==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-SEP-05 2B5H . COMPND 2 MOLECULE: CYSTEINE DIOXYGENASE TYPE I; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.R.SIMMONS,Q.LIU,Q.HUANG,Q.HAO,T.P.BEGLEY,P.A.KARPLUS, . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 67.2 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 . 57 30.6 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 . 20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.5 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 4 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 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 0.000 360.0 360.0 360.0 112.8 -24.1 21.6 -34.5 2 6 A L - 0 0 70 3,-0.0 2,-0.3 0, 0.0 12,-0.0 -0.818 360.0-176.0 -95.1 118.0 -23.4 20.5 -38.0 3 7 A L - 0 0 104 -2,-0.6 32,-0.1 1,-0.0 11,-0.0 -0.730 37.3 -89.7-109.9 159.0 -21.7 23.1 -40.3 4 8 A K - 0 0 102 -2,-0.3 2,-0.3 1,-0.1 28,-0.1 -0.494 42.4-119.7 -68.1 127.5 -20.9 22.8 -43.9 5 9 A P - 0 0 2 0, 0.0 32,-0.5 0, 0.0 -1,-0.1 -0.546 21.2-160.4 -68.6 134.1 -17.4 21.4 -44.5 6 10 A R S S- 0 0 193 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.701 70.0 -1.5 -86.6 -24.8 -15.4 24.0 -46.4 7 11 A T S > S- 0 0 36 1,-0.1 4,-2.5 35,-0.0 5,-0.2 -0.924 83.5 -91.9-154.5 169.3 -12.7 21.6 -47.6 8 12 A L H > S+ 0 0 6 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.918 126.6 52.8 -59.1 -41.0 -11.7 18.0 -47.3 9 13 A A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 108.9 49.2 -62.7 -38.4 -9.5 18.8 -44.3 10 14 A D H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 109.3 52.5 -65.5 -42.5 -12.5 20.6 -42.7 11 15 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.904 108.4 51.2 -57.9 -44.2 -14.7 17.5 -43.4 12 16 A I H X S+ 0 0 22 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.918 109.6 49.5 -61.4 -45.7 -12.0 15.3 -41.7 13 17 A R H X S+ 0 0 108 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.934 111.6 49.1 -60.0 -41.6 -12.0 17.6 -38.6 14 18 A I H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.918 108.6 53.1 -65.2 -39.8 -15.8 17.5 -38.4 15 19 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.884 103.0 57.3 -63.9 -36.0 -15.8 13.7 -38.7 16 20 A H H < S+ 0 0 56 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.858 109.2 47.1 -63.3 -31.4 -13.3 13.4 -35.8 17 21 A E H >< S+ 0 0 112 -4,-1.3 3,-1.6 -3,-0.4 4,-0.3 0.918 110.4 51.1 -72.4 -42.8 -16.0 15.3 -33.8 18 22 A L H 3< S+ 0 0 36 -4,-2.4 7,-0.4 1,-0.3 3,-0.2 0.738 115.8 42.0 -67.2 -21.5 -18.9 13.1 -35.0 19 23 A F T 3< S+ 0 0 6 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.130 80.2 107.5-109.8 20.3 -17.0 9.9 -34.0 20 24 A A S < S+ 0 0 73 -3,-1.6 -1,-0.1 -5,-0.1 -2,-0.1 0.786 80.1 48.3 -66.7 -26.3 -15.6 11.2 -30.7 21 25 A G S S- 0 0 39 -4,-0.3 -3,-0.0 2,-0.3 0, 0.0 -0.080 98.7 -94.6-100.4-159.5 -18.0 9.0 -28.9 22 26 A D S S+ 0 0 147 -2,-0.1 2,-0.2 2,-0.0 -3,-0.1 0.550 96.6 54.0-102.0 -7.8 -19.0 5.4 -29.0 23 27 A E S S- 0 0 164 2,-0.0 2,-0.4 0, 0.0 -2,-0.3 -0.630 73.4-127.9-117.3 179.0 -22.0 5.5 -31.2 24 28 A V - 0 0 29 -2,-0.2 2,-1.2 -5,-0.0 3,-0.1 -0.989 2.1-148.4-135.5 123.2 -22.7 6.9 -34.7 25 29 A N > - 0 0 69 -2,-0.4 4,-2.4 -7,-0.4 5,-0.2 -0.793 20.5-169.3 -90.6 98.7 -25.5 9.3 -35.8 26 30 A V H > S+ 0 0 20 -2,-1.2 4,-2.7 1,-0.2 5,-0.2 0.874 79.3 51.2 -58.9 -43.6 -25.8 8.0 -39.3 27 31 A E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 111.7 47.7 -68.6 -33.7 -28.0 10.7 -40.6 28 32 A E H > S+ 0 0 77 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.903 112.7 48.6 -71.1 -42.6 -25.7 13.5 -39.4 29 33 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.948 113.6 47.2 -62.8 -43.5 -22.6 11.7 -40.8 30 34 A Q H X S+ 0 0 56 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.923 110.6 52.4 -64.7 -40.0 -24.3 11.3 -44.1 31 35 A A H X S+ 0 0 50 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.900 110.7 46.3 -63.7 -40.5 -25.5 14.9 -44.2 32 36 A V H X S+ 0 0 5 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.894 112.3 50.6 -70.7 -36.2 -22.0 16.3 -43.6 33 37 A L H >< S+ 0 0 1 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.944 112.2 47.6 -65.0 -43.7 -20.5 14.0 -46.2 34 38 A E H 3< S+ 0 0 95 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 107.4 57.4 -62.2 -36.7 -23.1 15.1 -48.7 35 39 A A H 3< S+ 0 0 36 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.2 0.725 82.2 95.6 -69.4 -25.5 -22.6 18.8 -47.8 36 40 A Y S << S- 0 0 2 -4,-1.2 2,-0.8 -3,-0.6 -30,-0.1 -0.584 74.9-140.5 -67.3 119.7 -18.8 18.7 -48.7 37 41 A E - 0 0 133 -2,-0.5 -29,-0.1 -32,-0.5 -2,-0.1 -0.732 26.2-111.7 -84.7 114.0 -18.6 19.9 -52.3 38 42 A S - 0 0 17 -2,-0.8 3,-0.1 55,-0.2 -1,-0.1 -0.172 33.8-172.5 -49.5 127.8 -16.0 17.8 -54.0 39 43 A N >> - 0 0 66 1,-0.1 3,-1.8 0, 0.0 4,-0.7 -0.926 12.8-155.4-125.0 103.4 -12.9 19.8 -54.9 40 44 A P H >> S+ 0 0 71 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.811 90.6 60.0 -49.8 -37.4 -10.6 17.7 -57.1 41 45 A A H 34 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.2 3,-0.1 0.825 100.1 57.4 -61.0 -31.2 -7.5 19.6 -56.1 42 46 A E H <4 S+ 0 0 56 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 0.733 118.3 29.3 -72.7 -22.6 -8.1 18.7 -52.4 43 47 A W H XX S+ 0 0 8 -3,-0.8 3,-1.5 -4,-0.7 4,-0.9 0.373 83.4 