==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-DEC-05 2FGX . COMPND 2 MOLECULE: PUTATIVE THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR A.ELETSKY,G.LIU,A.YEE,C.H.ARROWSMITH,T.SZYPERSKI,NORTHEAST . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 0 0.0 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 . 9 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 233 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.6 1.7 31.9 3.1 2 2 A N + 0 0 163 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.774 360.0 164.0-109.7 156.3 0.7 28.5 1.9 3 3 A N - 0 0 148 -2,-0.3 2,-0.0 0, 0.0 0, 0.0 -0.717 33.9-124.5-171.6 114.5 2.8 25.3 1.6 4 4 A Q - 0 0 181 -2,-0.2 2,-0.0 1,-0.1 -2,-0.0 -0.334 33.9-120.2 -63.9 145.8 1.5 21.7 1.3 5 5 A V - 0 0 125 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.185 36.5 -76.4 -81.6 176.5 2.8 19.3 3.9 6 6 A E - 0 0 162 1,-0.1 -1,-0.2 -2,-0.0 0, 0.0 -0.479 53.8-116.1 -77.0 146.0 4.9 16.2 3.5 7 7 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 30,-0.1 -0.111 20.5-107.1 -81.4 173.9 3.0 13.1 2.2 8 8 A R - 0 0 97 28,-0.3 2,-0.2 76,-0.1 57,-0.1 -0.849 31.4-125.8-103.7 140.5 2.4 9.7 3.8 9 9 A K - 0 0 37 -2,-0.4 55,-2.7 55,-0.1 2,-0.4 -0.555 19.1-151.3 -86.7 147.0 4.2 6.7 2.6 10 10 A L E -A 63 0A 0 27,-2.9 30,-1.1 53,-0.2 2,-0.4 -0.965 6.7-164.6-122.2 137.7 2.5 3.5 1.5 11 11 A V E -Ab 62 40A 7 51,-2.3 51,-3.9 -2,-0.4 2,-0.6 -0.946 8.8-150.5-119.3 139.6 3.7 -0.1 1.6 12 12 A V E -Ab 61 41A 2 28,-3.2 30,-1.9 -2,-0.4 2,-0.4 -0.942 12.4-150.7-110.9 114.0 2.3 -3.1 -0.2 13 13 A Y E +Ab 60 42A 28 47,-2.4 47,-1.7 -2,-0.6 2,-0.2 -0.689 38.5 126.9 -82.3 132.6 2.7 -6.4 1.6 14 14 A G E - b 0 43A 0 28,-2.7 30,-2.8 -2,-0.4 31,-0.5 -0.833 48.2-115.0-159.6-163.6 3.0 -9.4 -0.7 15 15 A R - 0 0 103 1,-0.3 6,-0.1 -2,-0.2 28,-0.1 -0.886 64.9 -32.6-157.5 121.4 5.0 -12.5 -1.7 16 16 A E S S- 0 0 142 -2,-0.3 2,-1.1 1,-0.1 -1,-0.3 0.012 104.5 -32.1 61.9-171.4 6.8 -13.3 -4.9 17 17 A G S S+ 0 0 80 -3,-0.1 2,-0.4 4,-0.1 -1,-0.1 -0.696 72.0 170.4 -85.2 98.1 5.7 -12.0 -8.3 18 18 A C > - 0 0 49 -2,-1.1 4,-1.9 1,-0.1 3,-0.2 -0.875 37.1-134.7-108.1 142.4 1.9 -11.9 -8.2 19 19 A H H > S+ 0 0 156 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.909 106.3 55.7 -60.3 -44.4 -0.2 -10.3 -10.9 20 20 A L H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 54,-0.3 0.857 106.5 52.5 -58.4 -35.2 -2.4 -8.4 -8.4 21 21 A C H > S+ 0 0 5 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.959 111.3 45.6 -62.5 -50.0 0.7 -6.9 -7.0 22 22 A E H X S+ 0 0 110 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.898 112.8 50.6 -59.7 -44.1 1.8 -5.7 -10.4 23 23 A E H X S+ 0 0 119 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.903 113.0 45.5 -62.3 -42.7 -1.7 -4.4 -11.2 24 24 A M H X S+ 0 0 4 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.878 109.7 55.4 -69.1 -38.0 -1.7 -2.4 -7.9 25 25 A I H X S+ 0 0 42 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.949 109.6 46.4 -56.9 -48.9 1.8 -1.2 -8.5 26 26 A A H X S+ 0 0 53 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.900 113.1 50.6 -59.5 -41.2 0.6 0.2 -11.9 27 27 A S H X S+ 0 