==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-DEC-07 2JZA . COMPND 2 MOLECULE: NITRITE REDUCTASE [NAD(P)H] SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM ATROSEPTICUM SCRI1043; . AUTHOR B.SATHYAMOORTHY,A.ELETSKY,D.WANG,K.STOKES,L.OWENS,R.XIAO, . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 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 . 34 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 3.1 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 159 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.8 -19.6 -7.6 6.1 2 2 A S + 0 0 113 3,-0.0 105,-0.0 0, 0.0 0, 0.0 0.667 360.0 2.9-115.8 -71.4 -21.1 -7.9 2.6 3 3 A Q S S+ 0 0 106 2,-0.1 105,-1.6 106,-0.0 2,-0.7 0.075 101.9 118.2-106.1 22.0 -18.7 -7.0 -0.2 4 4 A W E -A 107 0A 58 103,-0.2 2,-0.4 101,-0.1 103,-0.2 -0.816 48.2-162.7 -98.0 112.3 -15.9 -6.4 2.3 5 5 A T E -A 106 0A 34 101,-2.3 101,-2.3 -2,-0.7 2,-0.2 -0.783 22.1-114.9 -99.1 137.9 -12.9 -8.7 1.8 6 6 A T E -A 105 0A 65 -2,-0.4 99,-0.3 99,-0.2 3,-0.1 -0.502 27.1-175.3 -71.1 131.6 -10.3 -9.2 4.5 7 7 A V E - 0 0 20 97,-3.1 2,-0.3 1,-0.4 -1,-0.2 0.917 55.6 -48.5 -87.4 -70.5 -6.8 -7.9 3.5 8 8 A C E -A 104 0A 50 96,-0.5 96,-1.6 13,-0.0 -1,-0.4 -0.901 66.3 -69.2-154.4 178.5 -4.6 -9.0 6.4 9 9 A K E > -A 103 0A 117 -2,-0.3 4,-0.6 94,-0.2 94,-0.2 -0.563 34.1-135.6 -78.1 144.2 -4.4 -9.0 10.2 10 10 A L T >4 S+ 0 0 16 92,-2.7 3,-0.7 -2,-0.2 -1,-0.1 0.877 105.1 52.0 -63.8 -37.8 -3.9 -5.6 11.9 11 11 A D T 34 S+ 0 0 126 91,-0.5 -1,-0.2 1,-0.3 92,-0.1 0.825 101.0 59.2 -73.4 -32.9 -1.2 -7.0 14.2 12 12 A D T 34 S+ 0 0 95 2,-0.1 2,-0.8 1,-0.0 -1,-0.3 0.684 90.6 85.5 -69.5 -16.8 0.8 -8.5 11.4 13 13 A I S << S- 0 0 15 -3,-0.7 3,-0.1 -4,-0.6 4,-0.0 -0.785 83.6-134.6 -89.7 112.4 1.1 -5.0 10.0 14 14 A L > - 0 0 117 -2,-0.8 3,-0.9 1,-0.1 18,-0.3 -0.453 27.8-101.8 -68.1 133.7 4.1 -3.3 11.7 15 15 A P T 3 S+ 0 0 68 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 -0.288 109.0 23.6 -55.7 133.4 3.4 0.3 12.9 16 16 A G T 3 S+ 0 0 51 16,-3.2 2,-0.3 1,-0.3 43,-0.1 0.761 115.9 83.4 80.1 28.0 4.9 2.9 10.6 17 17 A T B < -C 32 0B 34 15,-1.2 15,-3.1 -3,-0.9 -1,-0.3 -0.856 48.5-177.5-150.2 177.1 4.8 0.4 7.7 18 18 A G - 0 0 2 