==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAR-07 2P80 . COMPND 2 MOLECULE: COPPER-CONTAINING NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR M.D.VLASIE,M.UBBINK . 1130 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 753 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 253 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 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 . 141 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 3 5 5 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 7 0 7 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 . 18 7 9 4 4 4 3 6 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 . 9 6 4 7 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 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 5 A T > 0 0 108 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 180.0 -4.6 11.5 68.1 2 6 A A H > + 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 360.0 51.1 -66.4 -43.7 -1.7 9.2 69.2 3 7 A A H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.916 109.0 52.2 -61.3 -39.9 -3.3 6.0 67.8 4 8 A E H > S+ 0 0 123 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.945 110.3 47.0 -62.7 -45.9 -3.8 7.8 64.4 5 9 A I H >< S+ 0 0 35 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.929 113.0 49.2 -63.3 -42.2 -0.1 8.8 64.2 6 10 A A H 3< S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.758 107.9 55.5 -69.8 -22.0 1.0 5.3 65.1 7 11 A A H 3< S+ 0 0 79 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.605 79.8 112.3 -87.5 -9.4 -1.3 3.8 62.5 8 12 A L S << S- 0 0 39 -3,-0.8 25,-0.1 -4,-0.7 2,-0.1 -0.390 79.5-102.9 -64.3 139.7 0.1 5.8 59.5 9 13 A P - 0 0 72 0, 0.0 25,-1.1 0, 0.0 2,-0.4 -0.387 30.6-144.9 -64.5 132.5 2.1 3.6 57.0 10 14 A R E -a 34 0A 87 23,-0.2 2,-0.4 -2,-0.1 25,-0.2 -0.819 18.9-176.1 -99.7 134.8 5.9 3.8 57.3 11 15 A Q E -a 35 0A 105 23,-2.3 25,-2.6 -2,-0.4 2,-0.3 -0.973 16.1-144.4-136.6 124.6 7.8 3.6 54.0 12 16 A K E -a 36 0A 159 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.602 16.3-161.9 -85.3 145.2 11.6 3.5 53.5 13 17 A V - 0 0 30 23,-2.2 25,-0.4 -2,-0.3 2,-0.4 -0.990 15.6-131.3-131.8 134.8 13.1 5.2 50.5 14 18 A E - 0 0 179 -2,-0.4 9,-0.4 23,-0.1 2,-0.3 -0.647 27.1-140.6 -83.0 134.2 16.5 4.7 49.0 15 19 A L - 0 0 31 -2,-0.4 2,-0.2 23,-0.2 