==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-OCT-12 4HGV . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR S.ESWARAMOORTHY,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J.L . 1774 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1295 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 12 0.7 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 . 57 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 877 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 52 2.9 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 1 6 3 1 4 3 1 0 4 2 4 0 0 6 6 4 1 0 0 2 6 3 4 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 . 8 4 0 0 3 5 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 . 14 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 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 0 136 0, 0.0 15,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.1 -1.7 83.9 47.3 2 14 A T E -A 15 0A 82 13,-0.2 2,-0.4 14,-0.1 13,-0.2 -0.875 360.0-140.1-130.6 158.7 -4.0 85.5 44.7 3 15 A R E -A 14 0A 25 11,-3.1 11,-2.6 -2,-0.3 2,-0.6 -0.920 27.7-120.4-114.4 139.5 -7.5 85.2 43.3 4 16 A T E -A 13 0A 74 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.750 31.8-176.2 -85.1 116.8 -8.3 85.5 39.6 5 17 A E E -A 12 0A 7 7,-2.9 7,-2.4 -2,-0.6 2,-0.4 -0.874 8.8-154.8-108.0 146.3 -10.7 88.4 38.9 6 18 A T E +A 11 0A 68 115,-0.4 16,-0.2 -2,-0.3 2,-0.2 -0.970 20.4 164.2-128.9 139.0 -11.9 89.1 35.4 7 19 A D E > -A 10 0A 28 3,-1.9 3,-1.2 -2,-0.4 0, 0.0 -0.635 61.9 -75.2-123.7-164.4 -13.2 92.0 33.3 8 20 A T T 3 S+ 0 0 97 1,-0.3 1635,-0.0 -2,-0.2 -2,-0.0 0.670 130.1 57.7 -70.7 -16.5 -13.7 92.5 29.6 9 21 A F T 3 S- 0 0 87 1,-0.3 -1,-0.3 1632,-0.0 -3,-0.0 0.666 118.4-102.9 -81.6 -20.7 -10.0 92.9 29.1 10 22 A G E < -A 7 0A 20 -3,-1.2 -3,-1.9 2,-0.0 -1,-0.3 -0.834 56.6 -21.9 129.5-168.8 -9.3 89.5 30.7 11 23 A P E +A 6 0A 95 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.419 49.0 179.2 -78.7 150.6 -8.0 88.0 34.0 12 24 A I E -A 5 0A 40 -7,-2.4 -7,-2.9 -2,-0.1 2,-0.3 -0.975 28.1-116.5-150.4 141.6 -6.0 89.8 36.6 13 25 A E E -A 4 0A 81 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.618 26.9-171.5 -83.6 134.1 -4.6 88.6 40.0 14 26 A V E -A 3 0A 0 -11,-2.6 -11,-3.1 -2,-0.3 8,-0.1 -0.987 37.1 -97.5-122.2 133.4 -5.9 90.2 43.2 15 27 A A E > -A 2 0A 39 -2,-0.4 3,-1.7 -13,-0.2 -13,-0.2 -0.223 33.7-126.3 -46.3 134.7 -4.4 89.5 46.6 16 28 A S T 3 S+ 0 0 46 -15,-2.3 -1,-0.1 1,-0.3 -14,-0.1 0.796 107.2 55.4 -61.7 -33.5 -6.5 86.9 48.4 17 29 A D T 3 S+ 0 0 109 -16,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.471 94.2 88.9 -79.7 0.0 -7.0 89.0 51.5 18 30 A R < - 0 0 69 -3,-1.7 68,-0.1 1,-0.1 -4,-0.1 -0.793 61.5-155.5-104.3 140.6 -8.4 92.0 49.4 19 31 A Y + 0 0 38 -2,-0.3 91,-0.4 64,-0.1 92,-0.2 0.525 63.2 99.0 -89.0 -9.3 -12.1 92.5 48.5 20 32 A W - 0 0 20 1,-0.1 2,-0.1 -5,-0.1 83,-0.1 -0.230 59.0-146.2 -75.8 171.9 -11.6 94.6 45.4 21 33 A G > - 0 0 0 81,-0.1 4,-1.9 82,-0.1 5,-0.1 -0.197 36.5 -55.0-121.8-151.1 -11.7 