105.6-122.0 6.4 -8.0 15.0 -53.1 44 48 A A G >< S+ 0 0 61 -4,-1.1 3,-0.9 1,-0.3 -2,-0.1 0.857 76.1 64.3 -51.4 -38.7 -5.7 14.6 -56.1 45 49 A L G 34 S+ 0 0 98 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.813 108.2 40.0 -54.7 -33.3 -3.0 13.2 -53.8 46 50 A Y G <4 S+ 0 0 42 -3,-1.5 2,-2.0 1,-0.1 -1,-0.2 0.574 88.0 96.0 -96.5 -8.7 -5.2 10.2 -53.0 47 51 A A << + 0 0 23 -4,-0.9 2,-0.7 -3,-0.9 -1,-0.1 -0.479 47.8 157.1 -89.6 71.8 -6.6 9.5 -56.5 48 52 A K - 0 0 54 -2,-2.0 24,-0.2 22,-0.2 2,-0.2 -0.868 23.7-160.3-100.7 111.7 -4.2 6.9 -57.6 49 53 A F - 0 0 83 -2,-0.7 2,-0.4 22,-0.1 5,-0.1 -0.533 10.7-152.1 -92.8 157.2 -5.6 4.7 -60.3 50 54 A D - 0 0 55 3,-0.6 24,-0.3 22,-0.3 5,-0.1 -0.964 19.6-132.6-120.5 143.3 -4.7 1.2 -61.5 51 55 A Q S S+ 0 0 152 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.828 99.1 39.8 -66.8 -27.5 -5.4 0.2 -65.0 52 56 A Y S S+ 0 0 182 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.683 121.0 2.6-100.2 -22.8 -6.9 -3.2 -64.2 53 57 A R S S- 0 0 123 24,-0.1 -3,-0.6 -3,-0.1 -1,-0.2 -0.980 81.9 -78.0-156.9 168.2 -9.0 -2.7 -61.1 54 58 A Y - 0 0 34 -2,-0.3 2,-0.3 24,-0.3 19,-0.2 -0.346 44.9-140.1 -71.8 153.8 -10.3 -0.2 -58.7 55 59 A T E -A 72 0A 5 17,-1.8 17,-1.8 -5,-0.1 2,-0.5 -0.861 5.0-141.5-118.8 153.0 -8.0 1.0 -55.9 56 60 A R E -A 71 0A 11 -2,-0.3 122,-2.6 120,-0.3 123,-1.1 -0.964 19.1-172.5-114.3 121.0 -8.4 1.8 -52.2 57 61 A N E -Ab 70 179A 0 13,-2.5 13,-2.9 -2,-0.5 123,-0.2 -0.928 18.7-135.6-123.8 110.1 -6.5 4.8 -51.0 58 62 A L E +Ab 69 180A 0 121,-2.4 123,-2.4 -2,-0.6 124,-0.5 -0.428 28.0 169.3 -72.6 130.9 -6.4 5.5 -47.2 59 63 A V E + 0 0 6 9,-3.1 2,-0.3 1,-0.4 10,-0.2 0.767 63.9 1.0-105.5 -46.6 -7.0 9.2 -46.3 60 64 A D E -A 68 0A 31 8,-1.9 8,-2.7 1,-0.0 -1,-0.4 -0.994 47.9-148.5-148.8 144.6 -7.5 9.2 -42.5 61 65 A Q > > - 0 0 95 -2,-0.3 3,-2.3 6,-0.2 5,-0.5 0.309 35.6-132.6 -99.3 11.0 -7.6 6.6 -39.8 62 66 A G G > 5 - 0 0 3 1,-0.3 3,-2.4 2,-0.2 4,-0.1 0.687 57.5 -71.8 50.9 32.6 -10.2 8.4 -37.6 63 67 A N G 3 5S- 0 0 137 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.844 97.8 -55.0 51.7 34.4 -8.2 8.0 -34.4 64 68 A G G < 5S+ 0 0 56 -3,-2.3 -1,-0.3 2,-0.4 -2,-0.2 0.312 126.8 96.7 84.7 -7.8 -9.2 4.4 -34.7 65 69 A K T < 5S- 0 0 66 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.755 94.5 -3.8 -85.3 -26.3 -13.0 5.0 -35.0 66 70 A F < - 0 0 0 -5,-0.5 2,-0.5 89,-0.2 -2,-0.4 -0.974 59.9-126.2-160.2 158.5 -13.3 4.8 -38.8 67 71 A N E - C 0 153A 10 86,-2.1 86,-2.2 -2,-0.3 2,-0.5 -0.983 22.2-162.2-110.6 132.2 -11.2 4.5 -41.9 68 72 A L E +AC 60 152A 0 -8,-2.7 -9,-3.1 -2,-0.5 -8,-1.9 -0.973 23.2 163.2-114.0 124.5 -11.8 