==== 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 3HBG . COMPND 2 MOLECULE: SULFITE OXIDASE MUTANT C185S; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.A.QIU . 353 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 26.6 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 . 2 0.6 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.5 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 1 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 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 4 0 2 3 1 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 0 159 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.4 35.6 -6.8 5.6 2 95 A D > - 0 0 66 1,-0.1 3,-1.6 2,-0.0 4,-0.2 -0.849 360.0-161.0 -99.4 114.8 34.3 -5.8 2.2 3 96 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.665 95.0 52.2 -64.1 -16.4 31.1 -7.8 1.1 4 97 A F T > S+ 0 0 32 1,-0.2 3,-1.8 45,-0.1 46,-0.1 0.245 73.8 108.5-104.8 9.5 31.9 -6.8 -2.5 5 98 A A T < S+ 0 0 78 -3,-1.6 -1,-0.2 1,-0.3 0, 0.0 0.837 79.2 50.7 -54.9 -37.7 35.5 -8.0 -2.5 6 99 A G T 3 S+ 0 0 50 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.308 80.9 126.1 -87.9 8.1 34.6 -11.0 -4.8 7 100 A D < - 0 0 26 -3,-1.8 -3,-0.0 1,-0.1 45,-0.0 -0.357 64.9-107.6 -64.7 146.4 32.8 -8.8 -7.4 8 101 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.287 33.8-100.1 -71.0 159.6 34.0 -9.3 -11.0 9 102 A P - 0 0 130 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.473 40.0-149.6 -73.0 153.2 36.0 -6.6 -12.9 10 103 A R - 0 0 56 -2,-0.1 31,-0.1 4,-0.0 30,-0.1 -0.839 24.4 -87.2-122.8 161.7 34.1 -4.4 -15.3 11 104 A H > - 0 0 93 29,-0.4 3,-0.8 -2,-0.3 2,-0.0 -0.442 48.9-116.8 -62.7 132.5 34.9 -2.6 -18.6 12 105 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.372 93.9 43.2 -67.8 154.2 36.3 0.9 -18.0 13 106 A G T 3 S+ 0 0 64 1,-0.3 2,-0.2 13,-0.1 -2,-0.1 0.563 75.2 137.2 85.3 8.9 34.3 3.9 -19.2 14 107 A L < - 0 0 21 -3,-0.8 2,-1.1 12,-0.1 -1,-0.3 -0.527 66.1-110.2 -73.2 153.0 30.9 2.6 -18.1 15 108 A R E -A 25 0A 93 10,-3.3 10,-2.3 -2,-0.2 2,-0.6 -0.797 39.3-155.8 -87.4 101.2 28.7 5.3 -16.5 16 109 A V E +A 24 0A 66 -2,-1.1 8,-0.3 8,-0.2 3,-0.2 -0.710 25.3 173.2 -88.4 115.4 28.8 4.0 -12.9 17 110 A N E S+ 0 0 36 6,-2.4 2,-0.3 -2,-0.6 7,-0.2 0.734 78.2 9.4 -88.1 -27.7 25.8 5.1 -10.8 18 111 A S E > -A 23 0A 28 5,-2.0 5,-2.7 1,-0.1 -1,-0.3 -0.958 54.5-166.7-153.0 134.5 26.8 2.9 -7.8 19 112 A Q T 5S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.888 79.6 56.6 -86.6 -45.1 30.0 1.0 -7.2 20 113 A K T 5S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 -0.871 121.0 22.4-134.8 99.6 28.8 -1.2 -4.2 21 114 A P T 5S- 0 0 31 