==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JUL-97 1AOM . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR P.A.WILLIAMS,V.FULOP . 998 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 664 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 337 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 1 0.1 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 . 93 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 4 4 0 3 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 6 0 9 23 14 1 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 . 2 0 10 4 0 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 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 1 129 A L 0 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.6 32.6 11.4 61.0 2 130 A D - 0 0 142 1,-0.1 2,-0.2 471,-0.0 0, 0.0 -0.586 360.0-117.3 -74.3 128.0 28.8 11.9 61.8 3 131 A P - 0 0 128 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.487 18.3-132.2 -70.5 135.9 26.9 12.3 58.5 4 132 A A - 0 0 97 -2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.800 25.7-121.2 -89.3 121.4 25.1 15.6 58.0 5 133 A A - 0 0 87 -2,-0.6 3,-0.1 1,-0.1 -1,-0.0 -0.420 29.3-116.7 -63.9 130.4 21.5 14.9 56.8 6 134 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.150 43.4 -80.2 -62.4 161.8 20.7 16.5 53.4 7 135 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 105,-0.1 -0.220 41.7-123.2 -65.1 153.6 18.1 19.3 53.2 8 136 A E - 0 0 61 -3,-0.1 2,-0.3 718,-0.1 103,-0.1 -0.385 14.4-142.6 -84.7 174.9 14.4 18.5 53.1 9 137 A F + 0 0 29 -2,-0.1 2,-0.1 101,-0.1 103,-0.0 -0.760 34.1 158.9-145.7 90.0 12.2 19.7 50.3 10 138 A G > - 0 0 3 -2,-0.3 4,-2.9 716,-0.1 5,-0.2 -0.199 56.0 -64.3-100.8-162.1 8.8 20.8 51.4 11 139 A M H > S+ 0 0 13 713,-2.6 4,-3.2 712,-0.3 5,-0.2 0.856 127.7 52.8 -53.8 -45.3 5.9 23.0 50.3 12 140 A K H > S+ 0 0 131 711,-0.4 4,-1.7 712,-0.2 -1,-0.2 0.945 114.0 43.3 -58.6 -46.0 7.8 26.3 50.4 13 141 A E H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.932 115.6 48.1 -65.5 -47.4 10.6 24.9 48.2 14 142 A M H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 3,-0.5 0.944 111.4 49.8 -59.3 -49.3 8.1 23.2 45.8 15 143 A R H < S+ 0 0 100 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 107.0 55.2 -61.1 -32.5 6.0 26.3 45.5 16 144 A E H < S+ 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.846 113.2 42.1 -68.9 -31.2 9.1 28.4 44.8 17 145 A S H < S+ 0 0 15 -4,-1.5 2,-0.6 -3,-0.5 -1,-0.2 0.581 91.5 108.3 -87.5 -14.6 10.0 26.0 41.9 18 146 A W < + 0 0 62 -4,-1.1 2,-0.4 -5,-0.2 90,-0.2 -0.569 43.9 172.1 -70.8 114.4 6.3 25.9 40.8 19 147 A K E -A 107 0A 92 88,-2.4 88,-2.3 -2,-0.6 2,-0.8 -0.990 22.8-158.9-129.8 125.4 5.9 27.8 37.5 20 148 A V E +A 106 0A 58 -2,-0.4 86,-0.3 86,-0.2 3,-0.2 -0.914 11.7 179.2-103.9 103.3 2.7 27.8 35.4 21 149 A H S S+ 0 0 93 84,-1.3 2,-0.4 -2,-0.8 85,-0.2 0.839 76.8 23.5 -72.8 -37.2 3.9 28.8 31.9 22 150 A V S S- 0 0 29 83,-2.4 -1,-0.3 125,-0.0 5,-0.1 -0.936 83.3-138.5-134.9 110.1 0.4 28.6 30.4 23 151 A A > - 0 0 27 -2,-0.4 3,-2.0 -3,-0.2 4,-0.5 -0.311 26.8-111.1 -63.8 149.4 -2.7 28.9 32.7 24 152 A P G > S+ 0 0 35 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.892 117.8 58.0 -48.8 -44.1 -5.6 26.5 32.1 25 153 A E G 3 S+ 0 0 153 1,-0.3 -2,-0.0 4,-0.0 4,-0.0 0.692 106.7 49.8 -61.1 -22.2 -7.8 29.3 30.8 26 154 A D G < S+ 0 0 123 -3,-2.0 -1,-0.3 2,-0.1 -3,-0.1 0.425 93.9 91.0 -97.1 -2.4 -5.2 30.1 28.2 27 155 A R S < S- 0 0 15 -3,-1.9 -4,-0.0 -4,-0.5 72,-0.0 -0.486 87.8 -88.2 -88.4 162.9 -4.9 26.6 26.8 28 156 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.197 18.1-141.7 -68.5 163.7 -7.0 25.2 24.0 29 157 A T S S+ 0 0 125 1,-0.1 2,-0.3 69,-0.1 -2,-0.0 0.339 87.8 18.5-103.1 0.9 -10.4 23.6 24.5 30 158 A Q S S- 0 0 133 68,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.954 106.2 -66.3-160.5 163.9 -9.6 21.0 21.8 31 159 A Q - 0 0 73 -2,-0.3 68,-0.2 1,-0.2 67,-0.1 -0.417 43.4-177.0 -60.5 125.5 -6.6 19.6 19.9 32 160 A M + 0 0 103 66,-3.0 2,-0.3 -2,-0.2 -1,-0.2 0.325 60.6 67.6-108.9 -0.7 -5.1 22.4 17.8 33 161 A N S S- 0 0 18 65,-0.2 67,-0.1 64,-0.2 68,-0.1 -0.723 80.6-126.8-109.7 171.4 -2.3 20.5 16.1 34 162 A D + 0 0 146 -2,-0.3 66,-0.0 66,-0.2 -3,-0.0 0.153 62.6 128.3-106.1 19.4 -2.8 17.7 13.5 35 163 A W - 0 0 35 62,-0.2 2,-1.4 1,-0.1 3,-0.2 -0.271 69.3-117.0 -73.1 158.4 -0.7 15.0 15.2 36 164 A D > - 0 0 79 1,-0.2 3,-1.0 3,-0.1 20,-0.3 -0.748 39.3-176.2 -93.6 85.8 -1.9 11.5 15.9 37 165 A L G > S+ 0 0 11 -2,-1.4 3,-1.7 1,-0.2 394,-0.3 0.887 72.8 54.3 -55.0 -45.5 -1.6 12.0 19.7 38 166 A E G 3 S+ 0 0 63 1,-0.3 394,-2.3 393,-0.2 395,-0.3 0.742 111.1 46.5 -66.2 -20.3 -2.5 8.5 20.8 39 167 A N G < S+ 0 0 11 -3,-1.0 17,-0.6 392,-0.2 -1,-0.3 0.306 88.9 116.2-101.9 7.7 0.1 6.9 18.5 40 168 A L E < -E 55 0B 2 -3,-1.7 391,-2.8 -4,-0.3 2,-0.4 -0.431 55.9-144.3 -74.7 150.6 2.8 9.4 19.6 41 169 A F E -EF 54 430B 0 13,-2.3 13,-2.8 389,-0.2 2,-0.7 -0.976 0.8-149.9-117.9 129.8 5.9 8.1 21.4 42 170 A S E -EF 53 429B 1 387,-2.6 387,-1.5 -2,-0.4 2,-0.5 -0.905 22.7-167.3-100.1 110.8 7.6 10.2 24.2 43 171 A V E -EF 52 