93.3 41.9 22 34 A A H > S+ 0 0 2 -16,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 124.7 46.4 -65.3 -47.2 -10.4 93.5 38.3 23 35 A Q H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 113.0 49.7 -67.8 -42.6 -11.0 97.2 37.6 24 36 A A H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.891 111.7 49.7 -59.0 -39.9 -9.6 98.3 40.9 25 37 A Q H X S+ 0 0 48 -4,-1.9 4,-0.7 1,-0.2 3,-0.4 0.898 110.7 48.7 -69.3 -40.5 -6.5 96.2 40.3 26 38 A R H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 3,-0.5 0.836 106.0 59.1 -63.7 -35.2 -6.0 97.7 36.8 27 39 A S H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.780 94.4 64.9 -66.8 -28.2 -6.4 101.2 38.2 28 40 A L H < S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.869 112.1 33.8 -60.4 -39.2 -3.5 100.7 40.5 29 41 A G H < S+ 0 0 38 -4,-0.7 3,-0.5 -3,-0.5 -2,-0.2 0.761 115.7 55.6 -87.9 -28.7 -1.1 100.4 37.5 30 42 A N H < S+ 0 0 25 -4,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.793 114.3 38.7 -73.3 -27.5 -2.9 102.8 35.2 31 43 A F < + 0 0 5 -4,-1.7 2,-1.6 -5,-0.1 59,-0.3 -0.562 59.6 157.2-128.5 68.2 -2.7 105.7 37.7 32 44 A K + 0 0 154 -3,-0.5 2,-0.4 -2,-0.3 1675,-0.1 -0.586 36.7 134.3 -89.3 72.5 0.6 105.7 39.6 33 45 A I - 0 0 2 -2,-1.6 59,-0.5 3,-0.1 58,-0.1 -0.980 51.5 -28.0-136.3 115.3 0.3 109.4 40.4 34 46 A G - 0 0 19 -2,-0.4 56,-0.0 1665,-0.4 1662,-0.0 -0.014 68.1 -82.0 86.1-177.3 0.9 111.2 43.7 35 47 A W S S+ 0 0 109 1661,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.599 90.2 100.5 -97.5 -16.9 0.7 110.5 47.4 36 48 A E - 0 0 19 -3,-0.1 55,-2.4 3,-0.0 56,-0.4 -0.615 49.1-165.8 -95.1 123.3 -3.0 110.9 47.9 37 49 A K B -B 90 0B 126 -2,-0.5 53,-0.3 53,-0.3 3,-0.1 -0.551 50.4 -73.8 -88.3 161.1 -5.6 108.2 48.2 38 50 A Q - 0 0 11 51,-2.2 -1,-0.1 -2,-0.2 5,-0.1 -0.349 65.1 -99.9 -48.8 129.5 -9.3 108.9 47.9 39 51 A P >> - 0 0 9 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.255 26.4-120.4 -54.0 145.3 -10.3 110.6 51.2 40 52 A L H 3> S+ 0 0 103 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.778 111.8 64.5 -62.0 -26.1 -11.9 108.2 53.6 41 53 A A H 3> S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.838 102.4 49.3 -64.9 -32.9 -15.1 110.5 53.7 42 54 A I H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.908 109.3 51.4 -69.5 -42.8 -15.5 109.6 50.0 43 55 A V H X S+ 0 0 3 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.944 111.8 47.5 -56.8 -49.8 -15.1 105.9 50.7 44 56 A R H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.921 112.3 49.9 -55.8 -46.5 -17.8 106.1 53.4 45 57 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.821 106.2 54.0 -69.0 -33.6 -20.1 108.1 51.0 46 58 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.936 108.3 51.9 -63.0 -42.3 -19.7 105.5 48.3 47 59 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 108.3 51.8 -53.1 -48.3 -20.8 102.9 50.9 48 60 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.881 109.4 48.6 -57.8 -45.1 -23.8 105.1 51.7 49 61 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.913 110.7 