==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-AUG-01 1GJQ . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.NURIZZO,K.BROWN,M.TEGONI,C.CAMBILLAU . 1080 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 706 65.4 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 . 341 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 87 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 4 6 0 4 0 0 4 0 0 0 2 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 2 9 16 18 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 . 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 3 A D 0 0 139 0, 0.0 4,-0.2 0, 0.0 623,-0.2 0.000 360.0 360.0 360.0-166.5 36.0 16.6 58.8 2 4 A M > - 0 0 135 621,-0.3 3,-1.3 1,-0.1 4,-0.4 0.757 360.0 -54.9 -6.5 168.9 37.6 13.8 60.6 3 5 A K T 3> S+ 0 0 90 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.297 110.4 67.1 -30.5 -27.9 38.5 10.1 60.8 4 6 A A H >> S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 3,-1.0 0.945 104.3 45.2 -69.7 -49.3 35.1 8.3 60.5 5 7 A A H <> S+ 0 0 25 -3,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.605 106.8 62.7 -70.9 -13.1 34.6 9.4 56.9 6 8 A E H 34 S+ 0 0 27 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.718 106.8 41.1 -85.0 -24.5 38.2 8.4 56.2 7 9 A Q H X< S+ 0 0 81 -3,-1.0 3,-0.8 -4,-0.6 4,-0.2 0.662 105.2 65.7 -93.1 -24.0 37.6 4.7 57.0 8 10 A Y H 3< S+ 0 0 47 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.877 116.4 28.2 -65.9 -37.9 34.2 4.7 55.2 9 11 A Q T 3< S+ 0 0 49 -4,-0.8 -1,-0.2 1,-0.2 579,-0.2 0.035 95.3 105.4-111.9 25.4 36.1 5.3 51.9 10 12 A G < + 0 0 31 -3,-0.8 -1,-0.2 577,-0.1 -2,-0.1 0.573 53.7 99.9 -83.2 -11.4 39.2 3.5 53.1 11 13 A A S S- 0 0 47 -3,-0.3 576,-0.2 -4,-0.2 2,-0.1 -0.328 79.8 -94.4 -76.2 159.1 38.7 0.4 51.1 12 14 A A - 0 0 45 1,-0.1 571,-0.2 574,-0.1 2,-0.2 -0.322 38.5-105.4 -72.8 151.8 40.5 -0.4 47.8 13 15 A S - 0 0 17 569,-2.9 -1,-0.1 2,-0.1 724,-0.1 -0.491 20.0-130.2 -75.0 145.8 39.0 0.3 44.4 14 16 A A S S+ 0 0 31 722,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.613 79.4 107.7 -71.9 -11.6 37.7 -2.7 42.4 15 17 A V S S- 0 0 4 567,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.514 75.4-127.2 -71.0 128.4 39.8 -1.5 39.4 16 18 A D > - 0 0 83 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.695 9.5-148.7 -79.1 120.4 42.8 -3.6 38.7 17 19 A P G > S+ 0 0 22 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.875 96.2 64.3 -57.0 -35.9 45.9 -1.3 38.6 18 20 A A G 3 S+ 0 0 75 1,-0.3 561,-0.0 -3,-0.1 -2,-0.0 0.662 100.7 51.0 -62.6 -19.5 47.5 -3.7 36.1 19 21 A H G < S+ 0 0 121 -3,-1.5 2,-0.7 2,-0.1 -1,-0.3 0.443 86.8 89.7 -99.4 -5.1 44.7 -2.9 33.6 20 22 A V S < S- 0 0 0 -3,-1.6 2,-0.3 -4,-0.3 633,-0.1 -0.875 76.8-142.0 -95.8 110.6 45.0 0.9 33.8 21 23 A V B -A 653 0A 88 632,-1.9 632,-1.7 -2,-0.7 2,-0.4 -0.662 10.6-142.1 -90.8 135.6 47.6 1.8 31.1 22 24 A R - 0 0 102 -2,-0.3 2,-0.4 630,-0.2 553,-0.0 -0.688 26.8-133.4 -84.9 133.4 50.4 4.4 31.0 23 25 A T + 0 0 59 -2,-0.4 2,-0.2 627,-0.1 627,-0.1 -0.779 52.8 77.6 -99.5 135.3 50.8 6.0 27.6 24 26 A N + 0 0 94 -2,-0.4 85,-0.0 84,-0.1 -2,-0.0 -0.820 8.2 129.4 155.7-179.8 54.2 6.4 25.8 25 27 A G + 0 0 65 1,-0.3 -1,-0.1 -2,-0.2 84,-0.0 0.513 58.5 145.1 111.8 26.4 57.0 4.8 23.8 26 28 A A - 0 0 12 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.629 59.1 -87.9 -94.8 152.8 56.6 7.7 21.3 27 29 A P - 0 0 37 0, 0.0 81,-0.1 0, 0.0 -1,-0.1 -0.421 47.9-109.9 -66.2 128.2 59.3 9.4 19.3 28 30 A D + 0 0 153 -2,-0.2 2,-0.3 -3,-0.0 77,-0.0 -0.341 45.3 171.9 -59.6 124.7 61.0 12.3 21.1 29 31 A M - 0 0 10 -2,-0.1 -3,-0.0 -3,-0.1 5,-0.0 -0.993 27.5-121.1-140.2 135.0 60.0 15.6 19.6 30 32 A S > - 0 0 64 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.101 33.8 -98.5 -66.6 171.8 60.7 19.2 20.9 31 33 A E H > S+ 0 0 156 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 124.7 48.3 -59.3 -43.3 58.1 21.9 21.7 32 34 A S H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 114.0 47.2 -65.8 -38.3 58.6 23.6 18.4 33 35 A E H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.850 113.2 47.8 -72.4 -36.9 58.3 20.3 16.5 34 36 A F H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.879 114.0 46.9 -71.2 -41.9 55.2 19.2 18.5 35 37 A N H X S+ 0 0 75 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.790 108.9 54.2 -72.4 -27.8 53.5 22.6 17.9 36 38 A E H X S+ 0 0 87 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.893 114.1 42.4 -71.0 -39.1 54.3 22.6 14.2 37 39 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.892 111.3 53.5 -73.0 -42.7 52.7 19.2 13.8 38 40 A K H X S+ 0 0 12 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.818 107.6 53.8 -62.8 -30.7 49.7 20.1 16.1 39 41 A Q H X S+ 0 0 78 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.941 109.8 45.5 -68.6 -48.6 49.1 23.2 13.8 40 42 A I H X>S+ 0 0 13 -4,-1.5 4,-3.1 1,-0.2 5,-0.6 0.895 109.1 59.1 -62.5 -40.2 49.0 21.0 10.7 41 43 A Y H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-1.9 0.892 110.1 38.6 -56.9 -51.4 46.7 18.5 12.4 42 44 A F H <5S+ 0 0 5 -4,-1.7 511,-2.7 3,-0.2 -1,-0.2 0.723 120.0 48.4 -75.9 -18.3 43.9 21.0 13.2 43 45 A Q H <5S+ 0 0 88 -4,-1.4 -2,-0.2 509,-0.2 -1,-0.2 0.832 133.1 9.0 -86.1 -37.1 44.3 22.7 9.8 44 46 A R H <5S+ 0 0 81 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.670 132.1 32.5-119.5 -23.2 44.4 19.6 7.7 45 47 A C T X< - 0 0 2 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.1 0.162 22.8 -86.0 86.6 155.5 38.3 14.0 15.1 51 53 A V T 3 S+ 0 0 3 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.836 130.5 38.6 -64.5 -35.0 39.7 16.3 17.7 52 54 A L T 3 S- 0 0 26 -6,-0.1 -1,-0.2 59,-0.1 -2,-0.1 0.280 109.4-121.7-100.2 5.1 40.6 13.4 20.0 53 55 A R S < S+ 0 0 2 -3,-0.8 8,-2.4 -7,-0.1 9,-0.2 0.671 74.5 127.1 60.8 24.9 41.7 11.1 17.2 54 