==== 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 4JTO . COMPND 2 MOLECULE: CYSTEINE DIOXYGENASE TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.M.DRIGGERS,P.A.KARPLUS . 187 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 64.7 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 31.6 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 . 18 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.4 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 . 0 0.0 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 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 0 215 0, 0.0 2,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.7 -22.8 22.6 -34.5 2 6 A L + 0 0 77 2,-0.0 2,-0.3 29,-0.0 12,-0.0 -0.722 360.0 175.0 -76.3 99.3 -23.5 20.6 -37.7 3 7 A L - 0 0 112 -2,-1.3 32,-0.1 1,-0.0 11,-0.0 -0.759 37.8 -97.0-108.5 155.0 -21.7 23.0 -40.0 4 8 A K - 0 0 117 -2,-0.3 2,-0.2 1,-0.1 28,-0.1 -0.562 41.1-120.8 -68.7 122.4 -21.0 22.8 -43.7 5 9 A P - 0 0 1 0, 0.0 32,-0.5 0, 0.0 3,-0.1 -0.498 20.0-163.5 -60.9 129.9 -17.4 21.5 -44.3 6 10 A R S S+ 0 0 183 -2,-0.2 2,-0.3 1,-0.2 3,-0.1 0.676 70.7 4.4 -87.9 -22.2 -15.5 24.1 -46.3 7 11 A T S > S- 0 0 45 1,-0.1 4,-3.1 35,-0.0 5,-0.2 -0.955 79.9 -98.3-154.4 166.5 -12.7 21.7 -47.3 8 12 A L H > S+ 0 0 7 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 125.4 52.5 -59.0 -41.7 -11.7 18.1 -47.0 9 13 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 110.6 48.1 -59.6 -43.8 -9.5 19.0 -44.1 10 14 A D H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.933 109.7 51.6 -63.7 -47.2 -12.5 20.7 -42.5 11 15 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.895 108.2 53.2 -53.3 -42.8 -14.7 17.7 -43.1 12 16 A I H X S+ 0 0 25 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.903 108.2 49.6 -65.2 -38.9 -12.1 15.4 -41.5 13 17 A R H X S+ 0 0 94 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.939 110.8 49.9 -62.8 -43.7 -12.1 17.6 -38.4 14 18 A I H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.923 108.0 53.8 -64.3 -37.2 -15.8 17.5 -38.2 15 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.909 101.8 58.3 -65.0 -35.9 -15.8 13.7 -38.6 16 20 A H H < S+ 0 0 62 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.890 109.3 45.7 -63.2 -31.6 -13.4 13.5 -35.6 17 21 A E H >< S+ 0 0 102 -4,-1.5 3,-1.7 -3,-0.4 4,-0.3 0.894 108.9 54.0 -72.6 -42.5 -16.1 15.3 -33.6 18 22 A L H 3< S+ 0 0 34 -4,-2.2 7,-0.3 1,-0.3 3,-0.3 0.793 114.0 42.7 -66.6 -27.1 -19.0 13.2 -34.8 19 23 A F T 3< S+ 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.111 80.7 105.9-104.4 19.4 -17.1 10.0 -33.8 20 24 A A S < S+ 0 0 69 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 0.838 78.6 57.2 -61.0 -31.9 -15.9 11.5 -30.5 21 25 A G S S- 0 0 39 -3,-0.3 44,-0.0 -4,-0.3 -3,-0.0 -0.005 97.0-102.7 -89.9-167.6 -18.5 9.2 -28.7 22 26 A D S S+ 0 0 145 2,-0.0 2,-0.2 -2,-0.0 -3,-0.1 0.510 99.1 54.6 -96.2 -11.3 -19.2 5.5 -28.7 23 27 A E S S- 0 0 165 -5,-0.1 2,-0.4 2,-0.0 -2,-0.3 -0.624 75.1-128.0-118.3-178.8 -22.2 5.7 -31.0 24 28 A V - 0 0 29 -2,-0.2 2,-1.1 -5,-0.0 3,-0.1 -0.987 3.3-148.4-137.9 120.3 -22.8 7.0 -34.5 25 29 A N > - 0 0 72 -2,-0.4 4,-2.2 -7,-0.3 3,-0.3 -0.782 19.9-169.1 -87.3 99.8 -25.5 9.4 -35.7 26 30 A V H > S+ 0 0 22 -2,-1.1 4,-2.6 1,-0.3 5,-0.2 0.890 80.2 50.9 -65.1 -41.2 -25.8 8.0 -39.1 27 31 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.844 111.2 48.0 -65.7 -34.7 -28.0 10.8 -40.5 28 32 A E H > S+ 0 0 72 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.861 111.9 49.1 -74.8 -37.7 -25.7 13.5 -39.2 29 33 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.924 114.4 45.6 -64.3 -44.7 -22.6 11.8 -40.7 30 34 A Q H X S+ 0 0 54 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.888 111.7 53.1 -63.9 -40.6 -24.4 11.4 -44.0 31 35 A A H X S+ 0 0 50 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.948 111.3 45.3 -59.4 -46.0 -25.6 14.9 -43.9 32 36 A V H X S+ 0 0 5 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.908 112.2 51.5 -69.3 -39.0 -22.1 16.3 -43.3 33 37 A L H < S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.934 111.3 47.2 -60.4 -43.0 -20.6 14.1 -46.0 34 38 A E H < S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 106.2 59.0 -70.5 -31.8 -23.1 15.2 -48.5 35 39 A A H < S+ 0 0 36 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 0.771 82.2 93.9 -72.5 -25.4 -22.6 18.9 -47.7 36 40 A Y S < S- 0 0 1 -4,-1.3 2,-0.7 -3,-0.5 -30,-0.1 -0.533 76.0-139.1 -65.5 124.0 -18.9 18.8 -48.5 37 41 A E - 0 0 131 -32,-0.5 -29,-0.1 -2,-0.4 -2,-0.1 -0.793 25.8-111.4 -90.2 117.5 -18.6 20.0 -52.1 38 42 A S - 0 0 24 -2,-0.7 -1,-0.1 55,-0.2 56,-0.0 -0.231 34.1-173.5 -52.0 125.7 -16.0 17.9 -53.8 39 43 A N >> - 0 0 68 1,-0.1 3,-1.7 0, 0.0 4,-0.7 -0.936 13.1-155.3-125.0 103.6 -12.9 19.9 -54.7 40 44 A P H >> S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.771 89.4 61.2 -50.9 -35.0 -10.5 17.8 -56.8 41 45 A A H 34 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.826 101.0 54.1 -64.9 -29.4 -7.4 19.7 -55.8 42 46 A E H <4 S+ 0 0 56 -3,-1.7 -1,-0.2 1,-0.2 4,-0.1 0.663 120.0 31.1 -81.6 -18.4 -7.9 18.8 -52.1 43 47 A W H XX S+ 0 0 6 -3,-0.8 3,-1.9 -4,-0.7 4,-1.1 0.473 84.8 102.9-120.1 -1.4 -8.0 15.1 -52.9 44 48 A A G >< S+ 0 0 61 -4,-1.8 3,-0.8 1,-0.3 -2,-0.1 0.859 77.3 64.3 -41.7 -44.2 -5.7 14.7 -55.9 45 49 A L G 34 S+ 0 0 92 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.853 108.1 39.7 -54.4 -34.0 -3.1 13.4 -53.6 46 50 A Y G <4 S+ 0 0 41 -3,-1.9 2,-2.3 1,-0.1 -1,-0.2 0.646 88.4 96.2 -92.2 -12.6 -5.3 10.3 -52.8 47 51 A A << + 0 0 24 -4,-1.1 2,-0.7 -3,-0.8 -1,-0.1 -0.441 47.5 155.4 -84.9 68.6 -6.6 9.7 -56.3 48 52 A K - 0 0 59 -2,-2.3 24,-0.2 22,-0.2 2,-0.2 -0.888 26.0-158.5-102.1 110.9 -4.1 7.1 -57.4 49 53 A F - 0 0 81 -2,-0.7 2,-0.4 22,-0.1 5,-0.1 -0.508 11.2-152.1 -89.3 153.7 -5.6 4.8 -60.1 50 54 A D - 0 0 50 3,-0.5 24,-0.3 22,-0.3 5,-0.1 -0.966 18.6-134.3-120.5 142.3 -4.7 1.3 -61.2 51 55 A Q S S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.808 98.9 40.6 -63.1 -29.4 -5.4 0.3 -64.8 52 56 A Y S S- 0 0 175 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.711 120.8 -2.7-102.5 -22.1 -7.0 -3.1 -63.9 53 57 A R S S- 0 0 