50.2 -65.1 -42.0 -24.8 105.3 48.0 50 62 A K H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.858 114.1 44.8 -64.2 -37.8 -24.5 101.6 47.5 51 63 A Q H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 115.2 48.0 -70.9 -42.5 -26.7 100.9 50.6 52 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.889 112.1 49.6 -63.5 -41.9 -29.2 103.5 49.6 53 65 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.910 109.2 51.3 -65.0 -46.1 -29.3 102.2 46.0 54 66 A A H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.941 113.8 44.3 -53.7 -52.9 -29.9 98.6 47.1 55 67 A R H X S+ 0 0 84 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.891 115.4 48.5 -58.5 -44.0 -32.8 99.6 49.4 56 68 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.896 112.0 49.0 -64.5 -41.1 -34.2 101.9 46.7 57 69 A N H <>S+ 0 0 1 -4,-3.2 5,-2.6 2,-0.2 6,-0.9 0.888 112.3 47.9 -67.0 -40.0 -33.9 99.0 44.1 58 70 A X H ><5S+ 0 0 38 -4,-2.5 3,-2.5 4,-0.2 -2,-0.2 0.958 109.2 53.2 -61.6 -50.3 -35.6 96.5 46.4 59 71 A A H 3<5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.1 49.7 -57.2 -32.5 -38.4 99.0 47.2 60 72 A L T 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.379 116.3-117.1 -88.6 4.5 -39.0 99.4 43.5 61 73 A G T < 5S+ 0 0 67 -3,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.695 86.3 111.6 70.6 23.0 -39.1 95.6 43.0 62 74 A R < + 0 0 148 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.545 68.5 54.8-103.3 -9.0 -36.1 95.6 40.7 63 75 A L S S- 0 0 10 -6,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 -0.990 84.0-118.4-132.4 128.7 -33.7 93.8 43.1 64 76 A D >> - 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0 0 2 -4,-1.0 30,-0.4 -3,-0.6 3,-0.3 -0.359 55.8-156.9 -73.6 147.1 -24.2 107.1 15.9 856 416 B L S > S+ 0 0 9 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 0.544 79.9 88.1 -90.1 -10.7 -23.3 103.7 17.4 857 417 B X G > S+ 0 0 16 1,-0.3 3,-0.7 -209,-0.1 -1,-0.2 0.731 75.4 64.5 -62.2 -27.8 -24.8 104.8 20.7 858 418 B L G > S+ 0 0 12 -3,-0.3 3,-1.5 1,-0.2 4,-0.3 0.401 70.4 100.1 -79.9 3.2 -28.3 103.6 19.9 859 419 B V G X> + 0 0 0 -3,-1.5 3,-2.3 1,-0.3 4,-0.8 0.850 67.7 71.0 -56.3 -39.5 -27.3 99.9 19.6 860 420 B T G <4 S+ 0 0 57 -3,-0.7 -1,-0.3 1,-0.3 3,-0.2 0.739 87.3 66.1 -48.6 -28.9 -28.7 99.2 23.1 861 421 B A G <4 S+ 0 0 19 -3,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.720 99.0 51.0 -71.6 -21.9 -32.2 99.7 21.8 862 422 B L T X> S+ 0 0 4 -3,-2.3 4,-2.0 -4,-0.3 3,-0.6 0.761 90.5 80.8 -81.0 -28.3 -31.9 96.5 19.6 863 423 B A H 3X S+ 0 0 27 -4,-0.8 4,-2.6 -3,-0.2 -2,-0.2 0.846 83.4 60.3 -49.7 -45.7 -30.7 94.4 22.5 864 424 B P H 34 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.923 117.1 29.6 -45.4 -53.0 -34.3 93.8 23.9 865 425 B K H <4 S+ 0 0 118 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.758 135.0 26.2 -82.9 -27.4 -35.4 92.0 20.6 866 426 B I H < S- 0 0 38 -4,-2.0 4,-0.3 1,-0.1 -3,-0.2 0.511 105.5-113.0-121.8 -12.5 -32.2 90.5 19.4 867 427 B G X - 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