==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JAN-05 1VR3 . COMPND 2 MOLECULE: ACIREDUCTONE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.6 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-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 . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 16.8 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+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 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 3 1 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 1 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 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 1 A X 0 0 143 0, 0.0 39,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.3 58.6 6.7 56.2 2 2 A V - 0 0 29 1,-0.1 2,-0.4 118,-0.0 26,-0.1 -0.240 360.0-142.1 -63.5 136.5 55.2 8.5 55.5 3 3 A Q E +A 118 0A 90 115,-0.6 115,-2.7 24,-0.1 2,-0.3 -0.840 26.0 164.6-108.9 135.9 52.9 8.6 58.5 4 4 A A E +A 117 0A 8 22,-0.4 22,-2.4 -2,-0.4 2,-0.3 -0.981 9.1 172.8-142.6 150.1 49.1 8.2 58.6 5 5 A W E -AB 116 25A 10 111,-2.4 111,-3.3 -2,-0.3 2,-0.2 -0.999 37.7 -97.7-154.1 157.2 46.8 7.6 61.5 6 6 A Y E -A 115 0A 17 18,-2.7 14,-2.2 -2,-0.3 18,-0.4 -0.578 51.8-121.0 -70.0 144.4 43.2 7.3 62.7 7 7 A X B -G 19 0B 33 107,-1.5 12,-0.2 -2,-0.2 11,-0.1 -0.527 14.7-114.5 -93.8 154.4 42.2 10.5 64.4 8 8 A D - 0 0 51 10,-1.9 12,-0.2 -2,-0.2 -1,-0.1 -0.009 33.8-102.9 -73.3-174.6 40.9 11.3 67.8 9 9 A E S S+ 0 0 179 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.290 79.4 115.3-102.2 8.3 37.5 12.5 68.6 10 10 A S - 0 0 58 1,-0.1 -2,-0.0 2,-0.1 -3,-0.0 -0.595 44.7-166.8 -77.9 136.5 38.3 16.2 69.2 11 11 A T + 0 0 146 -2,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.326 59.0 100.9-101.0 5.7 36.8 18.8 66.8 12 12 A A S S+ 0 0 47 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 -0.571 79.9 6.0 -87.6 152.9 39.1 21.6 68.1 13 13 A D > - 0 0 105 -2,-0.2 3,-1.8 1,-0.1 -1,-0.2 0.889 61.3-159.9 50.4 74.0 42.2 22.9 66.4 14 14 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 0.675 84.5 64.3 -59.7 -20.7 42.4 21.1 63.0 15 15 A R T 3 S+ 0 0 109 123,-0.1 124,-0.8 124,-0.1 125,-0.1 0.596 82.3 94.2 -81.5 -12.8 46.2 21.8 62.6 16 16 A K S < S- 0 0 51 -3,-1.8 0, 0.0 122,-0.2 0, 0.0 -0.379 91.9-109.9 -70.9 159.0 47.1 19.7 65.7 17 17 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 99,-0.1 0.837 33.7-160.6 -65.6 -33.3 48.0 16.1 64.9 18 18 A H - 0 0 18 1,-0.2 -10,-1.9 -11,-0.1 2,-0.3 0.890 16.4-177.7 55.4 42.8 44.8 14.6 66.5 19 19 A R B -G 7 0B 107 -12,-0.2 -12,-0.2 1,-0.1 -1,-0.2 -0.577 27.9-117.9 -70.9 130.9 46.3 11.1 66.9 20 20 A A - 0 0 11 -14,-2.2 4,-0.2 -2,-0.3 -12,-0.1 -0.362 38.9 -99.0 -61.1 151.4 43.8 8.6 68.4 21 21 A Q S S+ 0 0 141 2,-0.1 2,-0.2 -14,-0.1 -1,-0.0 -0.989 112.3 34.4-126.1 121.1 44.8 7.1 71.7 22 22 A P S S- 0 0 108 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.588 117.9 -99.1 -73.5 162.4 46.1 4.5 71.8 23 23 A D - 0 0 100 -2,-0.2 -2,-0.1 1,-0.1 -16,-0.1 -0.156 35.9-170.3 -50.9 136.0 47.9 5.1 68.4 24 24 A R - 0 0 119 -18,-0.4 -18,-2.7 -4,-0.2 -4,-0.2 -0.797 13.8-165.3-129.9 84.7 46.2 3.5 65.4 25 25 A P B -B 5 0A 102 0, 0.0 2,-0.4 0, 0.0 -20,-0.3 -0.343 8.1-143.8 -69.0 151.8 48.7 3.9 62.6 26 26 A V - 0 0 11 -22,-2.4 -22,-0.4 90,-0.2 2,-0.1 -0.981 12.8-141.6-121.1 133.1 47.7 3.4 59.0 27 27 A S > - 0 0 66 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.432 