118 24,-0.1 -3,-0.5 -3,-0.1 -1,-0.2 -0.975 82.1 -72.1-158.7 172.7 -9.2 -2.6 -60.9 54 58 A Y - 0 0 21 24,-0.3 2,-0.3 -2,-0.3 19,-0.2 -0.425 45.1-144.6 -75.4 148.0 -10.4 -0.0 -58.3 55 59 A T E -A 72 0A 6 17,-1.6 17,-2.1 -2,-0.1 2,-0.5 -0.821 3.5-141.9-118.2 151.7 -8.0 1.1 -55.6 56 60 A R E -A 71 0A 8 -2,-0.3 122,-3.2 15,-0.2 123,-1.0 -0.977 17.4-170.7-120.1 122.6 -8.5 2.0 -52.0 57 61 A N E -Ab 70 179A 0 13,-2.1 13,-3.1 -2,-0.5 123,-0.2 -0.944 19.4-131.9-124.3 111.0 -6.5 4.9 -50.7 58 62 A L E +Ab 69 180A 0 121,-2.6 123,-2.5 -2,-0.5 124,-0.6 -0.411 27.8 171.4 -67.5 130.7 -6.4 5.7 -47.0 59 63 A V E + 0 0 5 9,-3.0 2,-0.3 1,-0.4 10,-0.2 0.781 66.7 4.3-103.9 -45.0 -7.0 9.3 -46.2 60 64 A D E -A 68 0A 37 8,-2.1 8,-2.5 1,-0.1 -1,-0.4 -0.992 52.6-147.6-149.1 138.7 -7.4 9.5 -42.4 61 65 A Q > - 0 0 99 -2,-0.3 3,-0.8 1,-0.3 5,-0.4 0.519 41.6-147.0 -87.8 -5.1 -7.0 6.7 -39.7 62 66 A G T 3 - 0 0 19 1,-0.2 -1,-0.3 3,-0.1 5,-0.1 -0.273 38.4 -59.3 74.5-160.5 -9.6 8.3 -37.6 63 67 A N T 3 S- 0 0 60 -3,-0.1 -1,-0.2 -44,-0.1 4,-0.1 -0.026 88.6 -77.3-113.9 30.1 -9.6 8.2 -33.8 64 68 A G S < S+ 0 0 59 -3,-0.8 -2,-0.1 2,-0.4 3,-0.1 0.070 128.6 79.9 90.2 -21.1 -9.7 4.5 -33.6 65 69 A K S S+ 0 0 60 1,-0.2 2,-0.3 90,-0.1 -3,-0.1 0.478 98.3 10.2-105.1 -2.3 -13.4 4.6 -34.4 66 70 A F - 0 0 0 -5,-0.4 -2,-0.4 88,-0.2 2,-0.4 -0.988 53.5-139.2-164.4 163.4 -13.3 5.0 -38.2 67 71 A N E - C 0 153A 17 86,-2.2 86,-2.2 -2,-0.3 2,-0.4 -0.957 13.2-158.3-121.6 144.4 -11.3 5.1 -41.4 68 72 A L E +AC 60 152A 1 -8,-2.5 -9,-3.0 -2,-0.4 -8,-2.1 -0.995 24.1 162.9-122.0 128.5 -11.7 7.6 -44.2 69 73 A M E -AC 58 151A 3 82,-2.9 82,-3.6 -2,-0.4 2,-0.5 -0.944 33.9-126.8-147.7 161.3 -10.5 6.6 -47.6 70 74 A I E -AC 57 150A 0 -13,-3.1 -13,-2.1 -2,-0.3 2,-0.4 -0.957 19.5-156.8-116.4 124.2 -10.8 7.4 -51.3 71 75 A L E -AC 56 149A 0 78,-3.0 78,-2.6 -2,-0.5 2,-0.5 -0.842 3.8-156.8-101.7 136.0 -11.7 4.8 -53.9 72 76 A C E -AC 55 148A 0 -17,-2.1 -17,-1.6 -2,-0.4 2,-0.7 -0.947 7.0-168.0-119.1 118.9 -10.7 5.2 -57.6 73 77 A W E - C 0 147A 0 74,-3.2 74,-2.6 -2,-0.5 3,-0.1 -0.887 7.6-152.4-116.0 107.7 -12.6 3.4 -60.2 74 78 A G > - 0 0 5 -2,-0.7 3,-1.7 -24,-0.3 66,-0.2 -0.049 50.8 -63.3 -58.1 172.1 -11.4 3.2 -63.7 75 79 A E T 3 S+ 0 0 91 1,-0.3 -1,-0.2 68,-0.1 68,-0.2 -0.451 125.9 7.9 -60.5 128.1 -13.8 2.9 -66.5 76 80 A G T 3 S+ 0 0 57 64,-1.4 2,-0.3 66,-0.7 -1,-0.3 0.440 94.4 139.1 81.1 -1.6 -15.7 -0.4 -66.2 77 81 A H < + 0 0 23 -3,-1.7 63,-3.1 65,-0.1 2,-0.3 -0.584 22.4 161.4 -78.9 140.9 -14.2 -1.2 -62.8 78 82 A G B -G 139 0B 33 -2,-0.3 -24,-0.3 61,-0.3 61,-0.3 -0.871 30.2-115.6-147.2 179.5 -16.5 -2.7 -60.1 79 83 A S - 0 0 18 59,-2.0 2,-0.1 -2,-0.3 3,-0.0 -0.495 32.2-100.5-107.8 176.1 -16.5 -4.6 -56.9 80 84 A S - 0 0 50 -2,-0.2 2,-0.5 1,-0.1 58,-0.4 -0.320 51.0 -86.0 -77.8 176.2 -17.8 -7.9 -55.9 81 85 A I E S+H 163 0B 3 82,-0.6 82,-2.7 56,-0.2 2,-0.3 -0.805 72.6 162.5 -76.1 130.8 -21.0 -8.4 -54.1 82 86 A H E -HI 162 136B 2 54,-2.5 54,-1.7 -2,-0.5 80,-0.2 -0.944 39.4-128.5-156.2 163.7 -20.0 -7.8 -50.5 83 87 A D - 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