==== 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 04-MAY-09 3HBP . COMPND 2 MOLECULE: SULFITE OXIDASE MUTANT C185S; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.A.QIU . 373 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 3 0 3 4 0 0 2 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 1 1 2 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 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 94 A Q 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.0 -43.5 -17.8 38.3 2 95 A D - 0 0 74 1,-0.2 3,-0.2 2,-0.1 4,-0.1 -0.262 360.0-163.7 -55.8 132.6 -41.2 -14.9 37.6 3 96 A P S S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.660 92.4 52.0 -86.8 -17.0 -38.2 -14.9 39.9 4 97 A F S > S+ 0 0 36 1,-0.2 3,-2.3 45,-0.1 46,-0.1 0.368 73.6 105.5 -99.1 0.7 -37.6 -11.2 38.9 5 98 A A T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.2 -3,-0.0 0.786 79.6 53.1 -54.3 -30.5 -41.1 -9.8 39.6 6 99 A G T 3 S+ 0 0 51 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.348 79.6 126.4 -88.7 6.7 -40.0 -8.1 42.8 7 100 A D < - 0 0 26 -3,-2.3 -3,-0.0 1,-0.1 45,-0.0 -0.326 67.8-105.4 -63.9 147.3 -37.1 -6.2 41.1 8 101 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.287 35.1-105.7 -70.0 159.4 -37.2 -2.5 41.6 9 102 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.546 38.8-144.1 -80.3 156.5 -38.3 -0.2 38.7 10 103 A R - 0 0 54 -2,-0.2 30,-0.1 1,-0.0 0, 0.0 -0.789 23.7 -84.9-120.6 164.5 -35.6 1.8 36.9 11 104 A H > - 0 0 93 29,-0.4 3,-1.0 -2,-0.3 -1,-0.0 -0.444 43.0-127.6 -61.6 130.7 -35.0 5.2 35.3 12 105 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.678 93.8 64.9 -59.7 -26.2 -36.3 5.1 31.6 13 106 A G T 3 S+ 0 0 37 2,-0.1 -2,-0.0 14,-0.0 28,-0.0 0.359 72.5 123.4 -87.5 8.6 -33.3 6.3 29.7 14 107 A L < - 0 0 23 -3,-1.0 2,-1.1 12,-0.1 27,-0.0 -0.219 66.7-119.5 -76.6 155.8 -30.7 3.6 30.4 15 108 A R E -A 25 0A 121 10,-3.2 10,-2.0 99,-0.1 2,-0.5 -0.794 39.9-165.5 -88.3 93.7 -28.7 1.4 28.0 16 109 A V E +A 24 0A 66 -2,-1.1 8,-0.2 8,-0.2 3,-0.1 -0.716 23.3 173.8 -87.6 121.0 -30.0 -1.9 29.1 17 110 A N E S+ 0 0 43 6,-2.4 2,-0.3 -2,-0.5 7,-0.2 0.632 76.9 17.7 -99.6 -14.7 -28.0 -5.0 27.9 18 111 A S E > -A 23 0A 26 5,-1.4 5,-2.6 1,-0.1 -1,-0.4 -0.939 51.8-172.5-155.9 128.8 -30.0 -7.5 30.0 19 112 A Q T 5S+ 0 0 104 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.857 77.7 62.4 -85.9 -40.5 -33.4 -7.1 31.7 20 113 A K T 5S+ 0 0 111 1,-0.4 -1,-0.3 2,-0.1 2,-0.1 -0.908 120.0 17.9-135.3 101.0 -33.3 -10.4 33.6 21 114 A P T 5S- 0 0 32 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 0.610 114.6-117.0 -71.7 160.4 -31.0 -10.2 35.5 22 115 A F T 5 + 0 0 3 26,-0.3 24,-1.5 -3,-0.1 2,-0.4 -0.527 44.5 160.1 -80.7 124.8 -30.8 -6.4 35.2 23 116 A N E < +AB 18 45A 0 -5,-2.6 -6,-2.4 -2,-0.4 -5,-1.4 -0.945 12.9 151.3-144.3 115.1 -27.6 -5.0 33.8 24 117 A A E -AB 16 44A 1 20,-1.9 20,-2.5 -2,-0.4 -8,-0.2 -0.966 27.4-151.5-146.7 155.7 -27.6 -1.4 32.4 25 118 A E E -A 15 0A 8 -10,-2.0 -10,-3.2 -2,-0.3 90,-0.1 -0.928 30.5-104.4-126.5 