==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-SEP-08 3ELN . COMPND 2 MOLECULE: CYSTEINE DIOXYGENASE TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.R.SIMMONS,M.H.STIPANUK,P.A.KARPLUS . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 65.4 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 31.4 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 . 17 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 11.7 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 4 A T 0 0 133 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 146.6 -23.9 19.5 -33.4 2 5 A E - 0 0 156 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.499 360.0-154.6 -65.2 144.7 -24.0 22.1 -34.4 3 6 A L - 0 0 61 -2,-0.2 2,-0.3 3,-0.0 12,-0.0 -0.843 16.4-172.8 -88.2 119.2 -23.3 20.5 -37.7 4 7 A L - 0 0 99 -2,-0.7 32,-0.1 1,-0.0 11,-0.0 -0.768 32.9 -91.3-112.7 157.1 -21.6 23.1 -39.9 5 8 A K - 0 0 108 -2,-0.3 2,-0.3 1,-0.1 28,-0.1 -0.515 42.2-120.0 -67.6 127.0 -20.8 22.8 -43.6 6 9 A P - 0 0 1 0, 0.0 32,-0.5 0, 0.0 -1,-0.1 -0.543 20.4-161.2 -68.6 131.3 -17.3 21.5 -44.2 7 10 A R S S- 0 0 181 -2,-0.3 2,-0.3 30,-0.1 3,-0.0 0.723 70.1 -0.6 -83.0 -27.8 -15.3 24.1 -46.0 8 11 A T S > S- 0 0 28 1,-0.1 4,-2.5 35,-0.0 5,-0.2 -0.915 81.5 -94.2-152.0 168.9 -12.6 21.8 -47.2 9 12 A L H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.915 126.2 53.6 -59.7 -42.1 -11.6 18.1 -47.0 10 13 A A H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 108.9 48.5 -60.3 -40.8 -9.4 19.0 -44.0 11 14 A D H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 108.9 53.5 -66.2 -41.4 -12.3 20.7 -42.3 12 15 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.916 107.2 51.7 -56.8 -46.3 -14.5 17.6 -43.0 13 16 A I H X S+ 0 0 25 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.919 109.2 50.0 -58.4 -45.3 -11.9 15.4 -41.4 14 17 A R H X S+ 0 0 104 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.932 111.3 48.5 -58.7 -46.3 -11.9 17.6 -38.3 15 18 A I H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.923 108.9 54.0 -63.2 -40.6 -15.7 17.5 -38.1 16 19 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.888 102.8 56.4 -60.9 -41.2 -15.7 13.7 -38.4 17 20 A H H < S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.2 47.6 -58.3 -36.5 -13.3 13.4 -35.5 18 21 A E H >< S+ 0 0 113 -4,-1.4 3,-1.4 -3,-0.3 4,-0.3 0.925 110.8 49.8 -66.9 -45.0 -15.9 15.3 -33.4 19 22 A L H 3< S+ 0 0 31 -4,-2.4 7,-0.3 1,-0.3 3,-0.2 0.714 115.9 43.4 -69.3 -23.3 -18.8 13.1 -34.6 20 23 A F T 3< S+ 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.167 80.7 105.8-105.6 14.7 -16.9 9.9 -33.8 21 24 