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.526 114.4-117.5 -74.2 162.2 26.4 -2.6 -5.2 22 115 A F T 5 + 0 0 5 26,-0.3 24,-1.5 -2,-0.2 2,-0.4 -0.586 44.5 160.6 -82.6 120.7 27.4 -2.3 -8.9 23 116 A N E < +AB 18 45A 0 -5,-2.7 -6,-2.4 -2,-0.5 -5,-2.0 -0.958 14.5 146.5-140.6 116.1 24.9 -0.3 -11.0 24 117 A A E -AB 16 44A 0 20,-2.0 20,-2.7 -2,-0.4 -8,-0.2 -0.984 28.7-152.0-152.2 156.0 26.1 1.1 -14.3 25 118 A E E -A 15 0A 2 -10,-2.3 -10,-3.3 -2,-0.3 90,-0.1 -0.926 31.3-101.9-130.1 153.2 25.1 1.9 -17.9 26 119 A P - 0 0 1 0, 0.0 -12,-0.1 0, 0.0 2,-0.1 -0.385 51.5 -92.6 -66.2 152.6 26.9 2.1 -21.2 27 120 A P >> - 0 0 27 0, 0.0 3,-1.7 0, 0.0 4,-1.1 -0.441 33.9-120.1 -65.0 146.3 27.7 5.6 -22.4 28 121 A A H 3> S+ 0 0 6 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.794 109.0 65.8 -58.7 -31.8 25.0 7.0 -24.7 29 122 A E H 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 212,-0.1 0.683 111.6 35.1 -66.3 -17.5 27.4 7.4 -27.6 30 123 A L H X4 S+ 0 0 82 -3,-1.7 3,-1.5 2,-0.1 4,-0.5 0.592 95.7 87.8-106.5 -17.5 27.8 3.6 -27.8 31 124 A L H 3< S+ 0 0 2 -4,-1.1 3,-0.4 1,-0.3 -2,-0.1 0.856 97.7 31.6 -55.9 -45.9 24.3 2.5 -26.8 32 125 A A T 3< S+ 0 0 13 -4,-0.7 -1,-0.3 1,-0.2 226,-0.1 0.165 93.3 94.2-101.2 17.2 22.7 2.6 -30.3 33 126 A E S < S+ 0 0 101 -3,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.752 91.6 31.3 -82.0 -23.9 25.8 1.6 -32.3 34 127 A R - 0 0 175 -4,-0.5 -1,-0.2 -3,-0.4 -4,-0.0 -0.999 68.5-139.1-135.4 139.7 25.0 -2.1 -32.3 35 128 A F S S+ 0 0 54 -2,-0.4 2,-0.6 1,-0.1 264,-0.2 0.900 101.9 48.8 -60.1 -43.3 21.6 -3.9 -32.3 36 129 A L S S- 0 0 61 -3,-0.1 83,-0.2 81,-0.1 -1,-0.1 -0.904 93.8-131.4 -97.2 121.8 23.1 -6.4 -29.8 37 130 A T - 0 0 4 81,-2.5 5,-0.1 -2,-0.6 -6,-0.1 -0.589 28.8-110.3 -72.9 126.1 24.8 -4.7 -26.9 38 131 A P >> - 0 0 26 0, 0.0 3,-1.8 0, 0.0 4,-1.7 -0.280 26.3-117.3 -56.0 143.4 28.2 -6.2 -26.3 39 132 A N T 34 S+ 0 0 22 1,-0.3 3,-0.1 2,-0.2 -2,-0.1 0.834 114.9 55.1 -52.6 -37.6 28.3 -8.2 -23.0 40 133 A E T 34 S+ 0 0 108 1,-0.2 -29,-0.4 -30,-0.1 -1,-0.3 0.697 114.2 39.8 -70.3 -21.1 30.9 -5.8 -21.5 41 134 A L T <4 S+ 0 0 20 -3,-1.8 -2,-0.2 -31,-0.1 -1,-0.2 0.610 83.3 119.4-101.2 -16.5 28.6 -2.7 -22.2 42 135 A F S < S- 0 0 4 -4,-1.7 75,-0.1 -5,-0.1 -18,-0.1 -0.254 77.3-101.7 -53.5 129.8 25.3 -4.3 -21.3 43 136 A F - 0 0 15 71,-0.2 2,-0.5 73,-0.2 -18,-0.2 -0.199 37.3-145.9 -58.9 146.3 23.8 -2.2 -18.4 44 137 A T E -B 24 0A 4 -20,-2.7 -20,-2.0 -3,-0.1 2,-0.5 -0.968 18.5-178.8-122.6 128.5 24.2 -3.8 -15.0 45 138 A R E +B 23 0A 80 -2,-0.5 2,-0.4 144,-0.2 -22,-0.2 -0.933 11.3 170.7-128.5 105.9 21.8 -3.6 -12.1 46 139 A N - 0 0 1 -24,-1.5 4,-0.1 -2,-0.5 -2,-0.0 -0.962 