56 A K S S- 0 0 101 6,-0.2 -4,-0.1 7,-0.1 -1,-0.1 0.547 76.0-101.1 -86.4 -4.2 39.2 8.3 18.0 55 57 A G + 0 0 10 -6,-1.7 4,-0.2 4,-0.2 -6,-0.2 0.301 47.1 174.2 93.5 137.5 38.0 8.4 14.4 56 58 A A S S- 0 0 11 -8,-1.0 -7,-0.2 2,-0.9 -8,-0.1 0.034 87.5 -14.3-134.0-113.4 35.1 9.8 12.4 57 59 A T S S+ 0 0 60 -9,-0.4 -8,-0.2 -10,-0.3 2,-0.1 0.908 137.7 63.1 -62.9 -36.0 35.0 9.5 8.6 58 60 A G S S- 0 0 15 -10,-2.8 -2,-0.9 1,-0.1 3,-0.1 -0.399 99.1 -96.7 -87.3 161.2 38.7 8.6 9.1 59 61 A K - 0 0 153 -4,-0.2 -4,-0.2 1,-0.1 -3,-0.2 -0.176 53.8 -76.7 -71.7 160.6 40.2 5.7 11.0 60 62 A P - 0 0 54 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.453 36.8-171.2 -64.8 132.1 41.3 5.8 14.7 61 63 A L + 0 0 31 -8,-2.4 -7,-0.1 -12,-0.3 -6,-0.0 -0.155 35.9 140.6-114.3 37.9 44.7 7.6 15.1 62 64 A T >> - 0 0 25 -9,-0.2 4,-2.0 1,-0.1 3,-1.1 -0.441 67.0-106.0 -79.6 145.6 45.1 6.7 18.8 63 65 A P H 3> S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.782 116.2 62.5 -41.9 -39.1 48.6 5.6 20.1 64 66 A D H 3> S+ 0 0 108 1,-0.2 4,-0.6 2,-0.2 44,-0.0 0.905 113.4 33.8 -58.1 -40.9 47.7 1.9 20.4 65 67 A I H <> S+ 0 0 55 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.914 119.6 48.3 -82.6 -46.5 47.1 1.7 16.6 66 68 A T H X S+ 0 0 1 -4,-2.0 4,-1.8 41,-0.3 8,-0.2 0.844 110.6 49.0 -66.4 -38.7 49.8 4.2 15.3 67 69 A Q H < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.801 110.4 54.0 -70.4 -28.2 52.7 2.8 17.4 68 70 A Q H < S+ 0 0 155 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.886 107.4 50.2 -70.6 -41.7 51.7 -0.7 16.2 69 71 A R H < S- 0 0 100 -4,-1.8 4,-0.4 1,-0.1 -2,-0.2 0.898 108.0-142.8 -64.6 -40.0 51.9 0.6 12.5 70 72 A G X - 0 0 25 -4,-1.8 4,-1.9 1,-0.1 3,-0.2 0.061 24.7 -72.7 91.1 156.9 55.4 2.1 13.2 71 73 A Q H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.852 127.7 47.6 -51.9 -46.1 57.1 5.2 11.9 72 74 A Q H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 109.1 51.3 -68.2 -39.1 57.7 4.0 8.3 73 75 A Y H > S+ 0 0 99 -4,-0.4 4,-2.5 -3,-0.2 5,-0.2 0.938 112.1 48.7 -61.6 -50.9 54.1 2.7 7.7 74 76 A L H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.908 110.1 50.2 -56.7 -44.6 52.7 6.0 8.9 75 77 A E H X S+ 0 0 32 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.890 112.1 48.8 -63.1 -39.1 55.0 8.1 6.7 76 78 A A H X S+ 0 0 43 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.901 112.4 46.6 -69.0 -41.5 54.1 6.0 3.6 77 79 A L H X S+ 0 0 55 -4,-2.5 4,-2.2 2,-0.2 12,-0.2 0.889 112.4 49.0 -70.7 -38.5 50.3 6.2 4.2 78 80 A I H < S+ 0 0 20 -4,-2.4 11,-1.4 -5,-0.2 12,-0.6 0.893 114.4 49.5 -68.0 -32.6 50.4 10.0 4.8 79 81 A T H < S+ 0 0 29 -4,-1.7 12,-2.2 -5,-0.2 11,-1.8 0.973 127.0 18.3 -69.4 -58.0 52.5 10.4 1.6 80 82 A Y H < S- 0 0 158 -4,-2.5 8,-0.2 1,-0.2 -3,-0.2 0.696 90.6-159.0 -91.4 -20.5 50.4 8.3 -0.9 81 83 A G < - 0 0 14 -4,-2.2 -1,-0.2 -5,-0.4 7,-0.1 -0.382 21.0 -92.1 73.5-159.3 47.0 8.1 0.9 82 84 