0 44 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.928 113.6 43.5 -61.4 -46.7 -2.4 1.7 -10.1 28 28 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.812 108.4 58.6 -72.6 -31.3 -0.3 3.3 -7.4 29 29 A R H < S+ 0 0 135 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.886 108.4 46.6 -63.6 -39.0 2.3 4.5 -10.0 30 30 A V H >X S+ 0 0 76 -4,-1.8 3,-1.2 -5,-0.2 4,-0.6 0.921 112.9 48.9 -65.9 -44.9 -0.5 6.4 -11.7 31 31 A L H >X S+ 0 0 46 -4,-2.0 4,-3.9 1,-0.3 3,-1.4 0.857 99.6 67.0 -62.7 -35.6 -1.7 7.8 -8.3 32 32 A Q H 3< S+ 0 0 13 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.711 93.6 60.7 -58.7 -21.4 1.9 8.8 -7.5 33 33 A K H <4 S+ 0 0 169 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.811 117.3 29.1 -74.7 -30.9 1.5 11.3 -10.3 34 34 A K H << S+ 0 0 169 -3,-1.4 2,-0.4 -4,-0.6 -2,-0.2 0.856 139.7 14.4 -91.2 -46.5 -1.4 13.0 -8.5 35 35 A S S < S- 0 0 24 -4,-3.9 2,-0.3 -5,-0.1 -1,-0.3 -0.975 75.0-138.9-138.5 115.9 -0.4 12.2 -4.9 36 36 A W + 0 0 135 -2,-0.4 -28,-0.3 -3,-0.2 -4,-0.1 -0.611 39.6 146.0 -78.6 131.9 3.1 11.0 -3.9 37 37 A F - 0 0 2 -2,-0.3 -27,-2.9 -9,-0.1 27,-0.1 0.187 52.4-124.9-145.5 13.8 3.2 8.2 -1.3 38 38 A E - 0 0 89 -29,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.051 21.3-111.1 57.6 179.9 6.2 6.2 -2.4 39 39 A L + 0 0 48 -30,-0.1 2,-0.5 -3,-0.0 -28,-0.2 -0.845 34.4 170.5-152.0 114.7 6.0 2.5 -3.2 40 40 A E E -b 11 0A 92 -30,-1.1 -28,-3.2 -2,-0.3 2,-0.6 -0.981 15.2-160.3-129.6 120.3 7.5 -0.3 -1.1 41 41 A V E -b 12 0A 66 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.893 14.2-169.1-101.3 116.9 6.8 -4.0 -1.7 42 42 A I E -b 13 0A 53 -30,-1.9 -28,-2.7 -2,-0.6 2,-0.5 -0.912 20.9-127.0-114.2 130.1 7.6 -6.1 1.3 43 43 A N E > -b 14 0A 94 -2,-0.5 4,-0.7 -30,-0.2 3,-0.3 -0.612 19.8-175.3 -75.0 119.5 7.7 -9.9 1.4 44 44 A I T 4 S+ 0 0 2 -30,-2.8 7,-0.5 -2,-0.5 6,-0.2 0.630 70.3 85.5 -88.1 -15.5 5.6 -11.3 4.2 45 45 A D T 4 S+ 0 0 93 -31,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.853 95.6 42.6 -54.8 -37.3 6.7 -14.9 3.4 46 46 A G T 4 S+ 0 0 56 -3,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.951 108.3 61.0 -71.9 -51.1 9.8 -14.3 5.6 47 47 A N >X - 0 0 97 -4,-0.7 4,-1.9 1,-0.2 3,-0.9 -0.638 63.9-176.2 -82.0 93.8 7.9 -12.5 8.4 48 48 A E H 3> S+ 0 0 153 -2,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.709 81.5 66.9 -65.9 -18.9 5.5 -15.1 9.6 49 49 A H H 3> S+ 0 0 132 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.919 105.0 42.2 -62.6 -43.4 4.1 -12.4 11.9 50 50 A L H <> S+ 0 0 23 -3,-0.9 4,-3.0 2,-0.2 5,-0.5 0.866 112.6 53.8 -70.7 -36.9 2.9 -10.6 8.8 51 51 A T H < S+ 0 0 30 -4,-1.9 -2,-0.2 -7,-0.5 -1,-0.2 0.864 104.6 55.3 -64.4 -34.8 1.7 -13.8 7.3 52 52 A R H < S+ 0 0 183 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.9 43.5 -64.3 -35.7 -0.3 -14.4 10.5 53 53 A L H < S- 0 0 100 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.944 139.2 -0.2 -72.6 -51.0 -1.9 -11.1 9.9 54 54 A Y S >< S+ 0 0 17 -4,-3.0 3,-1.9 1,-0.1 2,-1.5 0.873 72.0 144.7-108.6 -64.2 -2.6 -11.3 6.2 55 55 A N T 3 S+ 0 0 93 -5,-0.5 3,-0.2 1,-0.3 -3,-0.1 -0.380 90.2 20.3 55.4 -85.4 -1.4 -14.6 4.6 56 56 A D T 3 