==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JAN-00 1DY7 . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR T.SJOGREN,M.SVENSSON-EK,J.HAJDU,P.BRZEZINSKI . 970 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 68.6 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 . 338 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 95 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.0 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 4 3 0 3 0 0 1 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 . 3 6 0 10 22 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 1 134 A P 0 0 133 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.0 21.2 16.1 54.2 2 135 A P - 0 0 103 0, 0.0 105,-0.1 0, 0.0 2,-0.1 -0.367 360.0-132.9 -68.6 143.9 18.9 19.0 53.2 3 136 A E - 0 0 67 -2,-0.1 2,-0.2 695,-0.1 103,-0.1 -0.363 9.1-151.2 -85.7 169.6 15.1 18.7 53.4 4 137 A F + 0 0 36 -2,-0.1 2,-0.1 101,-0.1 103,-0.0 -0.698 30.6 158.1-149.2 87.8 12.8 19.8 50.5 5 138 A G > - 0 0 4 -2,-0.2 4,-2.7 693,-0.1 692,-0.2 -0.110 56.6 -66.2-101.8-162.8 9.4 20.9 51.7 6 139 A M H > S+ 0 0 12 690,-2.6 4,-2.9 689,-0.3 5,-0.3 0.860 127.3 53.4 -59.4 -42.7 6.5 23.1 50.6 7 140 A K H > S+ 0 0 135 688,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.943 113.6 44.0 -59.0 -45.1 8.4 26.4 50.7 8 141 A E H > S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.888 114.5 48.8 -65.6 -43.2 11.2 24.9 48.5 9 142 A M H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 95,-0.4 0.943 111.3 49.3 -64.4 -44.8 8.8 23.3 46.1 10 143 A R H >< S+ 0 0 100 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.883 107.1 55.9 -63.8 -31.8 6.7 26.5 45.7 11 144 A E H 3< S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 112.4 42.4 -69.2 -31.8 9.8 28.5 45.1 12 145 A S H 3< S+ 0 0 24 -4,-1.4 2,-0.5 -3,-0.4 -1,-0.3 0.522 93.0 107.5 -87.3 -11.9 10.7 26.1 42.2 13 146 A W << + 0 0 59 -4,-0.8 2,-0.4 -3,-0.7 90,-0.2 -0.588 42.6 171.8 -78.3 118.5 7.1 26.0 40.9 14 147 A K E -A 102 0A 100 88,-2.3 88,-2.2 -2,-0.5 2,-0.7 -0.994 22.9-158.7-131.3 127.3 6.4 27.9 37.7 15 148 A V E +A 101 0A 56 -2,-0.4 86,-0.3 86,-0.2 3,-0.2 -0.931 12.6 178.5-103.2 105.8 3.3 28.0 35.6 16 149 A H S S+ 0 0 100 84,-1.5 2,-0.5 -2,-0.7 85,-0.2 0.842 76.8 24.6 -74.9 -40.3 4.3 29.1 32.1 17 150 A V S S- 0 0 31 83,-2.0 -1,-0.3 125,-0.0 5,-0.1 -0.946 84.4-138.9-128.8 108.2 0.9 28.8 30.6 18 151 