==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-12 4B29 . COMPND 2 MOLECULE: DIMETHYLSULFONIOPROPIONATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROSEOVARIUS NUBINHIBENS ISM; . AUTHOR J.H.HEHEMANN,A.LAW,L.REDECKE,A.B.BORASTON . 195 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 27.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 21.0 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 1 0 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 2 0 1 1 1 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 0 1 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 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 2 A S > 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 115.2 75.7 64.6 28.7 2 3 A G H > + 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.908 360.0 56.0 -58.6 -44.9 74.8 64.0 32.4 3 4 A R H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 109.0 44.7 -59.0 -41.8 71.4 62.8 31.3 4 5 A A H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 114.0 48.4 -69.6 -41.2 72.8 60.1 29.1 5 6 A A H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.901 115.3 45.4 -66.5 -42.4 75.4 58.9 31.6 6 7 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.850 111.9 51.4 -72.9 -33.2 72.8 58.7 34.4 7 8 A T H X S+ 0 0 51 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.913 111.1 47.7 -67.3 -39.1 70.3 57.0 32.2 8 9 A H H X S+ 0 0 101 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 111.9 51.2 -66.1 -39.6 72.9 54.4 31.2 9 10 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.903 107.7 52.4 -63.4 -44.1 73.7 54.0 34.9 10 11 A L H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.905 108.4 50.5 -60.9 -38.7 70.0 53.4 35.7 11 12 A E H X S+ 0 0 109 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.909 110.9 48.8 -61.8 -42.9 69.8 50.7 33.1 12 13 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.896 111.6 50.1 -66.0 -36.8 72.9 49.0 34.6 13 14 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.889 110.1 49.9 -68.4 -39.0 71.4 49.3 38.1 14 15 A R H X S+ 0 0 109 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 111.0 48.6 -64.5 -42.3 68.1 47.8 36.9 15 16 A D H X S+ 0 0 104 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.898 111.4 51.3 -63.9 -40.6 70.0 44.9 35.2 16 17 A W H X S+ 0 0 18 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.938 111.1 47.8 -61.2 -49.7 72.0 44.4 38.5 17 18 A H H >< S+ 0 0 9 -4,-2.8 3,-1.0 1,-0.2 7,-0.4 0.931 111.5 49.6 -56.6 -45.2 68.7 44.3 40.5 18 19 A E H 3< S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.0 50.8 -62.5 -36.6 67.1 41.8 38.1 19 20 A A H 3< S+ 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.598 98.4 73.9 -79.0 -14.1 70.2 39.6 38.3 20 21 A L XX - 0 0 25 -3,-1.0 4,-2.2 -4,-0.9 3,-0.9 -0.876 62.6-162.1-106.6 106.5 70.3 39.5 42.1 21 22 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.824 93.0 56.3 -54.4 -34.9 67.6 37.3 43.8 22 23 A E H 3> S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.865 