==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAR-13 4JTN . COMPND 2 MOLECULE: CYSTEINE DIOXYGENASE TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.M.DRIGGERS,P.A.KARPLUS . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 21 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 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 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 1 3 1 2 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 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 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 E 0 0 211 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.8 -24.0 21.6 -34.3 2 6 A L - 0 0 66 3,-0.0 2,-0.3 0, 0.0 12,-0.0 -0.653 360.0-177.9 -84.0 117.9 -23.3 20.5 -37.9 3 7 A L - 0 0 104 -2,-0.6 32,-0.1 1,-0.0 11,-0.0 -0.786 37.5 -89.7-110.5 159.3 -21.7 23.1 -40.1 4 8 A K - 0 0 109 -2,-0.3 2,-0.3 1,-0.1 28,-0.1 -0.450 42.7-117.6 -66.1 128.5 -20.8 22.7 -43.7 5 9 A P - 0 0 2 0, 0.0 32,-0.5 0, 0.0 -1,-0.1 -0.562 21.1-160.7 -67.6 130.5 -17.3 21.4 -44.3 6 10 A R S S- 0 0 125 -2,-0.3 2,-0.3 30,-0.1 -2,-0.0 0.742 70.8 -2.4 -80.6 -29.2 -15.3 24.1 -46.1 7 11 A T S > S- 0 0 48 1,-0.1 4,-2.6 -3,-0.0 5,-0.2 -0.907 81.6 -92.9-153.0 169.7 -12.6 21.7 -47.3 8 12 A L H > S+ 0 0 6 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.908 126.7 52.4 -59.9 -43.3 -11.7 18.0 -47.1 9 13 A A H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 109.4 49.3 -58.4 -40.9 -9.5 18.9 -44.1 10 14 A D H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 109.1 52.3 -65.8 -43.0 -12.4 20.6 -42.5 11 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.913 108.3 51.1 -55.2 -46.5 -14.6 17.6 -43.1 12 16 A I H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.944 109.2 50.4 -62.7 -43.2 -12.0 15.3 -41.5 13 17 A R H X S+ 0 0 110 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.942 111.7 48.6 -56.5 -46.6 -11.9 17.6 -38.4 14 18 A I H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.910 108.2 54.2 -61.8 -42.4 -15.7 17.5 -38.2 15 19 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.891 103.0 55.9 -60.4 -39.1 -15.7 13.7 -38.6 16 20 A H H < S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.7 48.0 -60.7 -33.7 -13.3 13.4 -35.6 17 21 A E H >< S+ 0 0 114 -4,-1.4 3,-1.4 -3,-0.3 4,-0.2 0.924 110.4 50.2 -70.9 -43.0 -15.9 15.3 -33.6 18 22 A L H 3< S+ 0 0 37 -4,-2.4 7,-0.3 1,-0.3 3,-0.3 0.751 116.0 42.5 -68.7 -21.7 -18.8 13.1 -34.8 19 23 A F T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.155 80.1 107.3-108.3 15.1 -17.0 10.0 -33.9 20 24 A A S < S+ 0 0 69 