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.676 4.0-168.5 174.2 130.0 2.6 -1.1 4.9 19 19 A V - 0 0 74 11,-0.3 11,-1.5 -2,-0.2 2,-0.3 -0.834 27.8-105.3-125.0 162.4 2.9 -3.7 2.2 20 20 A C E -D 29 0C 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.630 29.9-168.9 -87.5 144.6 0.8 -4.8 -0.8 21 21 A A E -D 28 0C 24 7,-2.2 7,-2.2 -2,-0.3 2,-1.4 -0.970 32.8-110.4-128.4 148.3 -1.3 -7.9 -0.9 22 22 A L E -D 27 0C 118 -2,-0.3 2,-1.1 5,-0.2 5,-0.2 -0.655 38.6-170.2 -77.3 94.6 -3.0 -9.5 -3.8 23 23 A V E > -D 26 0C 8 3,-2.1 3,-2.3 -2,-1.4 2,-2.1 -0.766 54.3 -70.8 -95.1 94.4 -6.6 -8.8 -2.8 24 24 A E T 3 S- 0 0 119 -2,-1.1 3,-0.1 1,-0.3 -2,-0.1 -0.354 120.6 -8.1 64.2 -79.2 -8.8 -10.9 -5.2 25 25 A Q T 3 S+ 0 0 92 -2,-2.1 89,-0.4 1,-0.2 2,-0.3 0.575 129.3 52.9-120.3 -21.3 -8.2 -8.9 -8.4 26 26 A Q E < S-D 23 0C 19 -3,-2.3 -3,-2.1 87,-0.1 2,-0.4 -0.905 75.6-119.3-127.4 146.4 -6.3 -5.8 -7.2 27 27 A Q E -D 22 0C 61 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.717 33.6-171.4 -82.7 130.0 -3.1 -5.2 -5.2 28 28 A I E -D 21 0C 1 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.4 -0.985 11.8-151.2-127.7 133.3 -3.7 -3.1 -2.1 29 29 A A E -DE 20 42C 0 13,-3.2 13,-2.0 -2,-0.4 2,-0.7 -0.841 10.2-144.9-103.8 140.8 -1.2 -1.6 0.3 30 30 A V E - E 0 41C 6 -11,-1.5 2,-0.5 -2,-0.4 -11,-0.3 -0.863 6.9-157.1-114.3 101.6 -2.0 -1.1 4.0 31 31 A F E - E 0 40C 2 9,-3.4 9,-2.5 -2,-0.7 -13,-0.2 -0.635 7.9-170.2 -73.4 118.1 -0.5 2.0 5.6 32 32 A R B +C 17 0B 8 -15,-3.1 -16,-3.2 -2,-0.5 -15,-1.2 -0.903 11.4 172.2-111.5 103.5 -0.3 1.5 9.4 33 33 A P + 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.966 66.3 2.3 -70.4 -55.1 0.6 4.8 11.0 34 34 A R S S- 0 0 178 4,-0.4 -18,-0.2 -19,-0.1 0, 0.0 -0.566 87.1 -87.1-123.0-175.0 0.2 3.8 14.7 35 35 A N S S+ 0 0 120 -2,-0.2 -25,-0.0 -20,-0.1 -3,-0.0 0.265 94.4 111.3 -79.2 12.7 -0.7 0.7 16.7 36 36 A D S S- 0 0 61 2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.143 80.5-119.2 -76.1 178.6 -4.3 1.8 16.2 37 37 A E S S+ 0 0 98 2,-0.1 2,-1.1 1,-0.0 -1,-0.1 0.672 87.5 98.0 -92.7 -22.8 -6.9 -0.1 14.1 38 38 A Q + 0 0 148 2,-0.0 -4,-0.4 61,-0.0 2,-0.2 -0.568 53.5 155.6 -72.7 99.0 -7.4 2.8 11.8 39 39 A V - 0 0 9 -2,-1.1 2,-0.5 -7,-0.1 -7,-0.2 -0.615 43.3-117.0-115.0 178.9 -5.2 2.0 8.8 40 40 A Y E -E 31 0C 44 -9,-2.5 -9,-3.4 -2,-0.2 2,-0.9 -0.899 25.6-179.0-126.0 101.2 -5.2 3.0 5.2 41 41 A A E +E 30 0C 1 -2,-0.5 54,-0.4 -11,-0.3 2,-0.3 -0.823 28.3 139.3-102.8 96.5 -5.6 0.2 2.7 42 42 A I E -E 29 0C 4 -13,-2.0 -13,-3.2 -2,-0.9 2,-1.4 -0.800 62.9 -91.0-131.3 171.7 -5.5 1.7 -0.8 43 43 A S B +F 93 0D 25 50,-2.6 50,-1.4 -2,-0.3 2,-0.4 -0.682 60.4 146.4 -88.6 87.2 -4.1 0.9 -4.2 44 44 A N + 0 0 0 -2,-1.4 2,-0.4 48,-0.2 10,-0.4 -0.765 18.4 146.4-124.4 82.4 -0.7 2.6 -4.0 45 45 A I - 0 0 34 -2,-0.4 7,-0.2 7,-0.1 -2,-0.0 -0.934 44.9-131.0-122.1 141.6 1.7 0.5 -6.0 46 46 A D >> - 0 0 2 5,-1.8 4,-3.1 -2,-0.4 3,-1.9 -0.833 12.8-144.4 -93.4 124.0 4.7 1.6 -8.1 47 47 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.585 100.0 55.6 -64.4 -10.2 4.6 0.0 -11.6 48 48 A F T 34 S+ 0 0 188 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.601 120.9 26.7 -95.1 -13.1 8.4 -0.3 -11.5 49 49 A A T <4 S- 0 0 45 -3,-1.9 3,-0.1 2,-0.2 -1,-0.1 0.631 85.7-142.8-121.6 -26.5 8.5 -2.3 -8.3 50 50 A Q S < S+ 0 0 82 -4,-3.1 2,-0.2 1,-0.3 -5,-0.0 0.584 73.3 87.8 68.4 12.6 5.1 -4.0 -8.2 51 51 A A S > S- 0 0 34 -5,-0.5 -5,-1.8 -32,-0.0 2,-1.6 -0.764 98.9 -85.6-133.2 177.0 5.1 -3.4 -4.5 52 52 A S G >> S+ 0 0 8 -2,-0.2 3,-1.5 1,-0.2 4,-1.2 -0.195 71.9 133.9 -81.6 47.7 4.1 -0.8 -1.9 53 53 A V G 34 S+ 0 0 46 -2,-1.6 -1,-0.2 1,-0.3 19,-0.1 0.763 73.7 55.3 -70.2 -21.5 7.4 1.1 -2.3 54 54 A L G <4 S+ 0 0 0 -3,-0.5 -1,-0.3 -10,-0.4 3,-0.2 0.536 108.5 49.5 -82.5 -9.2 5.3 4.2 -2.5 55 55 A S T <4 S+ 0 0 1 -3,-1.5 -2,-0.2 -11,-0.2 -1,-0.2 0.615 99.7 62.7-102.6 -18.9 3.7 3.2 0.8 56 56 A R S < S+ 0 0 182 -4,-1.2 -1,-0.1 -39,-0.1 -2,-0.1 0.138 87.3 101.9 -94.3 19.9 7.0 2.5 2.7 57 57 A G S S- 0 0 18 -3,-0.2 2,-1.0 1,-0.1 13,-0.2 0.228 91.4 -46.0 -82.0-151.4 8.0 6.1 2.3 58 58 A I E -G 69 0E 102 11,-2.0 11,-2.9 2,-0.0 2,-0.9 -0.739 52.5-163.2 -90.4 103.8 7.8 8.9 4.9 59 59 A V E +G 68 0E 46 -2,-1.0 2,-0.3 9,-0.2 9,-0.2 -0.783 37.6 127.0 -88.1 104.1 4.5 8.7 6.6 60 60 A A E -G 67 0E 49 7,-2.4 7,-3.0 -2,-0.9 2,-0.6 -0.892 65.1 -80.7-148.4 175.1 4.1 12.1 8.3 61 61 A E E -G 66 0E 135 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.775 