A A > - 0 0 23 -2,-0.5 3,-2.0 -3,-0.2 4,-0.4 -0.341 27.3-110.1 -62.5 152.4 -2.1 29.1 33.0 19 152 A P G > S+ 0 0 40 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.899 118.0 57.0 -51.2 -42.9 -5.0 26.7 32.3 20 153 A E G 3 S+ 0 0 152 1,-0.3 -2,-0.0 4,-0.0 4,-0.0 0.697 105.8 51.7 -65.6 -17.7 -7.3 29.5 31.1 21 154 A D G < S+ 0 0 118 -3,-2.0 -1,-0.3 2,-0.1 -3,-0.1 0.376 93.9 92.4 -97.3 -0.1 -4.7 30.4 28.4 22 155 A R S < S- 0 0 13 -3,-1.9 -4,-0.0 -4,-0.4 72,-0.0 -0.556 87.8 -87.1 -90.2 162.2 -4.4 26.9 27.0 23 156 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 -0.166 20.0-146.2 -63.0 160.4 -6.4 25.5 24.2 24 157 A T S S+ 0 0 130 1,-0.1 2,-0.3 69,-0.1 -2,-0.0 0.297 85.8 22.4-108.4 3.8 -9.8 23.9 24.7 25 158 A Q S S- 0 0 131 68,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.951 106.5 -69.0-158.5 163.5 -9.2 21.4 21.9 26 159 A Q - 0 0 72 -2,-0.3 68,-0.2 1,-0.1 67,-0.1 -0.474 42.8-175.8 -62.6 124.9 -6.2 19.9 20.1 27 160 A E + 0 0 87 66,-3.2 2,-0.2 -2,-0.3 -1,-0.1 0.379 60.8 66.5-106.3 0.2 -4.6 22.7 18.0 28 161 A N S S- 0 0 20 65,-0.2 67,-0.1 64,-0.2 68,-0.1 -0.698 80.5-127.0-109.1 171.4 -1.9 20.7 16.2 29 162 A D + 0 0 143 -2,-0.2 66,-0.0 66,-0.2 -3,-0.0 0.099 63.1 129.7-104.8 18.7 -2.6 18.0 13.6 30 163 A W - 0 0 35 62,-0.2 2,-1.2 1,-0.1 3,-0.1 -0.291 68.0-118.7 -73.4 161.0 -0.5 15.3 15.3 31 164 A D > - 0 0 90 1,-0.2 3,-0.8 2,-0.1 20,-0.3 -0.800 38.5-177.3 -97.3 86.9 -1.7 11.8 16.0 32 165 A L G > S+ 0 0 12 -2,-1.2 3,-1.5 1,-0.3 394,-0.3 0.868 72.4 55.1 -62.6 -39.4 -1.3 12.2 19.8 33 166 A E G 3 S+ 0 0 77 1,-0.3 394,-2.1 393,-0.2 395,-0.3 0.754 110.8 47.0 -70.4 -19.3 -2.3 8.7 20.9 34 167 A N G < S+ 0 0 13 -3,-0.8 17,-0.6 392,-0.2 -1,-0.3 0.329 89.4 115.6-100.3 6.8 0.4 7.1 18.6 35 168 A L E < -E 50 0B 3 -3,-1.5 391,-2.8 -4,-0.3 2,-0.5 -0.451 56.1-144.6 -73.3 147.9 3.1 9.5 19.7 36 169 A F E -EF 49 425B 1 13,-2.4 13,-2.7 389,-0.2 2,-0.7 -0.964 1.1-150.1-112.8 130.2 6.2 8.2 21.5 37 170 A S E -EF 48 424B 1 387,-2.8 387,-1.6 -2,-0.5 2,-0.5 -0.903 22.8-168.4 -98.8 112.0 7.9 10.3 24.2 38 171 A V E -EF 47 423B 0 9,-3.1 9,-2.6 -2,-0.7 2,-0.4 -0.905 18.2-129.2-112.1 123.5 11.6 9.4 24.1 39 172 A T E -E 46 0B 0 383,-2.9 382,-1.9 -2,-0.5 2,-0.9 -0.603 9.9-163.6 -70.4 130.0 14.1 10.3 26.8 40 173 A L E >>> -EF 45 420B 1 5,-2.5 5,-1.6 -2,-0.4 3,-0.8 -0.841 24.3-166.8-109.4 81.4 17.3 11.9 25.4 41 174 A R G >45S+ 0 0 57 378,-2.1 