==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 18-SEP-09 2WTO . COMPND 2 MOLECULE: ORF131 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA METALLIDURANS CH34; . AUTHOR I.HAERTLEIN,E.GIRARD,G.SARRET,J.HAZEMANN,P.GOURHANT,R.KAHN,J . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 20 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 13.0 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+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 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 13 A S > 0 0 116 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -77.9 14.0 17.5 9.3 2 14 A T H > + 0 0 127 1,-0.2 4,-1.2 2,-0.2 0, 0.0 0.848 360.0 47.0 -39.0 -48.1 17.3 17.9 11.2 3 15 A A H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.842 104.5 51.1 -67.2 -55.2 16.7 21.7 11.4 4 16 A T H > S+ 0 0 101 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.813 109.2 58.2 -45.0 -36.5 13.0 22.2 12.5 5 17 A A H X S+ 0 0 61 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.929 100.3 55.0 -66.8 -43.3 14.0 19.8 15.3 6 18 A Q H X S+ 0 0 131 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.865 109.5 48.5 -51.9 -42.4 16.8 22.1 16.4 7 19 A A H X S+ 0 0 57 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.905 110.7 46.8 -71.3 -42.6 14.2 24.9 16.7 8 20 A M H X S+ 0 0 124 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.813 109.9 56.2 -70.4 -26.7 11.7 23.0 18.6 9 21 A A H X S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.900 105.9 50.0 -68.0 -41.0 14.5 21.7 21.0 10 22 A K H X S+ 0 0 147 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.903 109.1 53.5 -65.1 -37.5 15.5 25.3 21.7 11 23 A R H X S+ 0 0 172 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.940 109.7 46.1 -60.2 -47.0 11.8 26.0 22.5 12 24 A H H >< S+ 0 0 74 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.929 110.9 53.8 -58.3 -44.2 11.7 23.1 25.0 13 25 A A H >< S+ 0 0 4 -4,-2.6 3,-2.3 59,-0.3 4,-0.4 0.870 97.1 66.2 -63.2 -34.9 14.9 24.2 26.6 14 26 A T H >< S+ 0 0 81 -4,-2.0 3,-0.9 1,-0.3 -1,-0.3 0.802 91.0 63.4 -59.4 -27.0 13.5 27.7 27.1 15 27 A L T << S+ 0 0 123 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.630 104.6 48.1 -68.4 -12.2 11.0 26.3 29.6 16 28 A Y T < S- 0 0 35 -3,-2.3 44,-2.2 1,-0.3 2,-0.3 0.344 121.1 -73.7-115.2 -0.0 13.9 25.3 31.8 17 29 A G E < -A 59 0A 2 -3,-0.9 -1,-0.3 -4,-0.4 42,-0.2 -0.969 52.9 -62.7 145.4-154.2 16.0 28.4 31.9 18 30 A D E -A 58 0A 101 40,-2.3 40,-3.4 -2,-0.3 -4,-0.0 -0.970 44.6 -96.2-139.9 144.0 18.4 30.7 30.0 19 31 A P E -A 57 0A 107 0, 0.0 2,-0.3 0, 0.0 38,-0.3 -0.283 48.6-166.8 -52.2 143.2 21.9 30.4 28.4 20 32 A A E -A 56 0A 29 36,-2.1 36,-0.7 26,-0.1 2,-0.4 -0.869 20.9-107.3-131.2 165.7 24.5 31.8 30.9 21 33 A G > - 0 0 41 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.766 24.6-126.2 -92.6 143.2 28.1 32.9 30.8 22 34 A Q G > S+ 0 0 105 -2,-0.4 3,-1.4 1,-0.3 25,-0.1 0.805 107.0 68.3 -51.3 -32.0 30.8 30.8 32.4 23 35 A S G 3 S+ 0 0 111 1,-0.3 -1,-0.3 33,-0.0 24,-0.0 0.643 101.5 46.7 -69.2 -12.1 31.9 33.8 34.4 24 36 A Q G < S+ 0 0 147 -3,-2.2 -1,-0.3 22,-0.0 2,-0.2 0.440 87.3 113.2-106.4 0.6 28.6 33.7 36.4 25 37 A A < - 0 0 25 -3,-1.4 21,-0.2 -4,-0.4 3,-0.1 -0.492 55.2-153.6 -79.0 