22.0-172.3-114.2 131.8 22.8 -5.4 -8.9 47 140 A H S S+ 0 0 63 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.733 77.6 10.9 -82.9 -26.0 21.0 -5.1 -5.5 48 141 A L S S- 0 0 18 1,-0.1 -26,-0.3 -26,-0.1 105,-0.1 -0.717 102.7 -53.2-142.1 176.5 23.7 -7.1 -3.7 49 142 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 -0.351 66.1-101.1 -58.2 148.1 27.2 -8.6 -4.0 50 143 A V - 0 0 9 -46,-0.1 139,-0.1 1,-0.1 -44,-0.1 -0.620 40.2-116.0 -75.1 121.9 27.6 -10.8 -7.1 51 144 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 140,-0.1 -0.276 16.0-137.6 -58.1 141.3 27.4 -14.5 -6.1 52 145 A A - 0 0 88 -45,-0.0 2,-0.5 2,-0.0 -45,-0.0 -0.931 28.6-169.9 -99.6 114.5 30.5 -16.7 -6.7 53 146 A V - 0 0 28 -2,-0.7 3,-0.0 139,-0.1 156,-0.0 -0.930 23.4-147.0-118.4 120.2 29.2 -19.9 -8.1 54 147 A E > - 0 0 96 -2,-0.5 4,-0.9 1,-0.1 3,-0.5 -0.769 22.1-146.8 -78.1 118.7 31.2 -23.1 -8.7 55 148 A P T 4 S+ 0 0 55 0, 0.0 19,-0.5 0, 0.0 -1,-0.1 0.794 86.9 54.3 -66.5 -33.8 29.5 -24.5 -11.8 56 149 A S T 4 S+ 0 0 87 1,-0.2 19,-0.1 17,-0.1 18,-0.1 0.811 113.9 40.3 -72.3 -31.3 29.7 -28.3 -11.3 57 150 A S T 4 S+ 0 0 78 -3,-0.5 -1,-0.2 16,-0.1 2,-0.0 0.538 88.3 117.6 -93.3 -10.3 28.0 -28.2 -7.8 58 151 A Y < - 0 0 13 -4,-0.9 16,-0.5 -3,-0.1 2,-0.4 -0.347 42.8-174.6 -57.1 134.2 25.4 -25.7 -8.8 59 152 A R - 0 0 118 14,-0.2 2,-0.6 15,-0.1 14,-0.2 -0.999 19.3-145.6-134.2 134.0 21.8 -27.0 -8.7 60 153 A L E -C 72 0B 1 12,-2.9 12,-2.8 -2,-0.4 2,-0.5 -0.877 19.2-145.9 -94.7 119.0 18.6 -25.3 -9.7 61 154 A R E -Cd 71 212B 124 150,-2.5 152,-3.0 -2,-0.6 2,-0.5 -0.737 14.9-173.1 -87.1 129.3 15.7 -26.3 -7.4 62 155 A V E +Cd 70 213B 0 8,-2.2 8,-2.7 -2,-0.5 2,-0.3 -0.988 21.0 146.5-122.9 119.9 12.2 -26.6 -9.1 63 156 A D E + d 0 214B 17 150,-2.5 152,-1.7 -2,-0.5 3,-0.1 -0.895 9.0 145.6-144.3 173.2 9.2 -27.1 -6.8 64 157 A G >> - 0 0 17 -2,-0.3 3,-2.2 150,-0.2 4,-0.8 -0.752 58.1 -76.6 158.1 157.5 5.5 -26.4 -6.2 65 158 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 151,-0.1 0.771 126.5 23.1 -42.6 -50.8 2.2 -27.9 -4.9 66 159 A G T 34 S+ 0 0 57 -3,-0.1 -3,-0.0 1,-0.1 0, 0.0 -0.176 114.3 72.9-112.7 39.9 1.5 -30.2 -7.8 67 160 A G T <4 S- 0 0 22 -3,-2.2 2,-0.1 148,-0.1 -4,-0.1 0.784 78.3-129.5-112.7 -71.1 5.0 -30.7 -9.2 68 161 A G < - 0 0 45 -4,-0.8 2,-0.2 2,-0.1 67,-0.1 0.133 41.0 -77.0 105.0 129.3 7.6 -32.8 -7.4 69 162 A T - 0 0 103 -2,-0.1 2,-0.4 -6,-0.1 -6,-0.2 -0.357 42.7-169.6 -72.5 126.6 11.1 -31.5 -6.6 70 163 A L E -C 62 0B 33 -8,-2.7 -8,-2.2 -2,-0.2 2,-0.4 -0.862 10.5-164.0-104.8 146.0 13.8 -31.3 -9.3 71 164 A S E -C 61 0B 75 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.877 20.8-168.0-127.0 97.8 17.4 -30.5 -8.6 72 165 A