428B 0 9,-3.1 9,-2.4 -2,-0.7 2,-0.3 -0.879 17.5-130.2-107.4 128.5 11.3 9.3 24.1 44 172 A T E -E 51 0B 0 383,-3.0 382,-1.8 -2,-0.5 2,-0.8 -0.579 10.5-165.0 -76.2 127.3 13.9 10.1 26.8 45 173 A L E >>> -EF 50 425B 1 5,-2.6 5,-1.4 -2,-0.3 3,-1.0 -0.800 23.5-167.0-108.9 77.9 17.0 11.8 25.4 46 174 A R G >45S+ 0 0 57 378,-1.7 24,-1.6 -2,-0.8 3,-1.3 0.830 70.8 32.9 -35.3 -73.5 18.7 11.1 28.7 47 175 A D G 345S+ 0 0 36 1,-0.3 -1,-0.2 377,-0.1 377,-0.1 0.596 113.9 61.2 -69.6 -13.6 22.0 13.1 28.9 48 176 A A G <45S- 0 0 35 -3,-1.0 -1,-0.3 375,-0.4 -2,-0.2 0.598 103.1-127.3 -88.5 -11.2 20.6 15.9 26.8 49 177 A G T <<5S+ 0 0 9 -3,-1.3 18,-2.9 -4,-0.9 2,-0.3 0.930 73.9 103.1 65.1 42.3 17.9 16.7 29.4 50 178 A Q E < -EG 45 66B 49 -5,-1.4 -5,-2.6 16,-0.3 2,-0.3 -0.885 58.9-142.6-145.3 170.7 15.2 16.5 26.7 51 179 A I E -EG 44 65B 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.4 -0.951 14.4-139.8-135.2 153.1 12.5 14.2 25.3 52 180 A A E -EG 43 64B 0 -9,-2.4 -9,-3.1 -2,-0.3 2,-0.7 -0.958 6.0-146.7-116.5 135.5 11.5 13.7 21.7 53 181 A L E -EG 42 63B 1 10,-2.9 9,-2.4 -2,-0.4 10,-1.3 -0.935 27.1-169.2-101.8 113.7 7.9 13.3 20.6 54 182 A I E -EG 41 61B 0 -13,-2.8 -13,-2.3 -2,-0.7 2,-0.3 -0.911 25.9-117.2-115.8 132.9 7.9 10.9 17.7 55 183 A D E > -E 40 0B 18 5,-2.8 4,-1.8 -2,-0.4 -15,-0.2 -0.510 22.4-144.4 -64.1 125.0 5.1 10.0 15.3 56 184 A G T 4 S+ 0 0 0 -17,-0.6 -1,-0.1 -2,-0.3 -16,-0.1 0.650 93.5 32.9 -69.0 -16.2 4.4 6.3 15.8 57 185 A S T 4 S+ 0 0 67 3,-0.1 -1,-0.2 -21,-0.1 -2,-0.0 0.755 128.2 32.1-109.5 -35.1 3.6 5.6 12.1 58 186 A T T 4 S- 0 0 61 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.637 90.9-137.3 -95.2 -19.9 5.9 8.0 10.2 59 187 A Y < + 0 0 22 -4,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.554 50.5 151.1 71.3 11.4 8.8 7.9 12.7 60 188 A E - 0 0 108 1,-0.1 -5,-2.8 -6,-0.1 2,-0.9 -0.556 53.3-123.2 -74.9 133.0 9.1 11.7 12.3 61 189 A I E -G 54 0B 29 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.707 28.1-172.1 -77.3 106.3 10.4 13.5 15.3 62 190 A K E - 0 0 63 -9,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.811 62.4 -17.0 -71.3 -33.4 7.6 16.0 15.8 63 191 A T E -G 53 0B 27 -10,-1.3 -10,-2.9 -3,-0.1 2,-0.5 -0.969 48.7-141.0-171.5 152.4 9.4 18.0 18.5 64 192 A V E -G 52 0B 34 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.997 28.5-166.6-120.8 121.3 12.3 17.9 21.0 65 193 A L E -G 51 0B 15 -14,-2.5 -14,-1.8 -2,-0.5 2,-0.3 -0.918 21.6-118.2-115.4 144.3 11.4 19.6 24.3 66 194 A D E +G 50 0B 116 -2,-0.4 -16,-0.3 -16,-0.2 2,-0.2 -0.602 45.5 