2,-0.3 -2,-0.3 44,-0.1 0.618 97.1 31.6 -83.8 -15.5 -41.8 7.7 -29.9 82 86 A D > + 0 0 57 47,-0.4 4,-2.1 48,-0.2 -1,-0.2 -0.781 63.1 177.1-144.2 93.5 -41.3 4.3 -31.8 83 87 A I H > S+ 0 0 0 -2,-0.3 4,-2.4 -3,-0.2 5,-0.2 0.802 80.8 57.5 -73.3 -27.4 -38.4 4.3 -34.2 84 88 A D H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 111.7 42.9 -67.6 -43.6 -38.8 0.7 -35.2 85 89 A E H > S+ 0 0 72 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.909 114.0 51.0 -66.6 -42.8 -42.4 1.3 -36.3 86 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.942 112.7 46.4 -60.3 -48.1 -41.4 4.6 -38.0 87 91 A Y H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 115.5 45.7 -59.3 -47.2 -38.6 2.9 -39.9 88 92 A K H X S+ 0 0 110 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.956 119.6 38.3 -61.6 -56.2 -40.9 -0.1 -40.9 89 93 A T H X S+ 0 0 15 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.931 116.9 49.4 -71.1 -41.3 -43.9 1.9 -42.0 90 94 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.4 -1,-0.2 0.912 110.6 51.3 -63.3 -37.4 -42.0 4.8 -43.6 91 95 A T H ><5S+ 0 0 62 -4,-2.1 3,-1.6 -5,-0.4 -1,-0.2 0.931 108.7 51.6 -61.2 -45.3 -39.8 2.2 -45.6 92 96 A E H 3<5S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.868 107.5 54.3 -54.8 -32.8 -43.1 0.5 -46.7 93 97 A R T 3<5S- 0 0 120 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.414 127.7-100.3 -87.3 -1.5 -44.3 4.0 -47.9 94 98 A G T < 5 + 0 0 61 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.523 66.8 154.2 94.3 13.0 -41.1 4.4 -50.0 95 99 A V < - 0 0 12 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.3 -0.488 41.7-126.7 -73.6 142.9 -38.9 6.6 -47.8 96 100 A T E -K 114 0B 100 18,-0.6 18,-2.0 -2,-0.2 2,-0.3 -0.788 28.9-177.6 -90.1 112.3 -35.2 6.4 -48.2 97 101 A F E -K 113 0B 28 -2,-0.6 16,-0.3 16,-0.2 -10,-0.0 -0.790 30.5-135.6-104.2 153.3 -33.2 5.7 -45.0 98 102 A T S S- 0 0 77 14,-2.4 15,-0.1 1,-0.3 -1,-0.1 0.791 80.9 -35.7 -73.2 -31.0 -29.5 5.5 -44.7 99 103 A K S S- 0 0 77 13,-0.4 -1,-0.3 3,-0.0 13,-0.3 -0.934 80.8 -66.0-177.1 170.2 -29.6 2.4 -42.5 100 104 A P S S- 0 0 69 0, 0.0 10,-0.1 0, 0.0 12,-0.1 -0.262 72.6 -69.4 -69.0 164.6 -31.8 0.9 -39.8 101 105 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.225 59.6-174.2 -50.3 138.8 -32.1 2.5 -36.4 102 106 A E E -L 110 0B 90 8,-2.2 8,-2.2 -3,-0.1 2,-0.4 -0.958 29.7 -97.1-139.6 147.4 -28.9 2.2 -34.4 103 107 A X E -L 109 0B 75 -2,-0.3 6,-0.2 6,-0.2 182,-0.0 -0.572 34.7-146.9 -70.3 124.6 -27.8 3.0 -30.9 104 108 A X > - 0 0 14 4,-2.6 3,-2.4 -2,-0.4 4,-0.2 -0.614 26.1-111.6 -84.8 156.1 -26.1 6.3 -30.6 105 109 A P T 3 S+ 0 0 54 0, 0.0 183,-2.7 0, 0.0 -1,-0.1 0.568 115.6 63.9 -78.1 1.9 -23.3 6.7 -28.0 106 110 A W T 3 S- 0 0 53 2,-0.2 181,-0.1 181,-0.2 3,-0.1 0.243 123.0 -99.4 -98.6 12.0 -25.5 9.1 -26.0 107 111 A G S < S+ 0 0 26 -3,-2.4 2,-0.3 179,-0.3 180,-0.1 0.585 86.8 103.4 92.2 16.5 -28.1 6.3 -25.4 108 112 A Q - 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