L E -C 60 0B 3 -12,-2.8 -12,-2.9 -2,-0.4 2,-0.1 -0.767 10.3-149.9-100.3 123.5 18.9 -29.6 -12.0 73 166 A S > - 0 0 26 -2,-0.5 4,-2.2 -14,-0.2 -14,-0.2 -0.365 30.7-111.3 -75.6 164.9 22.6 -29.3 -12.7 74 167 A L H > S+ 0 0 21 -19,-0.5 4,-2.0 -16,-0.5 5,-0.2 0.892 121.0 53.7 -62.3 -41.6 23.9 -26.9 -15.4 75 168 A A H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 110.2 47.9 -58.3 -42.3 24.9 -29.9 -17.5 76 169 A E H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.870 108.7 52.4 -69.7 -38.6 21.4 -31.2 -17.2 77 170 A L H < S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.868 113.5 45.4 -65.5 -33.2 19.8 -27.9 -18.1 78 171 A R H < S+ 0 0 104 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.790 123.7 32.0 -75.3 -32.1 22.0 -27.7 -21.2 79 172 A S H < S+ 0 0 94 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.749 114.3 51.3-103.9 -27.4 21.4 -31.3 -22.4 80 173 A R S < S+ 0 0 163 -4,-2.6 -3,-0.1 -5,-0.2 -2,-0.1 0.586 106.3 51.5 -93.0 -11.1 17.9 -32.3 -21.3 81 174 A F S S- 0 0 12 -4,-0.5 -1,-0.1 -5,-0.3 48,-0.0 -0.984 93.6-103.4-128.1 135.8 15.9 -29.4 -22.7 82 175 A P - 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0 0 16 23,-2.2 3,-1.9 -2,-0.4 250,-0.1 -0.445 19.9-125.2 -65.2 142.5 15.2 -1.0 -15.8 93 186 A A T 3 S+ 0 0 20 1,-0.3 249,-2.0 -2,-0.1 250,-0.4 0.773 113.9 52.9 -54.1 -29.1 12.0 0.4 -14.2 94 187 A G T > S+ 0 0 1 247,-0.2 3,-2.0 248,-0.1 -1,-0.3 0.254 74.1 141.6 -98.0 11.5 14.2 3.4 -13.5 95 188 A N T < S+ 0 0 1 -3,-1.9 248,-0.7 1,-0.3 18,-0.2 -0.294 78.9 12.4 -49.8 133.1 15.5 4.1 -17.0 96 189 A R T >> S+ 0 0 0 16,-2.5 3,-0.9 246,-0.1 4,-0.8 0.715 83.1 143.6 66.0 23.7 15.7 7.8 -17.5 97 190 A R H X> + 0 0 22 -3,-2.0 4,-2.4 15,-0.3 3,-0.9 0.869 61.0 67.5 -58.2 -36.9 15.1 8.5 -13.8 98 191 A S H 3> S+ 0 0 10 13,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.830 94.5 56.9 -59.1 -29.6 17.5 11.5 -13.9 99 192 A E H <> S+ 0 0 22 -3,-0.9 4,-0.6 12,-0.3 -1,-0.3 0.850 109.1 45.9 -67.8 -33.7 15.0 13.4 -16.1 100 193 A M H XX S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.8 3,-0.8 0.884 107.6 57.3 -73.1 -38.2 12.4 12.9 -13.4 101 194 A S H 3< S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.798 99.8 60.7 -57.3 -32.8 15.0 14.0 -10.7 102 195 A R H 3< S+ 0 0 178 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.800 106.1 45.4 -67.8 -32.6 15.4 17.3 -12.6 103 196 A V H << S- 0 0 78 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.946 138.3 -16.8 -73.4 -50.7 11.7 18.1 -12.1 104 197 A R S < S- 0 0 147 -4,-1.9 -1,-0.3 233,-0.1 233,-0.1 -0.965 85.0 -87.7-157.9 138.0 11.6 17.1 -8.4 105 198 A P - 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