A A S < S+ 0 0 73 -3,-1.4 -1,-0.1 -5,-0.1 -2,-0.1 0.805 79.3 51.1 -62.8 -28.7 -15.5 11.1 -30.4 22 25 A G S S- 0 0 40 -4,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.039 98.5 -96.5 -99.7-165.7 -18.0 8.9 -28.6 23 26 A D S S+ 0 0 150 -2,-0.0 2,-0.2 2,-0.0 -3,-0.0 0.525 97.3 55.6 -98.9 -9.0 -18.9 5.2 -28.8 24 27 A E S S- 0 0 163 2,-0.0 2,-0.4 0, 0.0 -2,-0.2 -0.607 72.8-128.6-117.8 177.3 -22.0 5.4 -31.1 25 28 A V - 0 0 29 -2,-0.2 2,-1.1 130,-0.0 3,-0.1 -0.992 2.6-149.7-136.5 121.6 -22.7 6.9 -34.5 26 29 A N > - 0 0 70 -2,-0.4 4,-2.3 -7,-0.3 5,-0.2 -0.815 20.4-169.9 -89.0 96.1 -25.4 9.2 -35.6 27 30 A V H > S+ 0 0 20 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.882 79.4 51.3 -60.7 -42.5 -25.7 7.9 -39.1 28 31 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 111.7 47.5 -65.9 -36.7 -28.0 10.7 -40.4 29 32 A E H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 112.7 48.4 -68.4 -44.0 -25.7 13.4 -39.1 30 33 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.953 113.0 48.3 -63.5 -44.3 -22.6 11.7 -40.6 31 34 A Q H X S+ 0 0 57 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.901 110.3 52.1 -60.9 -42.1 -24.3 11.3 -43.9 32 35 A A H X S+ 0 0 50 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.900 110.4 46.6 -65.3 -39.8 -25.4 14.9 -43.9 33 36 A V H X S+ 0 0 5 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.908 112.3 50.6 -71.8 -35.9 -22.0 16.3 -43.3 34 37 A L H >< S+ 0 0 1 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.928 112.0 47.9 -62.7 -46.0 -20.4 14.1 -45.9 35 38 A E H 3< S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.878 106.9 58.0 -60.7 -39.1 -23.1 15.2 -48.4 36 39 A A H 3< S+ 0 0 35 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.703 82.5 94.7 -70.3 -22.1 -22.5 18.9 -47.5 37 40 A Y S << S- 0 0 2 -4,-1.1 2,-0.7 -3,-0.6 -30,-0.1 -0.638 74.1-141.9 -71.1 119.3 -18.8 18.8 -48.4 38 41 A E - 0 0 129 -2,-0.5 -29,-0.1 -32,-0.5 -2,-0.1 -0.739 26.3-112.7 -87.8 112.7 -18.6 20.0 -52.0 39 42 A S - 0 0 24 -2,-0.7 -1,-0.1 55,-0.2 3,-0.1 -0.188 33.3-172.8 -50.9 129.6 -15.9 17.9 -53.7 40 43 A N >> - 0 0 70 1,-0.1 3,-1.8 0, 0.0 4,-0.7 -0.948 13.9-153.9-125.6 102.2 -12.8 19.9 -54.6 41 44 A P H >> S+ 0 0 69 0, 0.0 4,-1.3 0, 0.0 3,-0.9 0.784 90.4 61.2 -49.4 -35.4 -10.5 17.9 -56.7 42 45 A A H 34 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.2 3,-0.1 0.832 100.3 56.1 -62.3 -31.0 -7.4 19.8 -55.7 43 46 A E H <4 S+ 0 0 59 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 0.727 118.8 29.6 -74.7 -22.4 -7.9 18.8 -52.1 44 47 A W H XX S+ 0 0 8 -3,-0.9 3,-1.5 -4,-0.7 4,-0.8 0.397 83.6 104.7-121.6 4.0 -7.9 15.1 -52.8 45 48 A A G >< S+ 0 0 61 -4,-1.3 3,-1.0 1,-0.3 -2,-0.1 0.843 75.7 65.2 -51.0 -40.1 -5.7 14.7 -55.8 46 49 A L G 34 S+ 0 0 97 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.821 108.0 40.0 -52.6 -33.0 -2.9 13.3 -53.5 47 50 A Y G <4 S+ 0 0 41 -3,-1.5 2,-2.0 1,-0.1 -1,-0.3 0.552 87.8 96.2 -95.1 -12.1 -5.1 10.3 -52.8 48 51 A A << + 0 0 24 -3,-1.0 2,-0.7 -4,-0.8 -1,-0.1 -0.479 47.5 156.1 -88.1 69.9 -6.5 9.6 -56.2 49 52 A K - 0 0 56 -2,-2.0 24,-0.2 22,-0.2 2,-0.2 -0.878 24.3-159.9-102.8 114.1 -4.1 7.0 -57.3 50 53 A F - 0 0 82 -2,-0.7 2,-0.3 22,-0.1 5,-0.1 -0.534 9.7-151.3 -93.7 157.3 -5.6 4.7 -60.0 51 54 A D - 0 0 54 3,-0.5 24,-0.3 22,-0.3 5,-0.1 -0.953 19.7-130.9-121.4 148.6 -4.6 1.2 -61.2 52 55 A Q S S+ 0 0 152 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.841 100.3 37.6 -67.1 -28.5 -5.3 0.1 -64.7 53 56 A Y S S+ 0 0 175 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.664 120.4 2.9-106.7 -23.5 -6.9 -3.2 -63.8 54 57 A R S S- 0 0 120 24,-0.1 -3,-0.5 19,-0.1 -1,-0.2 -0.977 81.8 -76.0-157.2 169.0 -9.1 -2.7 -60.7 55 58 A Y - 0 0 22 -2,-0.3 2,-0.3 24,-0.3 19,-0.2 -0.394 46.1-139.5 -71.5 150.6 -10.3 -0.1 -58.3 56 59 A T E -A 73 0A 5 17,-1.9 17,-1.8 -2,-0.1 2,-0.5 -0.794 4.1-142.9-115.5 151.9 -7.9 1.1 -55.6 57 60 A R E -A 72 0A 7 -2,-0.3 122,-2.5 15,-0.2 123,-1.1 -0.977 17.8-172.5-116.8 121.7 -8.4 1.9 -51.9 58 61 A N E -Ab 71 180A 0 13,-2.4 13,-2.7 -2,-0.5 2,-0.2 -0.938 19.1-134.9-125.3 109.4 -6.4 4.9 -50.6 59 62 A L E +Ab 70 181A 0 121,-2.7 123,-2.3 -2,-0.5 124,-0.6 -0.469 28.3 168.9 -72.5 132.1 -6.3 5.6 -46.9 60 63 A V E + 0 0 7 9,-3.1 2,-0.3 1,-0.4 10,-0.2 0.768 64.9 1.5-107.4 -44.0 -6.8 9.3 -46.0 61 64 A D E -A 69 0A 33 8,-1.9 8,-2.7 1,-0.0 -1,-0.4 -0.994 47.4-148.2-152.0 142.7 -7.4 9.2 -42.2 62 65 A Q > > - 0 0 96 -2,-0.3 3,-2.2 6,-0.2 5,-0.6 0.357 36.7-133.0 -97.3 7.3 -7.4 6.6 -39.4 63 66 A G G > 5 - 0 0 3 1,-0.3 3,-2.0 2,-0.2 5,-0.1 0.692 57.3 -71.6 56.8 24.5 -10.0 8.4 -37.3 64 67 A N G 3 5S- 0 0 140 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.868 97.1 -56.3 55.9 31.9 -8.1 8.0 -34.1 65 68 A G G < 5S+ 0 0 56 -3,-2.2 -1,-0.3 2,-0.4 -2,-0.2 0.241 127.2 95.5 90.7 -7.8 -9.1 4.4 -34.4 66 69 A K T < 5S- 0 0 65 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.725 95.2 -3.4 -82.7 -26.6 -12.8 4.9 -34.6 67 70 A F < - 0 0 0 -5,-0.6 2,-0.5 89,-0.2 -2,-0.4 -0.986 59.4-127.0-157.3 159.9 -13.1 4.9 -38.3 68 71 A N E - C 0 154A 19 86,-2.1 86,-2.3 -2,-0.3 2,-0.5 -0.991 19.2-162.8-116.4 135.2 -11.2 4.7 -41.5 69 72 A L E +AC 61 153A 0 -8,-2.7 -9,-3.1 -2,-0.5 -8,-1.9 -0.966 22.7 163.0-113.9 127.6 -11.7 7.3 -44.2 