158.1 -77.0 136.3 13.7 20.6 27.1 67 195 A T - 0 0 22 -18,-2.9 2,-0.1 -2,-0.3 3,-0.1 -0.586 46.1 -54.3-138.3-163.3 13.0 18.8 30.4 68 196 A G S > S- 0 0 6 23,-0.3 3,-0.6 -2,-0.2 -1,-0.2 -0.396 76.9 -76.2 -75.8 161.9 14.7 17.9 33.7 69 197 A Y T 3 S- 0 0 107 1,-0.2 19,-1.5 18,-0.1 20,-0.6 -0.380 107.5 -4.0 -66.7 135.1 18.0 16.1 33.5 70 198 A A T 3 S- 0 0 1 -24,-1.6 18,-0.8 -25,-0.3 -1,-0.2 0.931 82.1-142.0 49.0 60.6 17.8 12.4 32.6 71 199 A V E < -B 87 0A 4 -3,-0.6 16,-0.3 16,-0.2 356,-0.3 -0.254 11.3-160.6 -47.3 132.2 14.1 12.0 32.5 72 200 A H E - 0 0 83 14,-3.0 2,-0.3 1,-0.3 -1,-0.1 0.881 62.9 -8.6 -88.1 -41.3 13.3 8.5 34.0 73 201 A I E -B 86 0A 22 13,-0.8 13,-1.3 354,-0.1 2,-0.4 -0.984 53.3-136.7-153.1 161.6 9.8 8.0 32.6 74 202 A S E -B 85 0A 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.941 23.3-176.0-118.0 142.5 7.0 9.6 30.8 75 203 A R E -B 84 0A 27 9,-2.5 9,-3.2 -2,-0.4 2,-0.3 -0.967 13.3-140.5-139.7 148.1 3.4 9.1 31.9 76 204 A L E -B 83 0A 0 -2,-0.3 43,-0.3 7,-0.2 7,-0.2 -0.881 20.2-111.5-112.9 148.3 0.1 10.3 30.4 77 205 A S > - 0 0 1 5,-2.7 3,-1.4 -2,-0.3 44,-0.1 -0.294 41.7-102.6 -67.4 161.9 -3.0 11.7 31.9 78 206 A A T 3 S+ 0 0 21 42,-0.6 -1,-0.1 1,-0.3 48,-0.1 0.726 123.6 50.8 -60.7 -24.8 -6.1 9.4 31.6 79 207 A S T 3 S- 0 0 51 3,-0.1 -1,-0.3 0, 0.0 356,-0.0 0.642 109.0-125.1 -85.4 -18.2 -7.5 11.5 28.8 80 208 A G S < S+ 0 0 6 -3,-1.4 -2,-0.1 2,-0.2 17,-0.1 0.446 83.9 107.2 87.3 2.0 -4.2 11.4 26.9 81 209 A R + 0 0 28 1,-0.1 16,-2.4 15,-0.1 2,-0.5 0.880 67.7 56.7 -78.7 -42.1 -4.0 15.2 26.7 82 210 A Y E - C 0 96A 4 14,-0.2 -5,-2.7 15,-0.1 2,-0.5 -0.844 64.3-157.9-104.3 131.6 -1.3 15.8 29.3 83 211 A L E -BC 76 95A 2 12,-2.6 12,-3.1 -2,-0.5 2,-0.4 -0.890 9.4-165.9-105.1 126.3 2.2 14.4 29.2 84 212 A F E +BC 75 94A 2 -9,-3.2 -9,-2.5 -2,-0.5 2,-0.3 -0.941 7.6 179.2-115.5 130.8 4.2 14.3 32.5 85 213 A V E -BC 74 93A 0 8,-2.2 8,-2.1 -2,-0.4 2,-0.4 -0.957 8.6-162.3-128.2 149.9 7.9 13.7 32.7 86 214 A I E -BC 73 92A 0 -13,-1.3 -14,-3.0 -2,-0.3 -13,-0.8 -0.998 8.3-147.8-136.2 128.8 10.2 13.5 35.7 87 215 A G E > -B 71 0A 0 4,-2.4 3,-2.2 -2,-0.4 -16,-0.2 -0.536 32.9-105.1 -89.8 165.7 14.0 13.8 35.8 88 216 A R T 3 S+ 0 0 71 -19,-1.5 26,-2.2 -18,-0.8 -18,-0.1 0.776 119.8 61.3 -54.8 -33.7 16.4 12.1 38.2 89 217 A D T 3 S- 0 0 55 -20,-0.6 -1,-0.3 24,-0.2 22,-0.3 0.308 121.8-103.6 -78.0 2.6 16.8 15.5 39.9 90 218 A G S < S+ 0 0 0 -3,-2.2 20,-2.7 24,-0.3 2,-0.5 0.586 72.7 143.2 86.3 9.1 13.2 15.7 40.8 91 219 A K E - 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