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.784 79.5 49.3 -62.9 -25.3 -15.6 11.2 -30.5 21 25 A G S S- 0 0 39 2,-0.3 -3,-0.0 -3,-0.3 0, 0.0 -0.119 98.4 -93.9-105.0-160.8 -18.1 9.0 -28.7 22 26 A D S S+ 0 0 150 -2,-0.1 2,-0.2 2,-0.0 -3,-0.1 0.580 97.9 52.2 -98.1 -14.0 -19.2 5.4 -28.8 23 27 A E S S- 0 0 163 2,-0.0 2,-0.4 0, 0.0 -2,-0.3 -0.623 73.3-127.7-117.9 179.2 -22.1 5.6 -31.1 24 28 A V - 0 0 30 -2,-0.2 2,-1.1 130,-0.0 3,-0.1 -0.992 2.6-148.6-136.8 121.1 -22.8 7.0 -34.6 25 29 A N > - 0 0 71 -2,-0.4 4,-2.4 -7,-0.3 5,-0.2 -0.810 20.3-170.4 -87.7 97.6 -25.5 9.4 -35.7 26 30 A V H > S+ 0 0 19 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.888 79.6 51.4 -61.9 -43.8 -25.8 8.1 -39.2 27 31 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 111.8 47.7 -64.2 -36.5 -28.0 10.8 -40.5 28 32 A E H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.9 48.0 -68.6 -43.1 -25.7 13.5 -39.2 29 33 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.936 113.6 47.6 -62.4 -44.8 -22.6 11.8 -40.7 30 34 A Q H X S+ 0 0 55 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.915 110.2 53.0 -63.3 -40.9 -24.3 11.4 -44.0 31 35 A A H X S+ 0 0 51 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.903 110.9 45.7 -62.2 -41.9 -25.5 15.0 -44.0 32 36 A V H X S+ 0 0 4 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.879 112.3 50.7 -70.3 -38.4 -21.9 16.3 -43.4 33 37 A L H < S+ 0 0 1 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.933 112.7 46.5 -63.3 -45.1 -20.5 14.1 -46.0 34 38 A E H < S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 108.6 57.0 -63.8 -37.2 -23.1 15.2 -48.5 35 39 A A H < S+ 0 0 35 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 0.757 83.1 93.7 -70.8 -26.6 -22.5 18.8 -47.6 36 40 A Y S < S- 0 0 2 -4,-1.4 2,-0.8 -3,-0.4 -30,-0.1 -0.552 75.8-139.1 -64.5 123.5 -18.8 18.8 -48.4 37 41 A E - 0 0 128 -32,-0.5 -29,-0.1 -2,-0.4 -2,-0.1 -0.761 25.5-114.3 -90.5 114.0 -18.5 20.0 -52.0 38 42 A S - 0 0 22 -2,-0.8 3,-0.1 55,-0.2 -1,-0.1 -0.195 33.1-172.5 -52.5 127.4 -15.9 17.8 -53.7 39 43 A N >> - 0 0 68 1,-0.1 3,-1.9 0, 0.0 4,-0.7 -0.932 13.3-154.8-123.5 104.7 -12.9 19.8 -54.6 40 44 A P H >> S+ 0 0 70 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.773 90.3 61.7 -53.9 -33.6 -10.5 17.7 -56.7 41 45 A A H 34 S+ 0 0 83 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.838 100.3 56.5 -60.8 -30.6 -7.4 19.7 -55.7 42 46 A E H <4 S+ 0 0 56 -3,-1.9 -1,-0.2 1,-0.2 3,-0.1 0.743 119.0 28.7 -74.6 -23.5 -8.0 18.7 -52.1 43 47 A W H XX S+ 0 0 8 -3,-0.8 3,-1.7 -4,-0.7 4,-0.9 0.356 83.5 106.0-120.4 5.4 -7.9 15.0 -52.8 