33.9-178.5 -88.4 119.4 1.8 15.1 8.7 62 62 A H S S- 0 0 82 3,-0.9 -1,-0.2 -2,-0.6 4,-0.1 0.825 76.9 -34.7 -86.1 -33.4 2.1 17.5 5.8 63 63 A Q S S- 0 0 153 2,-0.5 -2,-0.1 0, 0.0 3,-0.1 0.309 123.2 -23.6-150.9 -65.1 -0.3 20.0 7.1 64 64 A D S S+ 0 0 128 2,-0.0 2,-0.2 0, 0.0 -3,-0.1 0.501 120.3 47.8-134.3 -22.8 -3.3 18.7 9.0 65 65 A D S S- 0 0 50 -5,-0.1 -3,-0.9 1,-0.0 2,-0.6 -0.452 93.0 -76.5-119.7-174.6 -3.7 15.1 7.8 66 66 A L E +G 61 0E 53 -5,-0.2 13,-2.2 -2,-0.2 14,-0.3 -0.785 51.0 175.4 -94.1 120.1 -1.6 12.0 7.2 67 67 A W E -GH 60 78E 16 -7,-3.0 -7,-2.4 -2,-0.6 2,-0.5 -0.880 24.2-138.7-121.9 153.4 0.5 12.1 4.1 68 68 A V E -GH 59 77E 1 9,-3.0 9,-2.2 -2,-0.3 2,-0.7 -0.962 13.2-144.9-114.3 122.5 3.1 9.8 2.6 69 69 A A E -GH 58 76E 15 -11,-2.9 -11,-2.0 -2,-0.5 7,-0.2 -0.786 22.4-127.9 -85.5 114.4 6.2 11.3 1.0 70 70 A S - 0 0 0 5,-1.8 4,-0.4 -2,-0.7 -16,-0.1 -0.435 8.7-150.4 -63.5 128.0 7.3 9.2 -1.9 71 71 A P S S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -17,-0.1 0.823 95.0 23.5 -67.7 -31.4 10.9 8.1 -1.7 72 72 A L S S+ 0 0 114 -19,-0.1 -2,-0.1 3,-0.1 -18,-0.0 0.883 134.8 30.5 -99.9 -56.3 11.3 8.0 -5.5 73 73 A K S S- 0 0 87 1,-0.1 2,-0.5 2,-0.1 3,-0.1 0.680 85.0-153.1 -84.1 -19.9 8.6 10.3 -7.0 74 74 A K + 0 0 113 -4,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.115 44.7 139.0 72.7 -23.0 8.6 12.6 -3.9 75 75 A Q - 0 0 59 -2,-0.5 -5,-1.8 -6,-0.1 2,-0.8 -0.157 57.9-119.0 -50.0 145.9 5.0 13.6 -4.6 76 76 A H E -H 69 0E 49 -7,-0.2 9,-3.2 -3,-0.1 2,-0.6 -0.813 27.4-163.1-100.2 105.7 3.0 13.9 -1.3 77 77 A F E -HI 68 84E 2 -9,-2.2 -9,-3.0 -2,-0.8 2,-0.6 -0.757 16.1-137.5 -89.6 122.3 0.1 11.5 -1.3 78 78 A R E >> -H 67 0E 84 5,-1.4 4,-2.5 -2,-0.6 3,-1.5 -0.737 23.7-132.9 -76.4 122.2 -2.7 12.1 1.3 79 79 A L T 34 S+ 0 0 1 -13,-2.2 -1,-0.1 -2,-0.6 -12,-0.1 0.822 98.8 31.4 -51.4 -49.8 -3.3 8.6 2.6 80 80 A Y T 34 S+ 0 0 133 -14,-0.3 -1,-0.3 1,-0.1 14,-0.1 0.507 125.1 47.7 -89.3 -2.6 -7.1 8.6 2.5 81 81 A D T <4 S- 0 0 69 -3,-1.5 13,-0.2 2,-0.1 -2,-0.2 0.884 81.2-149.8-103.2 -60.9 -7.3 10.9 -0.5 82 82 A G < + 0 0 1 -4,-2.5 10,-1.5 1,-0.4 -3,-0.1 0.135 51.0 125.0 109.7 -19.8 -4.9 9.7 -3.2 83 83 A F - 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