107.7 48.3 -66.7 -34.5 68.1 39.0 47.1 23 24 A F H <> S+ 0 0 1 -3,-0.9 4,-2.1 2,-0.2 3,-0.3 0.928 111.4 49.5 -68.7 -45.1 67.4 42.4 45.5 24 25 A R H < S+ 0 0 130 -4,-2.2 -2,-0.2 -7,-0.4 -1,-0.2 0.851 111.2 50.6 -59.5 -37.2 64.3 41.0 43.8 25 26 A A H < S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.802 110.7 49.1 -67.7 -31.3 63.1 39.6 47.1 26 27 A F H < S- 0 0 16 -4,-1.3 2,-0.3 -3,-0.3 -2,-0.2 0.874 126.6 -8.5 -80.3 -38.2 63.7 42.9 48.9 27 28 A A < - 0 0 16 -4,-2.1 -1,-0.3 -5,-0.1 2,-0.3 -0.977 62.7-116.8-160.0 143.5 61.8 45.2 46.5 28 29 A T - 0 0 121 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.0 -0.603 46.1-104.8 -75.8 142.6 60.2 45.2 43.1 29 30 A W - 0 0 20 -2,-0.3 -1,-0.1 1,-0.1 -15,-0.0 -0.558 45.0-111.6 -70.1 129.6 61.9 47.5 40.6 30 31 A P - 0 0 11 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.257 17.9-155.8 -67.6 145.6 59.6 50.6 40.3 31 32 A E S S+ 0 0 145 1,-0.2 -2,-0.1 -3,-0.0 76,-0.0 0.447 86.8 62.4 -94.6 0.2 57.8 51.2 37.0 32 33 A D + 0 0 64 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.133 61.3 144.8-114.2 18.0 57.5 55.0 37.7 33 34 A L - 0 0 27 -3,-0.3 2,-0.4 72,-0.1 74,-0.2 -0.438 28.9-167.9 -64.9 131.2 61.1 56.3 37.9 34 35 A R E -A 106 0A 154 72,-1.5 72,-3.2 -2,-0.1 -2,-0.1 -0.990 29.0-106.1-125.2 131.1 61.3 59.8 36.4 35 36 A W E -A 105 0A 63 -2,-0.4 70,-0.2 70,-0.2 69,-0.1 -0.269 30.1-165.6 -50.4 125.1 64.4 61.9 35.4 36 37 A A - 0 0 30 68,-2.7 -1,-0.2 2,-0.1 69,-0.1 0.545 23.3-134.8 -92.4 -16.8 64.7 64.6 38.1 37 38 A D + 0 0 103 67,-0.5 67,-0.1 1,-0.2 68,-0.1 0.879 40.9 170.6 51.3 48.1 67.2 66.9 36.4 38 39 A R - 0 0 62 66,-0.3 -1,-0.2 65,-0.1 -2,-0.1 -0.720 31.4-119.2 -84.7 135.0 69.1 67.2 39.6 39 40 A P - 0 0 98 0, 0.0 34,-0.1 0, 0.0 -1,-0.1 -0.298 26.5 -98.8 -78.0 159.4 72.5 69.0 39.1 40 41 A A - 0 0 56 32,-0.1 2,-0.4 35,-0.1 35,-0.3 -0.284 30.0-165.3 -65.8 151.2 75.9 67.5 39.7 41 42 A H B -h 75 0B 99 33,-2.7 35,-2.2 2,-0.0 2,-0.2 -0.901 14.0-144.2-141.8 112.6 77.7 68.3 42.9 42 43 A A + 0 0 72 -2,-0.4 33,-0.0 33,-0.1 29,-0.0 -0.512 20.0 176.0 -79.3 140.9 81.4 67.4 42.9 43 44 A L > - 0 0 33 -2,-0.2 3,-2.0 34,-0.1 4,-0.3 -0.933 46.7-101.8-133.3 162.2 83.3 66.2 46.0 44 45 A P T >> S+ 0 0 63 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.757 110.8 78.2 -57.3 -24.4 86.9 65.1 46.3 45 46 A V H 3> S+ 0 0 0 45,-0.3 4,-2.8 48,-0.3 5,-0.3 0.795 75.6 77.1 -54.5 -29.0 85.9 61.4 46.2 46 47 A I H <> S+ 0 0 22 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.904 94.0 46.6 -50.8 -46.9 85.4 61.6 42.4 47 48 A D H <> S+ 0 0 108 -3,-1.1 4,-2.3 -4,-0.3 -1,-0.2 0.887 113.3 49.7 -68.5 -32.7 89.1 61.4 41.6 48 49 A H H X S+ 0 0 48 -4,-0.9 4,-2.4 -3,-0.2 -2,-0.2 0.947 112.9 46.1 -69.0 -47.8 89.6 58.5 44.1 49 50 A L H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 113.6 49.5 -58.3 -42.8 86.8 56.5 42.6 50 51 A T H < S+ 0 0 68 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.923 117.8 38.5 -68.7 -42.3 87.9 57.2 39.1 51 52 A R H < S+ 0 0 177 