A T - 0 0 56 4,-2.0 3,-0.4 -2,-0.1 4,-0.2 -0.893 23.4-112.0-146.1 166.4 44.4 5.4 0.0 83 85 A P S S+ 0 0 132 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.567 102.1 78.5 -82.4 -5.2 41.5 5.2 -2.5 84 86 A L S S- 0 0 162 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 -0.120 126.6 -65.0 -95.2 37.3 38.9 5.1 0.4 85 87 A G S S+ 0 0 40 -3,-0.4 -1,-0.1 1,-0.2 -27,-0.0 0.436 96.2 124.4 100.1 -0.8 38.9 8.8 1.3 86 88 A M - 0 0 36 -4,-0.2 -4,-2.0 -6,-0.0 -1,-0.2 -0.848 55.8-132.8 -98.3 112.0 42.4 9.4 2.5 87 89 A P - 0 0 30 0, 0.0 2,-1.3 0, 0.0 -6,-0.2 -0.227 14.5-116.2 -64.1 150.2 44.2 12.2 0.6 88 90 A N > + 0 0 52 -8,-0.2 4,-1.7 1,-0.2 6,-0.4 -0.696 34.5 176.5 -87.7 85.8 47.7 12.0 -0.7 89 91 A W T 4>S+ 0 0 34 -11,-1.4 6,-2.9 -2,-1.3 5,-0.8 0.773 79.7 32.4 -64.2 -26.2 49.6 14.6 1.3 90 92 A G T >45S+ 0 0 21 -11,-1.8 3,-0.6 -12,-0.6 -10,-0.2 0.844 115.4 52.4 -99.0 -41.7 53.0 13.8 -0.2 91 93 A S T 345S+ 0 0 73 -12,-2.2 -2,-0.2 1,-0.2 -11,-0.1 0.901 112.5 47.4 -61.5 -40.9 52.2 12.7 -3.8 92 94 A S T 3<5S- 0 0 68 -4,-1.7 -1,-0.2 -13,-0.3 -2,-0.1 0.572 112.2-125.3 -75.6 -12.1 50.2 15.9 -4.4 93 95 A G T < 5S+ 0 0 58 -3,-0.6 -3,-0.2 -14,-0.2 -4,-0.1 0.745 72.3 129.8 71.8 25.3 53.1 17.9 -2.8 94 96 A E S - 0 0 44 -2,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.392 27.4-111.5 -76.3 159.2 56.8 18.3 2.7 97 99 A K H > S+ 0 0 156 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.767 120.8 53.4 -61.4 -25.5 58.7 15.1 3.5 98 100 A E H > S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.794 108.9 47.8 -78.6 -33.7 59.9 16.8 6.7 99 101 A Q H > S+ 0 0 53 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.878 108.5 54.2 -74.4 -39.3 56.3 17.7 7.7 100 102 A I H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.836 107.2 51.8 -63.8 -34.4 55.0 14.2 7.1 101 103 A T H X S+ 0 0 35 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.914 109.2 49.4 -70.1 -41.4 57.7 12.8 9.4 102 104 A L H X S+ 0 0 17 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.883 111.3 50.3 -64.0 -38.7 56.6 15.3 12.2 103 105 A M H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.874 108.4 51.7 -66.7 -38.9 53.0 14.2 11.6 104 106 A A H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 113.5 44.5 -66.5 -35.9 54.0 10.5 11.9 105 107 A K H >< S+ 0 0 58 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.828 111.8 54.7 -76.1 -34.5 55.8 11.2 15.2 106 108 A Y H >< S+ 0 0 1 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.917 102.0 53.4 -65.6 -52.3 52.9 13.3 16.4 107 109 A I T 3< S+ 0 0 8 -4,-2.2 -41,-0.3 1,-0.3 -1,-0.2 0.544 100.4 65.3 -65.1 -4.9 50.1 10.8 16.0 108 110 A Q T < S+ 0 0 12 -3,-0.6 -1,-0.3 -4,-0.2 2,-0.2 0.481 93.5 76.8 -93.1 -7.8 52.2 8.4 18.0 109 111 A H S < S- 0 0 18 -3,-2.1 -43,-0.1 1,-0.1 -85,-0.0 -0.542 101.5 -81.0 -96.4 167.2 51.8 10.6 21.1 110 112 A T - 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