7.2 -44.5 69 73 A M E -AC 58 151A 0 82,-2.9 82,-3.3 -2,-0.5 2,-0.5 -0.953 35.9-128.5-144.4 159.9 -10.5 6.3 -48.0 70 74 A I E -AC 57 150A 0 -13,-2.9 -13,-2.5 -2,-0.3 2,-0.4 -0.953 19.8-155.8-111.6 128.2 -10.8 7.2 -51.6 71 75 A L E -AC 56 149A 8 78,-2.9 78,-2.5 -2,-0.5 2,-0.5 -0.892 4.0-155.8-106.3 135.0 -11.7 4.6 -54.2 72 76 A C E -AC 55 148A 0 -17,-1.8 -17,-1.8 -2,-0.4 2,-0.6 -0.958 8.2-167.4-116.4 116.2 -10.6 5.1 -57.9 73 77 A W E - C 0 147A 4 74,-3.0 74,-2.4 -2,-0.5 3,-0.1 -0.918 7.2-152.1-112.0 110.4 -12.6 3.2 -60.5 74 78 A G > - 0 0 5 -2,-0.6 3,-2.4 -24,-0.3 66,-0.2 -0.222 51.5 -62.5 -66.8 169.8 -11.3 3.0 -64.0 75 79 A E T 3 S+ 0 0 93 1,-0.3 -1,-0.2 68,-0.1 68,-0.2 -0.374 127.1 7.3 -55.1 125.2 -13.8 2.7 -66.8 76 80 A G T 3 S+ 0 0 57 64,-1.0 -1,-0.3 66,-0.8 2,-0.2 0.463 94.4 138.7 80.4 1.0 -15.7 -0.6 -66.3 77 81 A H < + 0 0 24 -3,-2.4 63,-3.3 65,-0.1 2,-0.3 -0.584 23.1 159.7 -79.8 143.1 -14.2 -1.3 -63.0 78 82 A G B -G 139 0B 33 61,-0.3 -24,-0.3 -2,-0.2 61,-0.3 -0.960 31.2-111.0-154.1 172.9 -16.5 -2.7 -60.3 79 83 A S - 0 0 8 59,-3.0 2,-0.1 -2,-0.3 3,-0.0 -0.427 31.7-101.6-100.3 174.6 -16.6 -4.6 -57.0 80 84 A S - 0 0 46 -2,-0.1 2,-0.5 1,-0.1 58,-0.4 -0.318 51.7 -87.3 -79.7 170.8 -17.8 -8.0 -56.0 81 85 A I E S+H 163 0B 0 82,-0.6 82,-2.4 56,-0.1 2,-0.3 -0.785 71.5 168.7 -78.9 130.3 -21.2 -8.4 -54.2 82 86 A H E -HI 162 136B 23 54,-2.5 54,-1.9 -2,-0.5 80,-0.2 -0.944 38.0-135.2-148.7 164.1 -20.1 -7.8 -50.6 83 87 A D - 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0 0 71 48,-0.3 2,-0.4 25,-0.1 45,-0.3 -0.964 34.5-160.7-140.3 150.6 -21.1 8.0 -61.4 98 102 A L E -J 121 0B 2 23,-2.0 23,-3.6 -2,-0.3 2,-0.5 -0.991 16.4-133.8-133.1 144.0 -21.4 4.6 -59.9 99 103 A K E -JK 120 139B 47 40,-3.1 40,-2.2 -2,-0.4 2,-0.5 -0.843 19.5-161.3 -94.7 126.9 -24.1 2.0 -60.2 100 104 A E E -JK 119 138B 1 19,-3.1 19,-2.3 -2,-0.5 2,-0.5 -0.939 4.2-167.7-109.3 124.0 -25.1 0.4 -56.8 101 105 A T E -JK 118 137B 2 36,-2.5 36,-2.0 -2,-0.5 2,-0.3 -0.960 10.6-147.6-113.3 127.4 -26.9 -2.9 -57.0 102 106 A L E -JK 117 136B 33 15,-2.5 14,-3.1 -2,-0.5 15,-1.0 -0.747 16.3-178.3 -99.0 141.0 -28.6 -4.2 -53.8 103 107 A F E - K 0 135B 0 32,-2.4 32,-2.9 -2,-0.3 2,-0.2 -0.967 24.2-121.7-134.5 146.7 -28.9 -7.8 -52.9 104 108 A D - 0 0 97 10,-0.5 30,-0.1 -2,-0.3 29,-0.0 -0.521 44.5 -88.4 -80.9 159.4 -30.5 -9.6 -49.9 105 109 A W - 0 0 103 -2,-0.2 -1,-0.1 26,-0.1 -22,-0.0 -0.450 54.1-117.2 -61.5 134.1 -28.4 -11.9 -47.7 106 110 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.229 18.9-119.3 -72.3 165.1 -28.6 -15.4 -49.3 107 111 A D - 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