54,-0.1 -0.712 9.8-153.0 -98.5 150.8 18.3 8.0 48.4 16 20 A V - 0 0 58 -2,-0.3 6,-0.2 52,-0.2 52,-0.1 -0.445 26.9 -98.0-106.8-174.7 20.4 8.9 45.4 17 21 A D > - 0 0 79 -2,-0.2 3,-1.2 4,-0.1 49,-0.1 -0.886 58.6 -55.2-110.5 139.7 23.3 11.4 45.1 18 22 A P T 3 S+ 0 0 16 0, 0.0 3,-0.1 0, 0.0 156,-0.1 -0.002 113.6 28.1 -47.2 154.8 22.9 14.9 43.8 19 23 A P T 3 S+ 0 0 10 0, 0.0 154,-2.5 0, 0.0 155,-0.0 -0.989 113.6 70.9 -84.1 2.4 22.1 16.4 41.5 20 24 A F S < S- 0 0 125 -3,-1.2 48,-0.4 152,-0.2 2,-0.3 -0.081 71.6-140.1 -65.3 173.9 19.7 13.5 40.8 21 25 A V - 0 0 23 1,-0.1 -4,-0.1 150,-0.1 3,-0.1 -0.968 17.2-109.1-136.7 150.2 16.6 12.9 43.1 22 26 A H - 0 0 14 46,-0.6 2,-0.5 -2,-0.3 -1,-0.1 0.175 53.8 -71.0 -64.3-166.6 15.2 9.6 44.4 23 27 A A + 0 0 91 -9,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.796 69.0 140.5 -95.4 128.0 11.8 8.3 43.1 24 28 A H - 0 0 57 -2,-0.5 2,-0.4 -3,-0.1 47,-0.1 -0.985 44.4-118.0-157.6 163.8 8.7 10.2 44.2 25 29 A S - 0 0 27 -2,-0.3 4,-0.1 1,-0.2 132,-0.1 -0.879 14.4-139.9-110.8 141.2 5.3 11.3 42.8 26 30 A Q S S+ 0 0 35 -2,-0.4 131,-0.5 142,-0.1 -1,-0.2 0.996 95.7 51.9 -60.6 -68.4 4.4 15.0 42.5 27 31 A V S S- 0 0 73 129,-0.2 129,-0.2 1,-0.1 128,-0.1 -0.442 107.4-105.6 -66.4 135.0 0.8 14.4 43.7 28 32 A A - 0 0 17 127,-2.6 2,-0.8 126,-0.2 -1,-0.1 -0.364 26.8-140.3 -64.1 140.1 0.8 12.5 47.0 29 33 A E - 0 0 149 -4,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.869 68.9 -14.2-105.4 106.8 -0.2 8.8 46.6 30 34 A G S S- 0 0 54 -2,-0.8 3,-0.1 3,-0.0 -2,-0.0 -0.448 100.3 -55.6 95.5-174.0 -2.3 7.8 49.6 31 35 A G S S- 0 0 35 1,-0.2 -2,-0.1 -2,-0.1 44,-0.0 -0.064 86.8 -38.6 -88.1-164.0 -2.7 9.7 52.8 32 36 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.224 64.5-178.1 -57.0 141.2 0.0 10.9 55.2 33 37 A K - 0 0 41 -25,-0.1 2,-0.8 -3,-0.1 43,-0.5 -0.994 33.3-114.8-148.5 141.0 2.9 8.5 55.7 34 38 A V E -a 10 0A 0 -25,-1.1 -23,-2.3 -2,-0.3 2,-0.4 -0.612 35.1-154.0 -76.2 108.0 6.1 8.4 57.8 35 39 A V E -ab 11 77A 10 41,-2.5 43,-3.0 -2,-0.8 2,-0.5 -0.692 6.3-153.5 -86.8 131.4 8.9 8.4 55.3 36 40 A E E +ab 12 78A 32 -25,-2.6 -23,-2.2 -2,-0.4 2,-0.3 -0.922 19.3 168.3-113.7 129.1 12.0 6.8 56.5 37 41 A F E - b 0 79A 3 41,-2.3 43,-1.9 -2,-0.5 2,-0.4 -0.989 15.4-158.1-135.6 143.7 15.5 7.7 55.2 38 42 A T E - b 0 80A 73 -25,-0.4 2,-0.4 -2,-0.3 -23,-0.2 -0.978 10.5-179.9-126.9 131.1 18.9 6.8 56.6 39 43 A M E - b 0 81A 0 41,-1.6 43,-1.7 -2,-0.4 2,-0.4 -0.981 15.2-151.3-133.7 129.5 22.2 8.6 55.9 40 44 A V E - b 0 82A 48 -2,-0.4 21,-1.8 41,-0.2 22,-0.5 -0.772 21.4-130.8 -96.5 137.5 25.7 7.9 57.2 41 45 A I E -E 60 0B 0 41,-2.5 2,-0.5 -2,-0.4 19,-0.2 -0.706 21.0-166.2 -89.8 137.2 28.0 10.8 57.6 42 46 A E E -E 59 0B 81 17,-2.7 17,-1.1 -2,-0.4 2,-0.8 -0.938 8.8-161.0-128.2 117.2 31.5 10.5 56.1 43 47 A E E +E 58 0B 36 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.807 37.5 136.6 -95.3 110.2 34.4 12.9 56.9 44 48 A K E -E 57 0B 91 13,-1.6 13,-2.2 -2,-0.8 2,-0.6 -0.884 56.2 -93.3-144.0 176.6 37.0 12.5 54.2 45 49 A K E -E 56 0B 110 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.835 40.9-179.9 -99.3 124.9 39.3 14.6 52.0 46 50 A I E -E 55 0B 39 9,-1.3 9,-2.4 -2,-0.6 2,-0.3 -0.941 26.1-124.0-124.6 146.0 38.0 15.6 48.5 47 51 A V E +E 54 0B 75 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.600 25.0 178.1 -85.5 145.0 39.6 17.6 45.8 48 52 A I + 0 0 0 5,-1.7 172,-0.6 -2,-0.3 2,-0.3 -0.048 57.8 43.6-141.8 37.9 37.7 20.6 44.6 49 53 A D S > S- 0 0 20 4,-0.3 3,-2.0 170,-0.1 4,-0.3 -0.904 82.6-108.3-175.2 146.5 39.9 22.4 42.0 50 54 A D T 3 S+ 0 0 109 1,-0.3 -1,-0.0 -2,-0.3 -3,-0.0 0.648 114.5 66.6 -59.6 -9.7 42.1 21.4 39.0 51 55 A A T 3 S- 0 0 74 2,-0.0 -1,-0.3 -3,-0.0 995,-0.0 0.343 119.3-104.5 -94.4 10.3 45.1 22.3 41.1 52 56 A G < + 0 0 24 -3,-2.0 -2,-0.1 1,-0.2 2,-0.0 0.740 58.9 168.7 77.9 20.9 44.6 19.4 43.6 53 57 A T - 0 0 4 -4,-0.3 -5,-1.7 1,-0.0 2,-0.4 -0.391 18.6-155.9 -64.8 142.6 43.2 21.7 46.4 54 58 A E E -E 47 0B 53 -7,-0.2 2,-0.4 136,-0.2 -7,-0.2 -0.974 15.9-170.1-129.3 138.2 41.7 19.5 49.1 55 59 A V E -E 46 0B 18 -9,-2.4 -9,-1.3 -2,-0.4 2,-1.2 -0.964 31.3-122.1-127.1 122.1 39.0 20.2 51.8 56 60 A H E -E 45 0B 32 -2,-0.4 -11,-0.3 -11,-0.2 2,-0.2 -0.381 42.6-155.6 -60.0 94.6 38.2 17.9 54.7 57 61 A A E -E 44 0B 2 -13,-2.2 -13,-1.6 -2,-1.2 2,-0.6 -0.525 17.5-155.5 -80.8 145.8 34.6 17.5 53.8 58 62 A M E -E 43 0B 1 86,-1.2 2,-0.5 -15,-0.2 -15,-0.2 -0.979 29.2-177.8-116.6 111.0 31.9 16.5 56.3 59 63 A A E > -E 42 0B 1 -17,-1.1 -17,-2.7 -2,-0.6 3,-1.1 -0.950 31.4-140.0-130.5 134.6 29.2 15.0 54.2 60 64 A F E > S+E 41 0B 0 -2,-0.5 3,-1.0 85,-0.4 -19,-0.2 -0.686 100.1 4.0 -82.3 