24,-1.7 -2,-0.9 3,-1.3 0.868 70.7 31.5 -49.4 -65.5 19.0 11.2 28.7 42 175 A D G 345S+ 0 0 39 1,-0.3 -1,-0.3 22,-0.1 377,-0.1 0.604 114.1 62.8 -76.2 -8.6 22.3 13.1 28.9 43 176 A A G <45S- 0 0 40 -3,-0.8 -1,-0.3 375,-0.4 -2,-0.2 0.554 103.0-127.5 -87.4 -11.2 20.8 16.0 26.8 44 177 A G T <<5S+ 0 0 9 -3,-1.3 18,-2.8 -4,-0.7 2,-0.3 0.949 74.1 105.7 63.8 40.5 18.2 16.8 29.4 45 178 A Q E < -EG 40 61B 46 -5,-1.6 -5,-2.5 16,-0.3 2,-0.3 -0.914 58.5-143.5-139.8 169.8 15.6 16.6 26.7 46 179 A I E -EG 39 60B 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.4 -0.945 14.1-140.0-131.2 154.0 12.8 14.4 25.3 47 180 A A E -EG 38 59B 1 -9,-2.6 -9,-3.1 -2,-0.3 2,-0.6 -0.960 5.2-148.1-111.3 135.4 11.8 13.8 21.7 48 181 A L E -EG 37 58B 1 10,-2.8 9,-2.6 -2,-0.4 10,-1.3 -0.936 26.5-171.2 -99.7 112.8 8.2 13.5 20.6 49 182 A I E -EG 36 56B 0 -13,-2.7 -13,-2.4 -2,-0.6 2,-0.3 -0.916 26.9-117.0-118.5 130.6 8.2 11.0 17.7 50 183 A D E > -E 35 0B 21 5,-2.9 4,-1.7 -2,-0.4 -15,-0.2 -0.501 21.3-145.7 -63.1 122.8 5.3 10.1 15.3 51 184 A G T 4 S+ 0 0 0 -17,-0.6 -1,-0.2 -20,-0.3 -16,-0.1 0.658 93.5 35.2 -68.0 -18.8 4.6 6.4 15.8 52 185 A A T 4 S+ 0 0 59 -21,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.773 127.7 30.3-103.4 -39.4 3.7 5.9 12.2 53 186 A T T 4 S- 0 0 67 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.634 91.5-134.1 -96.4 -15.7 6.0 8.1 10.2 54 187 A Y < + 0 0 23 -4,-1.7 2,-0.2 1,-0.3 -3,-0.1 0.560 52.0 151.3 68.4 16.5 8.9 8.1 12.6 55 188 A E - 0 0 104 1,-0.1 -5,-2.9 -6,-0.1 2,-0.9 -0.537 51.9-126.0 -74.8 133.3 9.2 11.8 12.3 56 189 A I E -G 49 0B 28 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.743 28.5-174.6 -79.4 110.1 10.7 13.7 15.3 57 190 A K E - 0 0 62 -9,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.817 61.7 -10.5 -77.6 -31.8 7.9 16.2 15.8 58 191 A S E -G 48 0B 27 -10,-1.3 -10,-2.8 -3,-0.1 2,-0.4 -0.977 49.0-146.4-164.7 151.6 9.6 18.1 18.5 59 192 A V E -G 47 0B 35 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.999 28.6-166.9-123.4 120.9 12.6 18.1 20.9 60 193 A L E -G 46 0B 17 -14,-2.5 -14,-1.8 -2,-0.4 2,-0.2 -0.923 21.7-117.4-115.9 144.2 11.8 19.7 24.3 61 194 A D E +G 45 0B 114 -2,-0.4 -16,-0.3 -16,-0.2 2,-0.2 -0.533 45.1 156.7 -77.5 136.2 14.0 20.8 27.2 62 195 A T - 0 0 15 -18,-2.8 3,-0.1 -2,-0.2 25,-0.1 -0.720 47.7 -57.1-139.3-168.8 13.4 19.0 30.5 63 196 A G S > S- 0 0 3 23,-0.3 3,-0.6 -2,-0.2 -1,-0.2 -0.260 75.8 -76.9 -71.0 166.4 15.2 18.1 33.7 64 197 A Y T 3 S- 0 0 103 1,-0.2 19,-1.2 -20,-0.1 20,-0.6 -0.422 107.6 -1.9 -68.8 137.1 18.5 16.2 33.3 65 198 A A T 3 S- 0 0 1 -24,-1.7 18,-1.0 -25,-0.3 -1,-0.2 0.912 80.9-144.6 47.2 61.7 18.2 12.5 32.6 66 199 A V E < -B 82 0A 4 -3,-0.6 16,-0.3 -25,-0.3 356,-0.3 -0.227 8.3-158.6 -47.2 134.6 14.4 12.1 32.6 67 200 A H E - 0 0 85 14,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.870 63.7 -8.7 -90.7 -42.7 13.7 8.7 34.1 68 201 A I E -B 81 0A 24 13,-0.7 13,-1.3 354,-0.1 2,-0.4 -0.988 54.4-135.1-151.5 157.1 10.2 8.2 32.7 69 202 A S E -B 80 0A 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.938 24.0-174.0-105.8 140.3 7.4 9.8 30.9 70 203 A R E -B 79 0A 26 9,-2.8 9,-3.1 -2,-0.4 2,-0.4 -0.956 12.3-140.8-134.5 148.4 3.8 9.4 32.1 71 204 A L E -B 78 0A 0 -2,-0.3 43,-0.3 7,-0.2 7,-0.2 -0.882 19.7-114.2-110.1 145.5 0.5 10.5 30.5 72 205 A S > - 0 0 1 5,-2.7 3,-1.6 -2,-0.4 44,-0.1 -0.343 41.6-102.9 -66.6 161.5 -2.6 11.9 32.1 73 206 A A T 3 S+ 0 0 21 42,-0.5 -1,-0.1 1,-0.3 48,-0.1 0.750 122.9 51.9 -61.8 -26.8 -5.6 9.6 31.7 74 207 A S T 3 S- 0 0 50 3,-0.0 -1,-0.3 1,-0.0 356,-0.0 0.595 109.1-124.4 -83.4 -13.3 -7.1 11.8 28.9 75 208 A G S < S+ 0 0 5 -3,-1.6 -2,-0.1 2,-0.2 17,-0.1 0.445 84.4 106.4 83.3 3.4 -3.8 11.7 27.0 76 209 A R + 0 0 29 1,-0.1 16,-2.4 15,-0.1 2,-0.5 0.870 67.9 57.5 -80.2 -41.1 -3.6 15.5 26.9 77 210 A Y E - C 0 91A 5 14,-0.2 -5,-2.7 15,-0.1 2,-0.5 -0.833 63.1-158.7-106.9 129.0 -0.8 16.1 29.4 78 211 A L E -BC 71 90A 2 12,-2.4 12,-2.8 -2,-0.5 2,-0.4 -0.874 10.4-166.4-102.9 123.6 2.7 14.6 29.3 79 212 A F E +BC 70 89A 2 -9,-3.1 -9,-2.8 -2,-0.5 2,-0.3 -0.952 7.4 179.0-115.0 131.7 4.6 14.5 32.6 80 213 A V E -BC 69 88A 0 8,-2.4 8,-2.1 -2,-0.4 2,-0.4 -0.955 10.2-160.2-130.2 147.9 8.3 13.8 32.9 81 214 A I E -BC 68 87A 0 -13,-1.3 -14,-3.0 -2,-0.3 -13,-0.7 -0.996 10.1-144.9-129.8 130.5 10.6 13.7 35.9 82 215 A G E > -B 66 0A 0 4,-2.9 3,-2.3 -2,-0.4 -16,-0.2 -0.519 30.0-111.9 -84.6 159.3 14.4 14.0 35.9 83 216 A R T 3 S+ 0 0 70 -19,-1.2 26,-2.3 -18,-1.0 -18,-0.1 0.783 117.6 64.1 -64.9 -18.9 16.6 12.1 38.2 84 217 A D T 3 S- 0 0 52 -20,-0.6 -1,-0.3 24,-0.2 22,-0.2 0.411 123.6-101.4 -77.6 -8.7 17.4 15.5 39.9 85 218 A G S < S+ 0 0 0 -3,-2.3 20,-2.3 24,-0.3 2,-0.5 0.460 75.2 140.1 99.3 1.2 13.7 15.8 41.0 86 219 A K E - 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