S+ 0 0 93 -2,-1.5 2,-1.4 1,-0.2 -1,-0.3 0.791 120.1 64.1 -84.1 -29.3 -4.2 -15.0 2.0 57 57 A R S < S+ 0 0 141 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.1 -0.542 78.5 139.2 -95.3 66.9 -5.2 -11.4 2.0 58 58 A V + 0 0 18 -2,-1.4 15,-1.2 -3,-0.2 -44,-0.2 0.449 32.0 77.3 -85.7-122.7 -2.0 -10.0 0.7 59 59 A P S S+ 0 0 5 0, 0.0 2,-0.4 0, 0.0 -45,-0.2 0.776 76.7 176.6 -10.3 66.4 -1.3 -7.3 -1.8 60 60 A V E -A 13 0A 7 -47,-1.7 -47,-2.4 12,-0.2 2,-0.9 -0.644 31.5-142.1 -91.7 127.0 -2.1 -5.2 1.2 61 61 A L E -AC 12 71A 0 10,-2.0 9,-2.7 -2,-0.4 10,-1.2 -0.756 23.5-165.5 -91.2 103.7 -1.8 -1.5 1.1 62 62 A F E -AC 11 69A 20 -51,-3.9 -51,-2.3 -2,-0.9 2,-0.8 -0.733 17.0-130.2 -95.6 136.9 -0.4 -0.4 4.4 63 63 A A E >>> -AC 10 68A 0 5,-3.4 4,-2.0 -2,-0.4 5,-1.2 -0.772 22.7-159.6 -90.5 109.3 -0.5 3.2 5.6 64 64 A V T 345S+ 0 0 35 -55,-2.7 -55,-0.1 -2,-0.8 5,-0.0 -0.574 77.1 35.4 -85.7 153.7 2.9 4.4 6.8 65 65 A N T 345S+ 0 0 109 -2,-0.2 -1,-0.2 -57,-0.1 -55,-0.0 0.693 127.2 47.1 71.7 22.1 3.1 7.4 9.1 66 66 A E T <45S- 0 0 87 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.305 97.7-137.7-157.4 -39.4 -0.1 6.1 10.5 67 67 A D T <5 + 0 0 130 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.978 59.1 106.8 70.0 60.1 0.5 2.4 11.0 68 68 A K E < -C 63 0A 92 -5,-1.2 -5,-3.4 0, 0.0 2,-0.3 -0.980 69.9-101.7-156.6 158.7 -2.8 0.8 9.8 69 69 A E E +C 62 0A 96 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.667 33.1 172.7 -82.9 139.1 -4.1 -1.2 6.8 70 70 A L E - 0 0 33 -9,-2.7 2,-0.2 1,-0.4 -1,-0.2 0.770 59.5 -13.5-105.2 -64.5 -6.1 0.7 4.2 71 71 A C E -C 61 0A 4 -10,-1.2 -10,-2.0 8,-0.0 -1,-0.4 -0.664 55.6-154.2-132.1-177.1 -6.8 -1.6 1.3 72 72 A H - 0 0 74 2,-0.4 -12,-0.2 -12,-0.3 4,-0.2 -0.735 54.7 -18.8-144.4-170.3 -5.7 -4.9 -0.1 73 73 A Y S S+ 0 0 63 -15,-1.2 -1,-0.2 -2,-0.2 -52,-0.1 -0.110 120.6 38.7 -39.7 134.0 -5.5 -6.8 -3.5 74 74 A F S S- 0 0 137 -54,-0.3 -2,-0.4 -3,-0.1 -53,-0.0 0.881 102.7-108.6 73.3 95.8 -7.8 -5.1 -5.9 75 75 A L - 0 0 38 1,-0.2 3,-0.1 -4,-0.1 -2,-0.1 -0.276 24.8-163.8 -60.3 128.6 -7.5 -1.4 -5.3 76 76 A D - 0 0 82 -4,-0.2 2,-2.9 1,-0.1 -1,-0.2 0.818 14.8-174.3 -78.8 -32.7 -10.5 0.2 -3.6 77 77 A S > + 0 0 62 1,-0.2 4,-2.4 4,-0.0 5,-0.2 -0.241 68.9 74.8 70.0 -51.3 -9.2 3.6 -4.6 78 78 A D H > S+ 0 0 129 -2,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.916 96.2 46.6 -56.4 -48.0 -12.0 5.4 -2.7 79 79 A V H > S+ 0 0 61 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.946 116.5 41.2 -64.2 -51.7 -10.4 4.7 0.7 80 80 A I H > S+ 0 0 1 1,-0.2 4,-3.7 2,-0.2 5,-0.5 0.808 112.4 58.6 -69.0 -25.9 -6.9 5.7 -0.2 81 81 A G H X S+ 0 0 38 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.932 108.1 43.9 -64.3 -44.7 -8.4 8.7 -2.0 82 82 A A H < S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.740 122.7 42.1 -67.9 -24.5 -10.1 9.8 1.1 83 83 A Y H < S+ 0 0 36 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.938 117.8 36.9 -87.9 -57.1 -6.9 9.1 3.0 84 84 A L H < 0 0 36 -4,-3.7 -3,-0.2 1,-0.1 -2,-0.1 0.886 360.0 360.0 -71.9 -39.8 -4.0 10.4 0.8 85 85 A S < 0 0 115 -4,-1.3 -1,-0.1 -5,-0.5 -50,-0.1 -0.893 360.0 360.0-158.8 360.0 -5.7 13.5 -0.7