==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-DEC-11 3VB0 . COMPND 2 MOLECULE: GLYOXALASE/BLEOMYCIN RESISTANCE PROTEIN/DIOXYGENA . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS WITTICHII; . AUTHOR M.KOKSAL,P.KUMAR,J.T.BOLIN . 1156 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 849 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 308 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 1 0.1 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 . 101 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.8 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 4 0 4 0 0 0 4 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 8 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 . 12 8 15 7 2 4 12 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 . 4 0 0 0 0 0 4 0 0 4 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 2 A S 0 0 74 0, 0.0 68,-0.4 0, 0.0 165,-0.2 0.000 360.0 360.0 360.0 171.8 -16.5 94.9 27.3 2 3 A V - 0 0 0 163,-2.6 66,-0.2 1,-0.1 3,-0.1 -0.332 360.0-154.2 -59.6 139.9 -16.3 91.5 25.5 3 4 A K - 0 0 60 64,-2.7 2,-0.3 1,-0.3 65,-0.2 0.900 58.9 -35.3 -86.4 -46.4 -15.3 92.0 21.9 4 5 A Q E -A 67 0A 11 63,-1.5 63,-2.6 182,-0.1 2,-0.9 -0.986 59.7 -87.2-168.2 160.4 -16.9 88.9 20.3 5 6 A L E +A 66 0A 0 -2,-0.3 139,-2.3 137,-0.2 130,-0.2 -0.769 49.3 173.6 -74.5 108.8 -17.7 85.2 20.6 6 7 A G E - 0 0 0 59,-2.7 2,-0.3 -2,-0.9 60,-0.2 0.774 52.5 -6.0 -94.3 -35.2 -14.4 83.8 19.4 7 8 A Y E -A 65 0A 0 58,-1.5 58,-3.0 2,-0.0 2,-0.3 -0.991 47.1-152.8-156.3 161.6 -14.7 80.0 19.9 8 9 A L E -Ab 64 51A 0 42,-1.9 44,-2.4 -2,-0.3 2,-0.5 -0.991 11.6-160.8-133.6 139.9 -16.9 77.2 21.4 9 10 A I E -Ab 63 52A 2 54,-2.4 53,-2.6 -2,-0.3 54,-1.9 -0.993 11.3-174.5-125.4 123.8 -15.5 73.9 22.6 10 11 A F E -Ab 61 53A 5 42,-2.9 44,-2.8 -2,-0.5 2,-0.4 -0.855 17.7-141.8-112.7 148.2 -17.8 70.9 22.9 11 12 A E E -Ab 60 54A 56 49,-3.1 49,-2.2 -2,-0.3 2,-0.3 -0.920 27.2-179.0-102.8 140.7 -17.2 67.5 24.3 12 13 A C E - b 0 55A 1 42,-2.2 44,-2.0 -2,-0.4 47,-0.2 -0.996 32.0-109.2-136.3 146.9 -18.9 64.6 22.5 13 14 A R > - 0 0 143 -2,-0.3 4,-3.1 42,-0.2 5,-0.2 -0.349 50.6 -98.5 -63.8 157.5 -19.2 60.8 22.8 14 15 A A H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.815 121.4 40.8 -53.4 -44.3 -17.3 59.1 20.0 15 16 A D H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 114.7 51.0 -75.3 -40.4 -20.3 58.4 17.7 16 17 A V H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 106.8 56.4 -60.6 -40.9 -21.9 61.8 18.3 17 18 A L H X S+ 0 0 4 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.947 