44 48 A A G >< S+ 0 0 62 -4,-1.1 3,-0.9 1,-0.3 -2,-0.1 0.862 76.6 64.1 -52.2 -37.6 -5.7 14.6 -55.9 45 49 A L G 34 S+ 0 0 96 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.798 108.1 40.3 -55.5 -34.6 -2.9 13.2 -53.6 46 50 A Y G <4 S+ 0 0 39 -3,-1.7 2,-2.1 1,-0.1 -1,-0.3 0.566 88.4 96.2 -92.1 -11.2 -5.1 10.2 -52.8 47 51 A A << + 0 0 25 -3,-0.9 2,-0.7 -4,-0.9 -1,-0.1 -0.502 47.7 155.5 -89.4 71.8 -6.5 9.6 -56.2 48 52 A K - 0 0 56 -2,-2.1 24,-0.2 22,-0.2 2,-0.2 -0.892 25.0-159.8-104.4 109.7 -4.1 7.0 -57.3 49 53 A F - 0 0 83 -2,-0.7 2,-0.4 22,-0.1 5,-0.1 -0.528 10.5-151.3 -89.7 155.4 -5.6 4.8 -60.0 50 54 A D - 0 0 53 3,-0.6 24,-0.3 22,-0.3 5,-0.1 -0.959 18.7-133.4-118.9 143.4 -4.7 1.3 -61.2 51 55 A Q S S+ 0 0 152 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.843 99.6 38.5 -63.6 -32.2 -5.3 0.2 -64.7 52 56 A Y S S+ 0 0 176 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.693 121.3 4.4-102.4 -23.3 -6.9 -3.1 -63.9 53 57 A R S S- 0 0 118 24,-0.1 -3,-0.6 19,-0.0 -1,-0.2 -0.976 82.0 -78.5-155.6 169.7 -9.0 -2.6 -60.8 54 58 A Y - 0 0 34 -2,-0.3 2,-0.3 24,-0.3 19,-0.2 -0.409 45.6-141.8 -73.1 152.1 -10.3 -0.1 -58.3 55 59 A T E -A 72 0A 5 17,-1.9 17,-1.8 -2,-0.1 2,-0.5 -0.841 3.4-140.6-118.3 151.0 -7.9 1.1 -55.7 56 60 A R E -A 71 0A 8 -2,-0.3 122,-2.5 120,-0.3 123,-1.1 -0.965 18.1-170.6-113.5 122.9 -8.4 1.9 -52.0 57 61 A N E -Ab 70 179A 0 13,-2.4 13,-2.9 -2,-0.5 123,-0.2 -0.937 18.3-135.1-123.3 109.4 -6.4 4.9 -50.7 58 62 A L E +Ab 69 180A 0 121,-2.7 123,-2.8 -2,-0.6 124,-0.5 -0.432 28.7 168.6 -71.0 131.2 -6.3 5.6 -47.0 59 63 A V E + 0 0 6 9,-3.0 2,-0.3 1,-0.4 10,-0.2 0.781 65.2 2.2-107.5 -46.4 -6.9 9.2 -46.1 60 64 A D E -A 68 0A 36 8,-2.1 8,-2.9 1,-0.0 -1,-0.4 -0.998 46.4-152.4-149.2 140.3 -7.4 9.2 -42.4 61 65 A Q > > - 0 0 94 -2,-0.3 3,-1.6 1,-0.3 5,-0.6 0.395 38.3-150.5 -94.3 4.2 -7.4 6.6 -39.6 62 66 A G T 3 5 - 0 0 16 1,-0.2 -1,-0.3 2,-0.2 -46,-0.1 -0.188 55.1 -44.3 63.6-150.7 -9.8 8.6 -37.5 63 67 A N T 3 5S- 0 0 66 -3,-0.1 -1,-0.2 -44,-0.1 4,-0.1 0.153 95.1 -81.1 -93.5 19.9 -9.5 8.1 -33.8 64 68 A G T < 5S+ 0 0 54 -3,-1.6 -2,-0.2 2,-0.4 3,-0.1 0.303 124.8 100.9 78.7 6.1 -9.2 4.4 -34.5 65 69 A K T 5S+ 0 0 59 1,-0.2 2,-0.3 90,-0.1 -3,-0.2 0.680 87.5 6.9 -95.1 -14.0 -12.9 4.9 -34.7 66 70 A F < - 0 0 0 -5,-0.6 2,-0.5 88,-0.2 -2,-0.4 -0.991 59.4-132.5-158.6 153.2 -13.2 5.0 -38.5 67 71 A N E - C 0 153A 14 86,-2.4 86,-2.1 -2,-0.3 2,-0.5 -0.959 22.3-163.9-102.8 130.2 -11.2 4.4 -41.7 68 72 A L E +AC 60 152A 0 -8,-2.9 -9,-3.0 -2,-0.5 -8,-2.1 -0.979 22.8 162.8-112.2 124.2 -11.7 7.3 -44.2 69 73 A M E -AC 58 151A 0 