70 73 A M E -AC 59 152A 2 82,-2.7 82,-3.2 -2,-0.5 2,-0.5 -0.956 35.0-127.7-146.3 160.3 -10.4 6.4 -47.7 71 74 A I E -AC 58 151A 0 -13,-2.7 -13,-2.4 -2,-0.3 2,-0.4 -0.951 20.3-156.5-113.7 127.3 -10.7 7.3 -51.3 72 75 A L E -AC 57 150A 0 78,-2.8 78,-2.4 -2,-0.5 2,-0.5 -0.895 2.9-156.2-106.9 134.8 -11.6 4.7 -53.9 73 76 A C E -AC 56 149A 0 -17,-1.8 -17,-1.9 -2,-0.4 2,-0.6 -0.957 7.4-167.7-119.2 118.0 -10.6 5.2 -57.5 74 77 A W E - C 0 148A 0 74,-3.0 74,-2.6 -2,-0.5 3,-0.1 -0.913 7.4-152.6-114.5 110.2 -12.6 3.3 -60.1 75 78 A G > - 0 0 6 -2,-0.6 3,-2.3 -24,-0.3 66,-0.2 -0.195 50.8 -61.6 -66.4 169.5 -11.3 3.1 -63.7 76 79 A E T 3 S+ 0 0 93 1,-0.3 -1,-0.2 68,-0.1 68,-0.2 -0.364 127.1 6.8 -54.0 125.5 -13.8 2.7 -66.5 77 80 A G T 3 S+ 0 0 57 64,-1.0 2,-0.3 66,-0.9 -1,-0.3 0.445 94.3 140.3 78.7 -0.8 -15.6 -0.5 -66.1 78 81 A H < + 0 0 24 -3,-2.3 63,-3.1 65,-0.2 2,-0.3 -0.608 21.7 157.7 -79.6 137.7 -14.2 -1.3 -62.6 79 82 A G B -G 140 0B 34 -2,-0.3 -24,-0.3 61,-0.3 61,-0.3 -0.916 31.6-110.9-149.2 173.4 -16.4 -2.7 -60.0 80 83 A S - 0 0 9 59,-2.8 2,-0.1 -2,-0.3 3,-0.0 -0.471 31.1-100.7 -96.7 173.8 -16.6 -4.7 -56.8 81 84 A S - 0 0 44 -2,-0.2 2,-0.5 1,-0.1 58,-0.4 -0.307 52.4 -87.2 -71.5 169.3 -17.8 -8.1 -55.8 82 85 A I E S+H 164 0B 1 82,-0.6 82,-2.6 56,-0.1 2,-0.3 -0.779 73.6 165.3 -76.4 126.5 -21.1 -8.5 -54.1 83 86 A H E -HI 163 137B 3 54,-2.5 54,-2.0 -2,-0.5 80,-0.2 -0.944 38.6-131.0-149.7 162.6 -20.0 -8.0 -50.5 84 87 A D - 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0 0 69 48,-0.2 2,-0.4 25,-0.2 45,-0.3 -0.974 33.7-160.6-140.8 147.6 -21.1 8.1 -61.1 99 102 A L E -J 122 0B 2 23,-2.0 23,-3.3 -2,-0.3 2,-0.5 -0.990 15.7-134.9-130.3 143.9 -21.3 4.6 -59.6 100 103 A K E -JK 121 140B 46 40,-3.2 40,-2.0 -2,-0.4 2,-0.5 -0.848 19.2-162.2 -96.0 126.8 -24.1 2.0 -59.9 101 104 A E E -JK 120 139B 2 19,-2.8 19,-2.3 -2,-0.5 2,-0.5 -0.956 3.7-168.5-110.3 124.7 -25.1 0.4 -56.6 102 105 A T E -JK 119 138B 2 36,-2.4 36,-2.0 -2,-0.5 2,-0.4 -0.955 11.5-146.7-114.7 126.4 -26.9 -2.9 -56.8 103 106 A L E -JK 118 137B 27 15,-2.6 14,-3.1 -2,-0.5 15,-1.0 -0.774 16.2-176.7 -95.8 142.6 -28.5 -4.3 -53.6 104 107 A F E -JK 116 136B 2 32,-2.5 32,-2.8 -2,-0.4 2,-0.2 -0.959 23.7-119.6-133.9 148.0 -28.9 -7.9 -52.7 105 108 A D - 0 0 94 10,-0.5 30,-0.1 -2,-0.3 29,-0.0 -0.500 43.4 -90.3 -76.9 156.1 -30.4 -9.8 -49.8 106 109 A W - 0 0 101 -2,-0.2 -1,-0.1 26,-0.1 26,-0.0 -0.444 53.3-113.9 -57.7 134.4 -28.4 -12.1 -47.6 107 110 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.274 21.6-119.3 -70.5 160.4 -28.5 -15.6 -49.1 108 111 A D - 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