154.1 -25.3 1.6 31.9 26 119 A P - 0 0 0 0, 0.0 -12,-0.1 0, 0.0 90,-0.1 -0.436 50.7 -88.5 -69.8 151.7 -26.1 5.3 31.7 27 120 A P >> - 0 0 9 0, 0.0 3,-1.8 0, 0.0 4,-1.7 -0.388 35.5-123.9 -56.9 138.2 -26.1 7.0 28.3 28 121 A A H 3> S+ 0 0 5 1,-0.3 4,-0.7 2,-0.2 231,-0.0 0.756 109.1 67.5 -58.4 -24.3 -22.5 8.1 27.5 29 122 A E H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 230,-0.1 0.761 111.0 32.7 -66.0 -26.9 -23.9 11.7 27.0 30 123 A L H X> S+ 0 0 62 -3,-1.8 3,-2.5 2,-0.1 4,-0.6 0.730 96.4 87.9 -99.4 -27.2 -24.8 11.9 30.7 31 124 A L H 3< S+ 0 0 3 -4,-1.7 3,-0.3 1,-0.3 -2,-0.1 0.789 100.6 29.4 -46.5 -46.6 -21.9 9.8 32.2 32 125 A A T 3< S+ 0 0 13 -4,-0.7 -1,-0.3 1,-0.2 244,-0.1 0.134 91.0 99.3-106.8 21.2 -19.4 12.6 32.6 33 126 A E T <4 S+ 0 0 128 -3,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.826 93.2 28.2 -63.8 -37.5 -22.0 15.4 33.1 34 127 A R < - 0 0 149 -4,-0.6 -1,-0.2 -3,-0.3 -4,-0.0 -0.979 69.7-135.7-135.7 143.3 -21.3 15.2 36.8 35 128 A F S S+ 0 0 53 -2,-0.4 2,-0.6 1,-0.1 282,-0.2 0.935 102.5 49.8 -62.7 -48.0 -18.5 14.1 39.0 36 129 A L S S- 0 0 58 -3,-0.1 83,-0.2 81,-0.1 -1,-0.1 -0.837 92.6-131.5 -91.3 118.9 -20.8 12.1 41.2 37 130 A T - 0 0 3 81,-2.5 5,-0.1 -2,-0.6 -6,-0.1 -0.575 29.2-113.1 -68.2 123.1 -23.0 9.9 39.2 38 131 A P >> - 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-1.3 -0.222 24.7-114.0 -54.4 146.7 -26.7 10.3 40.3 39 132 A N T 34 S+ 0 0 19 1,-0.3 3,-0.1 2,-0.2 -2,-0.1 0.802 115.7 54.9 -52.5 -33.6 -28.1 7.2 42.0 40 133 A E T 34 S+ 0 0 113 1,-0.2 -29,-0.4 -30,-0.1 -1,-0.3 0.693 114.4 39.4 -75.6 -19.7 -30.6 6.7 39.2 41 134 A L T <4 S+ 0 0 17 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.513 81.5 121.0-106.1 -12.2 -27.9 6.7 36.5 42 135 A F S < S- 0 0 4 -4,-1.3 75,-0.1 -5,-0.1 -18,-0.1 -0.339 77.1-103.0 -56.8 127.3 -25.2 4.7 38.3 43 136 A F - 0 0 14 71,-0.2 2,-0.5 73,-0.2 -18,-0.2 -0.188 37.7-144.4 -56.5 147.4 -24.5 1.6 36.2 44 137 A T E -B 24 0A 4 -20,-2.5 -20,-1.9 -3,-0.1 2,-0.5 -0.960 18.5-177.1-123.1 128.5 -26.1 -1.5 37.5 45 138 A R E +B 23 0A 58 -2,-0.5 2,-0.4 144,-0.2 -22,-0.2 -0.913 11.2 169.6-128.7 104.2 -24.7 -5.0 37.4 46 139 A N - 0 0 0 -24,-1.5 4,-0.1 -2,-0.5 -2,-0.0 -0.954 21.8-174.8-113.2 129.3 -26.9 -7.8 38.8 47 140 A H S S+ 0 0 32 -2,-0.4 -1,-0.1 2,-0.1 -24,-0.1 0.698 77.3 15.3 -81.8 -21.2 -26.2 -11.5 38.5 48 141 A L S S- 0 0 19 -26,-0.1 -26,-0.3 1,-0.1 105,-0.1 -0.774 101.3 -55.9-144.3 173.3 -29.4 -12.4 40.1 49 142 A P - 0 0 36 0, 0.0 103,-0.1 0, 0.0 -1,-0.1 -0.339 64.3-104.3 -55.7 145.8 -32.9 -11.2 41.2 50 143 A V - 0 0 9 -46,-0.1 139,-0.1 101,-0.1 -44,-0.1 -0.640 37.9-118.9 -78.1 122.4 -32.7 -8.2 43.5 51 144 A P - 0 0 21 0, 0.0 2,-0.7 0, 0.0 140,-0.1 -0.238 13.6-137.6 -59.4 144.4 -33.3 -9.2 47.2 52 145 A A - 0 0 89 -45,-0.0 2,-0.5 2,-0.0 -45,-0.0 -0.935 28.3-170.0-103.4 113.2 -36.3 -7.7 49.0 53 146 A V - 0 0 27 -2,-0.7 3,-0.1 139,-0.1 156,-0.0 -0.908 22.4-143.6-115.9 125.8 -35.0 -6.8 52.5 54 147 A E > - 0 0 104 -2,-0.5 4,-1.0 1,-0.1 3,-0.3 -0.796 20.9-142.6 -81.8 118.4 -37.1 -5.7 55.5 55 148 A P T 4 S+ 0 0 62 0, 0.0 19,-0.5 0, 0.0 3,-0.3 0.841 90.5 49.9 -55.3 -42.7 -34.9 -3.2 57.2 56 149 A S T 4 S+ 0 0 84 1,-0.2 19,-0.1 17,-0.1 18,-0.1 0.884 113.7 42.3 -67.5 -40.6 -35.7 -4.0 60.9 57 150 A S T 4 S+ 0 0 84 -3,-0.3 -1,-0.2 16,-0.1 2,-0.1 0.551 87.4 117.0 -88.5 -7.4 -35.2 -7.8 60.8 58 151 A Y < - 0 0 12 -4,-1.0 16,-0.5 -3,-0.3 2,-0.4 -0.361 42.4-174.9 -57.1 133.1 -32.0 -7.6 58.7 59 152 A R E -C 73 0B 118 14,-0.2 2,-0.5 -2,-0.1 14,-0.2 -0.987 18.3-147.3-134.8 126.6 -28.9 -9.0 60.3 60 153 A L E -C 72 0B 0 12,-3.3 12,-2.8 -2,-0.4 2,-0.6 -0.811 20.4-143.2 -86.7 127.5 -25.4 -8.9 59.0 61 154 A R E -Cd 71 212B 107 150,-1.2 152,-2.4 -2,-0.5 2,-0.5 -0.829 18.1-176.4 -97.9 120.2 -23.4 -12.0 60.2 62 155 A V E -Cd 70 213B 0 8,-3.4 8,-3.7 -2,-0.6 2,-0.5 -0.963 19.3-140.9-117.2 117.8 -19.7 -11.6 61.1 63 156 A D E -C 69 0B 20 150,-2.1 152,-0.3 -2,-0.5 6,-0.2 -0.672 21.8-138.2 -80.0 124.8 -17.8 -14.7 62.0 64 157 A G > - 0 0 15 4,-1.9 3,-1.8 -2,-0.5 70,-0.1 -0.207 27.2 -94.8 -79.2 170.4 -15.4 -14.0 64.8 65 158 A P T 3 S+ 0 0 74 0, 0.0 69,-0.1 0, 0.0 -1,-0.1 0.805 121.7 48.2 -56.6 -34.4 -11.8 -15.3 65.1 66 159 A G T 3 S- 0 0 83 1,-0.0 3,-0.1 0, 0.0 68,-0.0 0.388 123.1 -94.7 -90.1 2.7 -12.7 -18.3 67.2 67 160 A G S < S+ 0 0 64 -3,-1.8 -1,-0.0 1,-0.3 -4,-0.0 0.283 88.0 119.1 96.8 -10.9 -15.6 -19.6 65.1 68 161 A G - 0 0 48 -5,-0.1 -4,-1.9 1,-0.0 2,-0.4 -0.164 61.0-116.3 -68.1 177.3 -18.5 -17.8 67.0 69 162 A T E -C 63 0B 76 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.978 13.4-155.5-128.2 128.8 -20.8 -15.3 65.2 70 163 A L E -C 62 0B 44 -8,-3.7 -8,-3.4 -2,-0.4 2,-0.5 -0.812 17.0-157.3 -92.8 141.6 -21.4 -11.6 65.7 71 164 A S E -C 61 0B 60 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.980 8.1-169.3-128.3 122.2 -24.8 -10.4 64.5 72 165 A L E -C 60 0B 1 -12,-2.8 -12,-3.3 -2,-0.5 2,-0.1 -0.954 9.8-151.6-124.6 122.6 -25.4 -6.8 63.5 73 166 A S E > -C 59 0B 15 -2,-0.5 4,-2.2 -14,-0.2 -14,-0.2 -0.373 36.7-106.0 -74.5 163.1 -28.7 -5.0 62.8 74 167 A L H > S+ 0 0 21 -16,-0.5 4,-2.0 -19,-0.5 5,-0.2 0.902 122.6 54.0 -53.4 -43.8 -28.8 -2.0 60.4 75 168 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 107.8 48.6 -61.5 -43.9 -29.3 0.2 63.5 76 169 A E H > S+ 0 0 69 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.916 109.2 53.1 -59.6 -44.6 -26.1 -1.2 65.2 77 170 A L H X S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.868 113.9 43.9 -61.2 -37.2 -24.1 -0.7 62.1 78 171 A R H < S+ 0 0 105 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 123.9 33.5 -70.9 -37.6 -25.2 2.9 62.0 79 172 A S H < S+ 0 0 100 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.828 114.2 50.6 -96.7 -32.1 -24.7 3.6 65.7 80 173 A R H < S+ 0 0 139 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.1 0.726 106.0 54.9 -82.0 -21.3 -21.7 1.6 66.9 81 174 A F S < S- 0 0 12 -4,-0.5 -1,-0.1 -5,-0.4 3,-0.1 -0.943 89.4-109.8-121.2 130.8 -19.2 2.6 64.2 82 175 A P - 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