123.5 25.9 13.6 54.9 61 65 A N T 3 S- 0 0 35 -21,-1.8 -1,-0.3 -2,-0.5 -20,-0.2 0.712 124.6 -77.6 74.8 16.2 25.5 10.4 52.7 62 66 A G T < S+ 0 0 13 -3,-1.1 2,-0.4 -22,-0.5 -1,-0.2 0.728 109.4 99.2 66.7 19.2 29.1 10.8 51.5 63 67 A T S < S- 0 0 30 -3,-1.0 -3,-0.3 82,-0.1 -1,-0.1 -0.963 72.2-113.8-143.8 133.1 28.1 13.6 49.1 64 68 A V S S+ 0 0 12 -2,-0.4 84,-0.1 153,-0.3 2,-0.1 -0.902 108.5 31.1-105.5 119.4 28.3 17.5 49.1 65 69 A P S S- 0 0 0 0, 0.0 83,-0.2 0, 0.0 -1,-0.2 0.527 107.1-118.4 -86.9 157.1 25.7 18.6 49.1 66 70 A G - 0 0 0 81,-1.1 2,-0.2 79,-0.2 -5,-0.1 0.157 47.0 -78.5 -40.6 174.4 23.8 15.9 51.0 67 71 A P - 0 0 1 0, 0.0 2,-0.7 0, 0.0 82,-0.4 -0.495 42.8-111.7 -81.8 149.6 21.0 14.2 49.0 68 72 A L - 0 0 4 -48,-0.4 -46,-0.6 -2,-0.2 2,-0.3 -0.711 29.1-157.5 -85.9 118.2 17.6 15.9 48.5 69 73 A M E -f 150 0C 1 -2,-0.7 82,-2.6 80,-0.6 2,-0.5 -0.693 8.5-158.9 -91.5 142.9 14.8 14.0 50.4 70 74 A V E +f 151 0C 7 -2,-0.3 2,-0.2 80,-0.2 82,-0.2 -0.945 23.8 146.4-132.5 121.7 11.3 14.5 49.1 71 75 A V E -f 152 0C 4 80,-1.3 82,-2.4 -2,-0.5 2,-0.2 -0.777 41.9-103.9-135.4 178.9 8.0 14.0 51.0 72 76 A H E > -f 153 0C 13 80,-0.3 3,-0.9 -2,-0.2 50,-0.2 -0.594 46.4 -79.6-105.2 170.7 4.6 15.8 50.9 73 77 A Q T 3 S+ 0 0 49 80,-1.4 50,-0.2 1,-0.2 3,-0.1 -0.466 118.7 23.9 -69.0 134.2 3.1 18.2 53.3 74 78 A D T 3 S+ 0 0 42 48,-3.9 -1,-0.2 1,-0.4 49,-0.1 -0.113 96.0 113.0 101.2 -37.5 1.7 16.5 56.3 75 79 A D < - 0 0 11 -3,-0.9 47,-2.3 47,-0.1 2,-0.5 -0.325 66.7-126.7 -66.4 150.9 3.9 13.4 55.9 76 80 A Y E - C 0 121A 12 -43,-0.5 -41,-2.5 45,-0.2 2,-0.5 -0.861 12.1-142.9-104.7 132.2 6.5 12.9 58.7 77 81 A L E -bC 35 120A 1 43,-2.2 43,-2.0 -2,-0.5 2,-0.6 -0.792 16.0-172.6 -94.2 125.8 10.2 12.5 57.8 78 82 A E E -bC 36 119A 22 -43,-3.0 -41,-2.3 -2,-0.5 2,-0.6 -0.956 6.6-174.7-121.3 109.8 12.0 10.0 60.0 79 83 A L E -bC 37 118A 7 39,-2.2 39,-1.6 -2,-0.6 2,-0.8 -0.909 17.3-155.9-116.6 121.9 15.7 10.0 59.4 80 84 A T E -bC 38 117A 22 -43,-1.9 -41,-1.6 -2,-0.6 2,-0.3 -0.778 20.6-167.0 -90.8 110.6 18.2 7.6 61.1 81 85 A L E -bC 39 116A 1 35,-1.3 35,-1.3 -2,-0.8 2,-0.4 -0.716 2.2-164.1 -98.9 149.2 21.6 9.3 61.0 82 86 A I E -bC 40 115A 44 -43,-1.7 -41,-2.5 -2,-0.3 33,-0.2 -0.978 13.1-163.7-139.5 128.2 24.7 7.4 61.7 83 87 A N E - C 0 114A 1 31,-1.8 30,-2.7 -2,-0.4 31,-1.1 -0.881 28.0-135.0-113.2 