140.5 28.6 29.9 37.1 26 38 A S S S+ 0 0 56 19,-2.5 2,-0.3 -2,-0.2 20,-0.2 0.558 78.7 4.6 -87.6 -11.3 29.0 28.7 40.7 27 39 A R - 0 0 17 18,-0.5 20,-2.6 102,-0.1 2,-0.5 -0.973 65.7-128.1-160.6 163.0 30.5 25.4 39.6 28 40 A I E -b 47 0A 50 -2,-0.3 2,-0.6 100,-0.2 20,-0.2 -0.983 21.2-152.3-118.8 125.6 31.7 23.5 36.5 29 41 A I E -b 48 0A 19 18,-3.6 20,-3.1 -2,-0.5 2,-0.4 -0.867 12.7-134.3-103.1 123.3 30.3 20.0 36.0 30 42 A D E -b 49 0A 44 -2,-0.6 2,-0.7 18,-0.2 20,-0.2 -0.600 15.0-148.3 -72.8 124.2 32.4 17.5 34.0 31 43 A V + 0 0 9 18,-3.2 20,-0.2 -2,-0.4 49,-0.1 -0.871 26.7 175.5 -99.8 111.8 30.2 15.7 31.5 32 44 A K > - 0 0 115 -2,-0.7 3,-2.2 18,-0.1 18,-0.0 -0.833 39.6 -85.4-120.6 151.3 31.6 12.2 31.0 33 45 A P T 3 S+ 0 0 131 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.285 115.5 22.6 -53.3 135.6 30.5 9.1 29.0 34 46 A G T 3 S+ 0 0 57 1,-0.3 -3,-0.0 2,-0.0 48,-0.0 0.195 83.1 141.1 91.1 -17.5 28.0 7.1 31.1 35 47 A M < - 0 0 45 -3,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.345 25.1-179.2 -58.4 140.1 26.9 10.0 33.3 36 48 A R - 0 0 169 1,-0.4 48,-2.7 47,-0.1 2,-0.3 0.728 52.0 -2.7-117.0 -37.8 23.1 9.7 33.9 37 49 A Y E -d 84 0B 52 46,-0.2 -1,-0.4 48,-0.1 2,-0.3 -0.995 43.4-166.7-153.8 163.2 22.1 12.6 36.1 38 50 A V E -d 85 0B 9 46,-1.6 48,-3.0 -2,-0.3 2,-0.5 -0.942 24.4-126.8-138.6 158.9 23.0 15.7 38.1 39 51 A N E +d 86 0B 14 -2,-0.3 2,-0.3 93,-0.3 93,-0.3 -0.945 30.0 173.5-109.3 128.1 21.0 17.8 40.6 40 52 A V E -d 87 0B 2 46,-3.0 48,-2.6 -2,-0.5 2,-0.3 -0.902 26.5-120.3-126.0 159.0 20.7 21.5 40.2 41 53 A D E > -d 88 0B 64 -2,-0.3 3,-2.1 46,-0.2 18,-0.3 -0.691 37.7 -93.5 -91.0 150.8 18.7 24.2 42.1 42 54 A S T 3 S+ 0 0 19 46,-0.7 19,-0.2 -2,-0.3 18,-0.2 -0.420 117.7 17.6 -51.1 133.1 16.0 26.4 40.6 43 55 A G T 3 S+ 0 0 29 16,-1.1 -1,-0.3 17,-0.7 2,-0.1 0.354 92.6 140.9 81.6 -7.5 18.0 29.6 39.7 44 56 A E < - 0 0 18 -3,-2.1 15,-2.7 16,-0.2 2,-0.6 -0.450 45.7-143.7 -69.7 138.6 21.4 28.0 39.8 45 57 A T E + C 0 58A 25 13,-0.2 -19,-2.5 -21,-0.2 -18,-0.5 -0.941 29.0 175.6-104.0 116.2 23.9 29.0 37.2 46 58 A V E - C 0 57A 0 11,-2.4 11,-2.0 -2,-0.6 2,-0.4 -0.966 22.9-146.0-128.3 133.5 26.0 25.9 36.3 47 59 A A E -bC 28 56A 0 -20,-2.6 -18,-3.6 -2,-0.4 2,-0.4 -0.802 12.4-154.9 -98.5 143.4 28.7 25.4 33.7 48 60 A F E -bC 29 55A 0 7,-2.7 7,-2.5 -2,-0.4 2,-0.4 -0.968 10.6-158.2-120.0 133.0 29.0 22.1 31.9 49 61 A R E +bC 30 54A 56 -20,-3.1 -18,-3.2 -2,-0.4 2,-0.4 -0.906 21.2 178.0-121.8 137.3 32.3 20.9 30.5 50 62 A A E > S- C 0 53A 18 3,-2.5 3,-2.5 -2,-0.4 2,-0.4 -0.960 78.7 -48.0-128.8 108.7 33.3 18.4 27.8 51 63 A G T 3 S- 0 0 54 -2,-0.4 -20,-0.1 1,-0.3 -2,-0.0 -0.502 123.5 -26.6 63.2-118.4 37.1 18.5 27.4 52 64 A E T 3 S+ 0 0 165 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.336 114.8 105.0-108.9 3.6 37.8 22.2 27.2 53 65 A K E < - C 0 50A 94 -3,-2.5 -3,-2.5 25,-0.1 2,-0.4 -0.753 51.3-172.7 -83.0 127.5 34.4 23.2 25.8 54 66 A I E + C 0 49A 38 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.986 10.2 179.5-127.6 129.3 32.3 24.9 28.5 55 67 A V E - 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0 0 4 -3,-2.0 -13,-3.2 -4,-0.1 2,-0.4 -0.805 57.2-149.9 -87.3 114.6 22.5 13.3 30.8 84 96 A R E -dE 37 69B 108 -48,-2.7 -46,-1.6 -2,-0.7 