24.5-113.2 -89.6 163.4 50.0 1.8 56.4 28 28 A L H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 118.3 59.2 -59.5 -36.1 50.5 2.6 52.8 29 29 A E H > S+ 0 0 77 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 104.9 47.2 -60.5 -44.1 48.9 -0.7 52.0 30 30 A Q H > S+ 0 0 58 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.917 110.7 53.7 -64.1 -39.0 45.7 0.2 53.8 31 31 A L H ><>S+ 0 0 7 -4,-2.0 5,-2.2 1,-0.2 3,-1.2 0.892 102.8 57.0 -62.4 -36.7 45.8 3.5 51.9 32 32 A R H ><5S+ 0 0 148 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.832 97.4 61.7 -65.9 -31.9 46.1 1.7 48.6 33 33 A T H 3<5S+ 0 0 24 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.720 104.9 49.4 -62.0 -23.5 42.8 -0.1 49.4 34 34 A L T <<5S- 0 0 1 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.375 124.0-108.7 -88.7 -0.9 41.2 3.3 49.4 35 35 A G T < 5S+ 0 0 13 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.522 73.7 140.7 85.5 6.7 42.9 4.1 46.0 36 36 A V < - 0 0 3 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.737 33.6-164.5 -88.7 122.6 45.3 6.6 47.6 37 37 A L E -H 126 0C 37 89,-1.9 89,-2.2 -2,-0.5 2,-0.3 -0.825 4.7-165.1-112.6 155.3 48.8 6.2 46.0 38 38 A Y E -H 125 0C 50 -2,-0.3 2,-0.3 87,-0.2 87,-0.2 -0.988 11.0-179.7-142.6 139.3 52.1 7.5 47.2 39 39 A W E -H 124 0C 49 85,-2.3 85,-2.3 -2,-0.3 2,-0.5 -0.991 19.7-140.9-136.2 147.1 55.6 8.1 45.9 40 40 A K E +H 123 0C 116 -2,-0.3 2,-0.3 83,-0.2 83,-0.2 -0.933 30.1 170.6-106.4 127.2 58.7 9.4 47.7 41 41 A L - 0 0 21 81,-3.0 2,-1.0 -2,-0.5 3,-0.1 -0.857 44.2-100.8-129.7 165.2 60.9 11.8 45.6 42 42 A D > - 0 0 82 -2,-0.3 3,-1.9 1,-0.2 10,-0.1 -0.765 34.6-163.0 -86.3 102.2 63.9 14.1 46.1 43 43 A A G > S+ 0 0 6 -2,-1.0 3,-1.2 1,-0.3 -1,-0.2 0.668 81.1 68.5 -67.4 -19.0 62.1 17.4 46.3 44 44 A D G 3 S+ 0 0 116 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.769 100.1 51.8 -66.2 -24.0 65.3 19.5 45.7 45 45 A K G X S+ 0 0 99 -3,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.242 73.5 119.8 -93.1 15.7 65.3 18.1 42.2 46 46 A Y T < + 0 0 45 -3,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.745 69.3 54.9 -63.9 -28.3 61.7 19.0 41.3 47 47 A E T 3 S+ 0 0 164 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 127.9 16.9 -74.3 -20.7 62.4 21.3 38.4 48 48 A N S < S+ 0 0 133 -3,-2.1 -1,-0.3 0, 0.0 -2,-0.1 -0.531 81.2 144.3-154.0 80.6 64.4 18.5 36.7 49 49 A D >> - 0 0 12 -3,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.916 33.4-163.3-128.7 106.9 63.8 15.1 38.0 50 50 A P H 3> S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.775 94.9 57.2 -56.2 -29.5 63.8 12.0 35.8 51 51 A E H 3> S+ 0 0 98 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.862 107.0 46.4 -71.8 -35.3 62.0 10.1 38.6 52 52 A L H <> S+ 0 0 7 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.888 110.3 55.3 -67.8 -40.3 59.1 12.5 38.7 53 53 A E H X S+ 0 0 69 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.888 102.7 55.2 -63.1 -38.1 59.0 12.4 35.0 54 54 A K H X S+ 0 0 130 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.883 110.9 45.3 -58.7 -41.5 58.6 8.6 35.1 55 55 A I H X S+ 0 0 14 -4,-1.3 4,-2.8 2,-0.2 6,-0.2 0.930 112.5 50.3 -68.0 -47.2 55.5 9.0 37.3 56 56 A R H X>S+ 0 0 43 -4,-2.6 5,-1.8 1,-0.2 4,-0.9 0.902 112.8 46.1 -61.0 -42.7 54.0 11.7 35.3 57 57 A K H ><5S+ 0 0 165 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.931 113.8 48.8 -65.2 -44.2 54.3 9.8 