99.6 28.2 8.7 62.6 84 88 A P > - 0 0 32 0, 0.0 3,-1.0 0, 0.0 30,-0.1 -0.046 16.7-117.8 -50.9 150.8 30.7 5.9 62.1 85 89 A E T 3 S+ 0 0 157 27,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.811 111.7 69.2 -63.8 -26.0 33.4 5.3 64.8 86 90 A T T 3 S+ 0 0 112 2,-0.0 -1,-0.2 0, 0.0 -44,-0.0 0.862 84.1 86.8 -62.1 -32.3 36.0 6.1 62.1 87 91 A N < - 0 0 13 -3,-1.0 3,-0.1 -46,-0.1 -4,-0.0 -0.180 65.3-156.6 -62.9 162.5 34.9 9.8 62.1 88 92 A T + 0 0 89 1,-0.1 2,-0.4 23,-0.0 -1,-0.1 0.306 65.5 68.4-125.6 9.1 36.5 12.1 64.7 89 93 A L S S- 0 0 35 22,-0.0 2,-0.1 106,-0.0 -1,-0.1 -0.984 75.3-124.4-133.4 134.4 33.9 14.9 65.2 90 94 A M - 0 0 40 -2,-0.4 21,-0.2 21,-0.1 2,-0.1 -0.475 36.7-177.2 -71.4 140.9 30.4 14.9 66.7 91 95 A H B -H 110 0D 0 19,-1.7 19,-0.8 -2,-0.1 2,-0.2 -0.309 13.6-172.0-119.6-155.1 27.7 16.1 64.3 92 96 A N - 0 0 3 17,-0.2 2,-0.4 -2,-0.1 41,-0.2 -0.855 20.0-122.8 169.1 158.5 23.9 16.8 64.3 93 97 A I - 0 0 2 11,-0.4 2,-0.6 -2,-0.2 39,-0.2 -0.970 15.8-173.0-129.1 130.0 21.2 17.7 61.8 94 98 A D E -I 131 0E 4 37,-1.6 37,-1.4 -2,-0.4 2,-0.7 -0.935 11.1-159.4-119.6 110.4 18.9 20.8 61.8 95 99 A F E > -I 130 0E 2 8,-3.0 3,-2.6 -2,-0.6 35,-0.2 -0.784 11.9-151.0 -93.7 115.1 16.2 20.7 59.1 96 100 A H T 3 S+ 0 0 2 33,-1.1 -1,-0.2 -2,-0.7 34,-0.1 0.817 96.5 65.0 -50.8 -30.6 14.7 24.2 58.4 97 101 A A T 3 S+ 0 0 9 6,-0.1 26,-0.5 -3,-0.1 27,-0.3 0.417 93.3 77.7 -77.6 6.9 11.5 22.4 57.4 98 102 A A S < S- 0 0 1 -3,-2.6 2,-0.4 24,-0.1 493,-0.1 -0.664 71.5-139.3-110.0 169.2 11.0 21.1 61.0 99 103 A T + 0 0 8 564,-0.3 493,-0.2 -2,-0.2 22,-0.1 -0.916 62.4 28.4-134.6 113.3 9.7 23.0 64.1 100 104 A G S > S+ 0 0 0 491,-1.3 4,-0.8 -2,-0.4 491,-0.1 -0.007 93.2 47.3 117.8 138.2 11.3 22.6 67.6 101 105 A A H >>>S- 0 0 16 530,-0.3 5,-1.7 1,-0.2 3,-1.2 0.940 127.2 -60.9 69.9 46.6 14.8 21.7 69.0 102 106 A L H >45S- 0 0 56 488,-0.3 3,-0.6 1,-0.3 489,-0.3 0.862 106.5 -49.1 50.1 34.9 16.8 24.1 66.8 103 107 A G H 345S- 0 0 0 1,-0.2 -8,-3.0 487,-0.2 -1,-0.3 0.787 111.0 -49.5 77.6 25.4 15.4 22.2 63.7 104 108 A G H X<5S+ 0 0 0 -3,-1.2 3,-0.7 -4,-0.8 -11,-0.4 0.360 115.0 110.9 95.1 -8.3 16.3 18.8 65.2 105 109 A G G X<5S+ 0 0 3 -4,-0.7 3,-1.1 -3,-0.6 4,-0.2 0.873 73.3 57.3 -68.9 -34.0 20.0 19.7 66.1 106 110 A G G 3 - 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