108.5 46.2 -57.4 -47.9 -18.5 63.5 17.5 18 19 A E H X S+ 0 0 98 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.869 112.2 51.0 -64.2 -38.4 -18.4 61.8 14.0 19 20 A Q H X S+ 0 0 83 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.832 106.6 54.5 -65.4 -35.8 -22.1 62.7 13.3 20 21 A M H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.854 99.8 60.7 -69.2 -33.7 -21.4 66.3 14.2 21 22 A V H X>S+ 0 0 11 -4,-1.7 4,-3.1 2,-0.2 5,-0.6 0.929 102.5 53.3 -57.1 -42.1 -18.6 66.5 11.7 22 23 A V H X>S+ 0 0 42 -4,-1.2 4,-2.0 1,-0.2 5,-1.2 0.953 107.8 50.8 -56.1 -49.9 -21.3 65.6 9.1 23 24 A V H X>S+ 0 0 10 -4,-1.6 5,-2.9 3,-0.2 4,-0.9 0.944 118.7 35.9 -50.4 -54.4 -23.4 68.6 10.3 24 25 A Y H <5S+ 0 0 0 -4,-2.5 6,-3.0 3,-0.2 5,-0.3 0.865 129.1 31.1 -73.9 -37.6 -20.5 71.1 10.0 25 26 A Q H <5S+ 0 0 82 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.928 128.7 30.9 -88.0 -48.6 -18.7 69.8 7.0 26 27 A D H < - 0 0 38 4,-1.3 3,-2.1 -2,-0.4 0, 0.0 -0.546 39.4 -83.4-111.4-174.6 -5.9 66.2 14.6 36 37 A E T 3 S+ 0 0 159 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.764 126.3 49.7 -58.9 -28.1 -3.8 63.5 16.2 37 38 A G T 3 S- 0 0 30 290,-0.1 -1,-0.3 291,-0.0 290,-0.1 0.297 119.6-103.2 -97.2 11.2 -6.3 63.0 19.1 38 39 A G S < S+ 0 0 28 -3,-2.1 -2,-0.1 1,-0.2 289,-0.0 0.602 70.6 150.4 78.8 10.4 -9.4 62.7 16.9 39 40 A R - 0 0 62 15,-0.1 -4,-1.3 16,-0.1 2,-0.5 -0.359 41.6-135.5 -70.2 156.9 -10.6 66.2 17.7 40 41 A A E -CD 34 53A 0 13,-2.1 13,-2.6 -6,-0.2 2,-0.8 -0.974 12.1-160.5-120.3 118.2 -12.6 68.1 15.0 41 42 A L E -CD 33 52A 25 -8,-3.0 -8,-2.3 -2,-0.5 2,-0.7 -0.884 7.8-155.6-102.5 105.8 -11.6 71.7 14.4 42 43 A V E -CD 32 51A 0 9,-3.6 8,-3.2 -2,-0.8 9,-2.0 -0.775 14.3-165.6 -90.0 116.1 -14.5 73.5 12.7 43 44 A R E +C 31 0A 24 -12,-3.8 -12,-2.1 -2,-0.7 3,-0.1 -0.881 29.0 164.5-112.3 133.5 -13.1 76.4 10.7 44 45 A L S S- 0 0 2 -2,-0.4 88,-0.3 -14,-0.2 2,-0.2 0.275 76.8 -3.9-121.9 -3.6 -15.1 79.4 9.3 45 46 A D S S- 0 0 8 2,-0.4 79,-0.1 -14,-0.1 -14,-0.1 -0.833 107.0 -48.9-160.0-155.4 -12.1 81.7 8.7 46 47 A G S S+ 0 0 8 -2,-0.2 78,-0.1 76,-0.1 -3,-0.0 0.694 96.0 107.8 -64.9 -21.7 -8.4 81.9 9.2 47 48 A R S S- 0 0 0 75,-0.1 -2,-0.4 1,-0.1 -3,-0.1 -0.304 81.4-120.1 -62.7 141.2 -8.6 80.9 12.8 48 49 A P S S- 0 0 52 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 0.812 94.1 -8.4 -48.9 -39.0 -7.3 77.3 13.7 49 50 A F - 0 0 4 49,-0.1 -6,-0.2 50,-0.1 3,-0.2 -0.951 44.6-178.2-153.4 150.5 -10.8 76.6 15.0 50 51 A R S S+ 0 0 3 -8,-3.2 -42,-1.9 1,-0.5 2,-0.4 0.619 93.3 22.6-107.2 -38.9 -14.1 78.5 15.7 51 52 A I E S-bD 8 42A 0 -9,-2.0 -9,-3.6 -44,-0.2 -1,-0.5 -0.995 76.0-169.2-122.1 134.0 -15.9 75.4 17.0 52 53 A R E -bD 9 41A 4 -44,-2.4 -42,-2.9 -2,-0.4 2,-0.5 -0.988 9.5-155.6-124.8 136.8 -13.9 72.4 18.3 53 54 A L E -bD 10 40A 2 -13,-2.6 -13,-2.1 -2,-0.4 -42,-0.2 -0.948 13.7-170.9-109.0 124.3 -15.3 69.0 19.2 54 55 A D E -b 11 0A 22 -44,-2.8 -42,-2.2 -2,-0.5 -15,-0.1 -0.931 29.4-108.4-115.9 138.3 -13.3 67.0 21.8 55 56 A P E +b 12 0A 74 0, 0.0 -42,-0.2 0, 0.0 -16,-0.1 -0.410 53.7 151.6 -66.3 139.1 -13.9 63.3 22.6 56 57 A G - 0 0 20 -44,-2.0 -42,-0.1 -2,-0.1 -46,-0.0 -0.963 58.1-103.1-159.3 166.8 -15.4 62.9 26.1 57 58 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 -44,-0.1 0.616 103.7 32.8 -72.8 -14.5 -17.7 60.6 28.1 58 59 A A S S- 0 0 48 -46,-0.1 2,-0.7 2,-0.1 -47,-0.0 -0.986 82.9-111.8-143.3 153.3 -20.6 63.0 27.8 59 60 A N + 0 0 62 -2,-0.3 2,-0.3 -47,-0.2 -47,-0.2 -0.752 59.1 131.8 -82.3 115.6 -22.1 65.5 25.3 60 61 A R E -A 11 0A 104 -49,-2.2 -49,-3.1 -2,-0.7 2,-0.6 -0.991 63.8-100.2-158.5 156.8 -21.7 69.0 26.7 61 62 A L E -A 10 0A 15 -2,-0.3 -51,-0.3 -51,-0.2 52,-0.2 -0.736 40.4-178.2 -74.4 122.2 -20.6 72.5 25.9 62 63 A A E + 0 0 12 -53,-2.6 2,-0.3 -2,-0.6 -52,-0.2 0.760 56.0 7.5-101.6 -30.3 -17.2 72.6 27.6 63 64 A A E -A 9 0A 0 -54,-1.9 -54,-2.4 49,-0.1 2,-0.5 -0.956 50.1-153.5-157.0 137.4 -16.0 76.2 27.0 64 65 A I E -Ae 8 114A 5 49,-2.3 51,-2.9 -2,-0.3 2,-0.8 -0.960 20.5-149.0-109.3 122.2 -17.2 79.5 25.7 65 66 A G E -Ae 7 115A 0 -58,-3.0 -59,-2.7 -2,-0.5 -58,-1.5 -0.809 11.4-170.7-100.8 104.2 -14.4 81.7 24.3 66 67 A W E -Ae 5 116A 1 49,-2.9 51,-2.4 -2,-0.8 2,-0.3 -0.841 16.5-144.2 -93.8 111.5 -15.1 85.4 24.7 67 68 A N E +Ae 4 117A 4 -63,-2.6 -64,-2.7 -2,-0.7 -63,-1.5 -0.561 23.6 179.8 -76.2 135.0 -12.5 87.3 22.8 68 69 A V - 0 0 1 49,-2.6 51,-0.4 -2,-0.3 -66,-0.1 -0.966 33.9-100.9-131.9 153.7 -11.4 90.6 24.5 69 70 A D >> - 0 0 66 -68,-0.4 3,-2.0 -2,-0.3 4,-1.1 -0.489 37.8-114.7 -67.5 144.6 -9.0 93.3 23.6 70 71 A P H >> S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.876 116.2 55.2 -45.8 -43.5 -5.7 93.0 25.5 71 72 A S H 34 S+ 0 0 104 1,-0.2 4,-0.3 2,-0.1 -2,-0.0 0.681 110.4 45.1 -69.7 -19.2 -6.4 96.3 27.3 72 73 A D H <> S+ 0 0 50 -3,-2.0 4,-2.6 2,-0.1 5,-0.3 0.589 90.3 85.7 -96.4 -14.2 -9.8 95.1 28.6 73 74 A L H S+ 0 0 53 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.932 111.0 44.7 -70.5 -47.4 -10.4 94.9 33.9 76 77 A I H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 111.3 54.1 -63.8 -42.6 -13.2 92.5 32.8 77 78 