32.0 58 58 A X H 3<5S+ 0 0 120 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.920 120.2 36.3 -59.9 -44.4 53.0 6.6 33.5 59 59 A R H 3<5S- 0 0 72 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.365 107.2-118.3 -95.7 -0.6 50.0 8.4 35.1 60 60 A N T <<5 + 0 0 110 -4,-0.9 2,-2.0 -3,-0.5 91,-0.4 0.800 52.9 160.2 69.3 30.2 49.3 10.9 32.3 61 61 A Y < + 0 0 2 -5,-1.8 89,-0.2 -6,-0.2 -1,-0.2 -0.585 6.2 159.3 -84.9 76.2 49.9 14.0 34.7 62 62 A S + 0 0 86 -2,-2.0 2,-0.4 87,-0.3 -1,-0.2 0.529 51.2 59.6 -81.0 -8.9 50.5 16.2 31.7 63 63 A W E +I 149 0C 50 86,-1.9 86,-2.1 88,-0.2 2,-0.3 -0.953 59.2 163.0-126.4 140.8 49.8 19.5 33.6 64 64 A X E +I 148 0C 81 -2,-0.4 2,-0.3 84,-0.2 84,-0.2 -0.995 8.6 168.3-150.5 155.0 51.5 21.0 36.7 65 65 A D E -I 147 0C 45 82,-2.0 82,-2.5 -2,-0.3 2,-0.4 -0.924 31.1-114.3-152.4 177.4 51.9 24.2 38.6 66 66 A I E -I 146 0C 63 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.977 26.0-173.8-122.9 133.3 53.3 25.3 42.0 67 67 A I E -I 145 0C 32 78,-2.8 78,-2.7 -2,-0.4 2,-0.5 -0.934 9.4-157.8-125.2 143.6 51.2 26.7 44.8 68 68 A T E -I 144 0C 41 -2,-0.3 2,-0.6 76,-0.2 76,-0.2 -0.995 7.7-159.6-123.6 123.7 52.4 28.1 48.1 69 69 A I E +I 143 0C 12 74,-3.0 74,-1.4 -2,-0.5 2,-0.3 -0.913 36.2 120.2-108.5 110.2 50.0 28.2 51.0 70 70 A C S > S- 0 0 18 -2,-0.6 4,-2.0 72,-0.2 72,-0.1 -0.939 70.3 -99.9-164.8 152.2 50.8 30.7 53.8 71 71 A K T 4 S+ 0 0 73 70,-0.4 6,-0.2 -2,-0.3 7,-0.1 0.791 116.0 38.9 -36.9 -44.8 49.2 33.7 55.6 72 72 A D T 4 S+ 0 0 149 1,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.954 119.6 34.4 -83.1 -53.2 51.3 36.2 53.6 73 73 A T T 4 S+ 0 0 87 2,-0.1 -2,-0.2 4,-0.0 -1,-0.1 0.864 95.0 88.8 -76.9 -36.6 51.7 35.1 50.0 74 74 A L S >< S- 0 0 29 -4,-2.0 3,-0.8 1,-0.1 2,-0.2 -0.465 72.6-133.0 -77.2 125.4 48.3 33.4 49.3 75 75 A P T 3 S+ 0 0 104 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.540 91.4 9.1 -76.1 137.5 45.5 35.7 48.0 76 76 A N T 3> S+ 0 0 117 -2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.909 86.4 165.1 62.1 45.6 42.2 35.2 49.8 77 77 A Y H <> + 0 0 29 -3,-0.8 4,-2.7 -6,-0.2 5,-0.2 0.924 63.0 49.1 -63.3 -55.1 44.0 33.0 52.4 78 78 A E H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.840 115.6 44.9 -59.5 -36.7 41.5 32.8 55.2 79 79 A E H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 113.1 48.9 -71.1 -50.4 38.7 31.9 52.9 80 80 A K H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.886 110.0 52.7 -54.5 -42.8 40.7 29.3 50.8 81 81 A I H X S+ 0 0 44 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.903 108.8 50.1 -63.2 -43.3 41.9 27.6 54.1 82 82 A K H X S+ 0 0 82 -4,-1.5 4,-0.7 -5,-0.2 3,-0.5 0.946 113.5 46.1 -58.4 -49.2 38.3 27.3 55.3 83 83 A X H >< S+ 0 0 94 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.844 106.1 57.3 -64.4 -39.5 37.2 25.7 52.0 84 84 A F H 3< S+ 0 0 69 -4,-2.4 51,-2.3 1,-0.2 -1,-0.2 0.808 107.3 50.1 -62.9 -30.9 40.1 23.3 51.8 85 85 A F H 3< S+ 0 0 49 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.2 0.553 84.8 102.4 -88.9 -8.3 39.2 21.8 55.2 86 86 A E S << S- 0 0 108 -3,-0.7 2,-0.1 -4,-0.7 47,-0.1 -0.597 88.8-104.5 -70.5 133.3 35.5 21.3 54.3 87 87 A E + 0 0 31 -2,-0.3 73,-2.1 47,-0.1 2,-0.3 -0.394 64.3 143.4 -63.7 127.5 34.9 17.6 53.5 88 88 A H E -CD 133 159A 9 45,-2.6 45,-2.5 71,-0.3 2,-0.3 -0.923 39.0-138.1-155.5 170.8 34.6 17.3 49.8 89 89 A L E - 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