2,-0.6 -0.726 0.9-147.6 -92.3 131.3 19.3 14.2 32.7 85 97 A V E -dE 38 68B 0 -17,-3.4 -17,-1.6 -2,-0.4 2,-0.7 -0.868 6.3-153.3 -96.9 117.7 19.3 17.4 34.9 86 98 A Y E -dE 39 67B 83 -48,-3.0 -46,-3.0 -2,-0.6 2,-0.6 -0.805 11.9-159.5 -90.0 116.6 17.1 17.1 38.0 87 99 A I E -dE 40 66B 0 -21,-3.5 -21,-2.1 -2,-0.7 -46,-0.2 -0.881 11.2-135.2-104.3 120.6 16.0 20.6 38.9 88 100 A D E -d 41 0B 13 -48,-2.6 -46,-0.7 -2,-0.6 -26,-0.4 -0.404 34.4 -92.4 -71.4 145.7 14.8 21.2 42.5 89 101 A R - 0 0 82 1,-0.1 -47,-0.2 -48,-0.1 -26,-0.2 -0.220 46.7-102.7 -55.6 144.7 11.6 23.1 43.1 90 102 A S > - 0 0 4 -28,-3.4 3,-0.7 1,-0.1 -1,-0.1 -0.436 12.5-145.5 -73.7 141.7 11.9 26.9 43.6 91 103 A D T 3 S+ 0 0 115 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.426 87.9 83.3 -81.0 1.2 11.7 28.4 47.1 92 104 A L T 3 0 0 132 -30,-0.1 -1,-0.2 0, 0.0 -29,-0.1 0.589 360.0 360.0 -84.7 -8.5 10.0 31.5 45.6 93 105 A F < 0 0 158 -3,-0.7 -31,-0.0 -31,-0.2 -4,-0.0 -0.741 360.0 360.0 -90.7 360.0 6.5 29.9 45.5 94 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 14 B T > 0 0 131 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -51.4 42.8 11.0 67.6 96 15 B A H > + 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.879 360.0 49.4 -61.1 -34.5 41.0 7.7 67.6 97 16 B T H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 107.5 52.6 -72.3 -34.5 38.6 9.7 69.8 98 17 B A H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.873 108.7 50.7 -68.5 -34.9 38.5 12.5 67.2 99 18 B Q H X S+ 0 0 131 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.844 110.0 50.1 -68.9 -34.0 37.6 10.0 64.5 100 19 B A H X S+ 0 0 58 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.899 109.8 51.0 -68.7 -41.4 34.8 8.7 66.7 101 20 B M H X S+ 0 0 121 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 111.1 48.2 -60.0 -45.0 33.6 12.3 67.3 102 21 B A H X S+ 0 0 29 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.902 109.8 51.7 -65.1 -40.5 33.6 12.9 63.5 103 22 B K H X S+ 0 0 164 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.887 110.3 49.4 -63.9 -38.9 31.7 9.7 62.8 104 23 B R H >< S+ 0 0 202 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.934 112.6 46.7 -64.9 -45.8 29.1 10.6 65.4 105 24 B H H >< S+ 0 0 124 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.901 106.7 58.9 -61.4 -40.3 28.7 14.1 63.8 106 25 B A H >< S+ 0 0 4 -4,-2.8 3,-1.9 1,-0.3 4,-0.3 0.800 90.8 72.0 -61.0 -27.2 28.5 12.5 60.3 107 26 B T G X< S+ 0 0 86 -4,-1.1 3,-0.9 -3,-0.5 -1,-0.3 0.738 82.2 69.8 -62.2 -25.6 25.5 10.5 61.4 108 27 B L G < S+ 0 0 115 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.815 103.1 45.9 -56.6 -28.8 23.4 13.7 61.4 109 28 B Y G < S- 0 0 38 -3,-1.9 44,-1.5 -4,-0.3 2,-0.3 0.419 123.5 -80.1-102.8 -1.1 23.7 13.5 57.6 110 29 B G E < -F 152 0C 1 -3,-0.9 -1,-0.2 -4,-0.3 42,-0.2 -0.952 50.9 -68.8 138.6-157.0 23.0 9.9 56.9 111 30 B D E -F 151 0C 92 40,-2.1 40,-3.0 -2,-0.3 55,-0.0 -0.975 43.7 -94.6-138.1 148.4 24.7 6.5 56.9 112 31 B P E -F 150 0C 105 0, 0.0 2,-0.3 0, 0.0 38,-0.3 -0.325 47.5-165.4 -54.7 147.1 27.4 4.6 55.0 113 32 B A E -F 149 0C 25 36,-1.8 36,-0.6 26,-0.1 2,-0.2 -0.944 27.3 -96.5-135.0 156.4 25.9 2.5 52.2 114 33 B G > - 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