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.885 106.2 54.1 -58.1 -39.0 -11.7 89.7 34.9 78 79 A E H X S+ 0 0 104 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.905 107.6 48.7 -61.9 -42.0 -11.8 92.0 37.9 79 80 A Q H X S+ 0 0 79 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.857 108.7 54.0 -68.3 -34.2 -15.5 92.7 37.4 80 81 A V H <>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 -1,-0.2 0.932 108.7 48.9 -62.9 -43.6 -16.2 89.0 37.2 81 82 A E H ><5S+ 0 0 102 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.901 108.2 53.8 -62.9 -38.7 -14.4 88.5 40.4 82 83 A K H 3<5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 101.9 58.2 -64.2 -32.0 -16.5 91.3 42.0 83 84 A A T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.310 127.2-107.4 -77.7 8.6 -19.6 89.5 40.8 84 85 A C T < 5S+ 0 0 115 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.745 78.8 127.9 69.4 29.3 -18.2 86.6 43.0 85 86 A Y < - 0 0 36 -5,-1.9 2,-0.3 21,-0.0 -1,-0.2 -0.970 60.2-123.9-104.9 131.3 -17.0 84.2 40.3 86 87 A S - 0 0 98 -2,-0.5 2,-0.6 21,-0.2 21,-0.4 -0.580 22.0-151.8 -72.3 129.4 -13.3 83.1 40.8 87 88 A V - 0 0 18 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.915 8.6-160.9-106.7 118.0 -11.2 83.7 37.7 88 89 A V E -F 105 0A 84 17,-2.8 17,-2.9 -2,-0.6 2,-0.5 -0.787 17.6-125.6-101.4 141.8 -8.2 81.4 37.1 89 90 A T E -F 104 0A 106 -2,-0.4 15,-0.2 15,-0.2 2,-0.1 -0.711 28.5-127.0 -83.2 125.8 -5.2 82.3 34.9 90 91 A A - 0 0 20 13,-2.7 13,-0.2 -2,-0.5 -1,-0.0 -0.448 20.5-124.5 -72.5 146.8 -4.6 79.6 32.2 91 92 A D > - 0 0 101 -2,-0.1 4,-2.3 11,-0.1 5,-0.2 -0.179 35.0 -91.0 -79.7 179.9 -1.1 78.1 31.9 92 93 A A H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.871 124.5 52.5 -63.1 -39.2 0.9 78.0 28.7 93 94 A E H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.3 46.0 -63.3 -43.7 -0.5 74.7 27.5 94 95 A L H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.928 112.8 49.6 -68.1 -44.8 -4.1 75.7 27.9 95 96 A A H <>S+ 0 0 10 -4,-2.3 5,-2.8 1,-0.2 4,-0.3 0.944 114.4 44.8 -58.4 -49.3 -3.6 79.1 26.2 96 97 A A H ><5S+ 0 0 74 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.896 108.0 58.5 -61.8 -40.2 -1.8 77.4 23.3 97 98 A D H 3<5S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.2 44.9 -56.8 -37.7 -4.5 74.7 23.2 98 99 A R T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.483 113.5-120.8 -81.6 -1.9 -7.1 77.4 22.6 99 100 A A T < 5S+ 0 0 21 -3,-1.8 21,-1.0 -4,-0.3 2,-0.3 0.907 72.7 132.5 54.3 45.8 -4.8 79.1 20.0 100 101 A A E < - 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