82,-2.9 82,-3.6 -2,-0.5 2,-0.5 -0.933 35.8-129.6-142.1 160.7 -10.5 6.3 -47.7 70 74 A I E -AC 57 150A 0 -13,-2.9 -13,-2.4 -2,-0.3 2,-0.4 -0.960 18.6-156.2-114.1 127.4 -10.8 7.2 -51.3 71 75 A L E -AC 56 149A 5 78,-2.8 78,-2.6 -2,-0.5 2,-0.5 -0.882 3.6-156.5-106.1 135.2 -11.6 4.6 -53.9 72 76 A C E -AC 55 148A 0 -17,-1.8 -17,-1.9 -2,-0.4 2,-0.6 -0.968 8.6-167.1-117.7 116.4 -10.6 5.2 -57.5 73 77 A W E - C 0 147A 3 74,-3.1 74,-2.5 -2,-0.5 3,-0.1 -0.926 7.4-151.1-114.9 109.7 -12.6 3.3 -60.1 74 78 A G > - 0 0 6 -2,-0.6 3,-2.2 -24,-0.3 66,-0.2 -0.200 50.9 -64.3 -62.1 166.8 -11.3 3.1 -63.7 75 79 A E T 3 S+ 0 0 88 1,-0.3 -1,-0.2 68,-0.1 68,-0.2 -0.378 127.0 9.1 -52.6 127.5 -13.9 2.8 -66.5 76 80 A G T 3 S+ 0 0 56 64,-1.0 -1,-0.3 66,-0.8 2,-0.3 0.434 94.8 137.7 80.7 -2.7 -15.7 -0.5 -66.0 77 81 A H < + 0 0 24 -3,-2.2 63,-3.3 65,-0.1 2,-0.3 -0.577 23.1 159.5 -77.8 143.1 -14.2 -1.2 -62.6 78 82 A G B -G 139 0B 32 61,-0.3 -24,-0.3 -2,-0.3 61,-0.3 -0.943 30.8-112.5-152.4 175.6 -16.4 -2.6 -60.0 79 83 A S - 0 0 8 59,-2.8 2,-0.1 -2,-0.3 3,-0.0 -0.434 32.6 -97.9-100.9 174.8 -16.5 -4.5 -56.7 80 84 A S - 0 0 43 -2,-0.1 2,-0.6 1,-0.1 58,-0.4 -0.301 50.4 -88.8 -71.3 169.7 -17.7 -7.8 -55.6 81 85 A I E S+H 163 0B 1 82,-0.6 82,-2.7 56,-0.2 2,-0.3 -0.806 72.1 167.5 -74.8 124.8 -21.0 -8.3 -53.9 82 86 A H E -HI 162 136B 17 54,-2.6 54,-1.9 -2,-0.6 80,-0.2 -0.930 37.5-133.9-146.9 161.5 -19.9 -7.7 -50.4 83 87 A D - 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0 0 71 48,-0.2 2,-0.4 25,-0.2 45,-0.3 -0.973 34.5-162.1-138.4 147.5 -21.1 8.1 -61.0 98 102 A L E -J 121 0B 2 23,-2.1 23,-3.6 -2,-0.3 2,-0.5 -0.986 16.6-135.2-129.3 145.0 -21.3 4.7 -59.5 99 103 A K E -JK 120 139B 51 40,-3.2 40,-2.2 -2,-0.4 2,-0.5 -0.880 19.4-160.7 -94.1 125.8 -24.1 2.1 -59.8 100 104 A E E -JK 119 138B 3 19,-3.1 19,-2.4 -2,-0.5 2,-0.5 -0.941 4.1-167.1-106.8 126.3 -25.0 0.5 -56.5 101 105 A T E -JK 118 137B 7 36,-2.7 36,-1.8 -2,-0.5 2,-0.3 -0.963 10.4-147.2-113.5 126.0 -26.8 -2.8 -56.6 102 106 A L E -JK 117 136B 37 15,-2.4 14,-3.0 -2,-0.5 15,-0.9 -0.713 16.0-177.1 -94.2 141.8 -28.5 -4.1 -53.5 103 107 A F E -JK 115 135B 4 32,-2.5 32,-2.8 -2,-0.3 2,-0.1 -0.977 23.8-120.9-132.7 147.9 -28.8 -7.7 -52.6 104 108 A D - 0 0 112 10,-0.5 30,-0.1 -2,-0.3 29,-0.0 -0.491 44.1 -89.7 -78.7 157.9 -30.4 -9.6 -49.7 105 109 A W - 0 0 101 -2,-0.1 -1,-0.1 26,-0.1 -22,-0.0 -0.483 54.5-113.7 -60.0 135.3 -28.4 -11.8 -47.5 106 110 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.274 20.6-121.0 -69.8 161.1 -28.5 -15.3 -49.1 107 111 A D - 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