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.805 134.5 20.3 -74.5 -29.0 91.5 56.2 39.7 52 53 A D < + 0 0 62 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.532 64.5 154.5-143.6 67.2 90.7 53.2 42.0 53 54 A P - 0 0 23 0, 0.0 85,-0.1 0, 0.0 -1,-0.1 0.698 58.5-110.4 -76.8 -14.0 87.1 51.9 41.6 54 55 A G - 0 0 7 122,-0.1 2,-0.1 84,-0.1 122,-0.1 -0.104 41.1 -54.5 105.0 150.0 88.0 48.4 42.8 55 56 A H - 0 0 147 120,-0.2 84,-2.4 83,-0.1 2,-0.3 -0.438 56.3-156.6 -58.9 133.0 88.2 45.0 41.2 56 57 A A - 0 0 11 82,-0.2 82,-0.1 -2,-0.1 2,-0.1 -0.821 12.6-127.7-107.5 152.1 85.0 43.9 39.4 57 58 A S > - 0 0 35 80,-0.5 4,-1.5 -2,-0.3 3,-0.1 -0.459 38.3-103.3 -79.6 169.9 83.7 40.5 38.5 58 59 A D T 4 S+ 0 0 156 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.886 126.2 50.7 -61.0 -34.5 82.7 40.0 34.9 59 60 A Q T 4 S+ 0 0 175 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.812 115.5 39.6 -70.6 -31.1 79.1 40.3 36.1 60 61 A S T > S+ 0 0 0 1,-0.2 4,-2.8 -3,-0.1 5,-0.2 0.542 90.7 89.0 -99.2 -9.6 79.7 43.6 38.0 61 62 A Q H X S+ 0 0 79 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.900 84.4 53.6 -58.5 -42.4 82.0 45.3 35.5 62 63 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.938 113.9 43.2 -59.5 -43.2 79.2 47.0 33.5 63 64 A L H > S+ 0 0 4 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.916 113.5 50.8 -68.1 -43.0 77.8 48.6 36.7 64 65 A R H X S+ 0 0 53 -4,-2.8 4,-2.3 73,-0.2 -1,-0.2 0.939 113.2 45.3 -58.6 -48.1 81.2 49.6 38.0 65 66 A D H X S+ 0 0 64 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.884 111.3 53.3 -66.3 -34.9 82.1 51.3 34.7 66 67 A A H X S+ 0 0 2 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.871 109.4 49.4 -64.2 -36.1 78.7 53.0 34.5 67 68 A L H X S+ 0 0 1 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.902 110.3 49.2 -69.5 -42.8 79.2 54.4 38.0 68 69 A V H >< S+ 0 0 30 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.940 112.3 48.9 -61.8 -42.4 82.7 55.7 37.2 69 70 A A H 3< S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 112.7 49.2 -67.3 -30.9 81.3 57.3 34.0 70 71 A A H >X S+ 0 0 0 -4,-1.7 3,-2.5 1,-0.2 4,-0.7 0.631 84.9 93.4 -76.5 -19.1 78.5 58.9 36.1 71 72 A A G X< S+ 0 0 0 -4,-1.0 3,-0.6 -3,-0.8 -1,-0.2 0.819 82.8 49.2 -53.3 -39.6 80.7 60.2 38.8 72 73 A P G 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.485 114.8 48.5 -76.8 3.1 81.2 63.8 37.3 73 74 A H G <4 S+ 0 0 59 -3,-2.5 -2,-0.2 -71,-0.1 2,-0.2 0.448 92.1 89.9-121.1 -7.4 77.4 64.1 36.9 74 75 A V S << S- 0 0 1 -4,-0.7 -33,-2.7 -3,-0.6 2,-1.1 -0.535 79.3-110.6 -96.9 163.5 75.9 63.0 40.2 75 76 A E B -h 41 0B 41 -35,-0.3 22,-0.4 22,-0.2 2,-0.2 -0.734 39.8-154.9 -89.3 94.1 75.1 64.9 43.3 76 77 A W - 0 0 3 -35,-2.2 2,-0.3 -2,-1.1 20,-0.2 -0.492 11.9-169.9 -75.0 143.2 77.7 63.7 45.8 77 78 A R B -B 95 0A 43 18,-2.9 18,-2.1 -2,-0.2 -34,-0.1 -0.879 21.9-172.2-130.7 156.7 76.9 63.8 49.5 78 79 A H - 0 0 38 -2,-0.3 2,-1.7 16,-0.2 -1,-0.1 0.706 9.6-172.3-117.2 -51.2 78.9 63.4 52.8 79 80 A S + 0 0 62 16,-0.1 2,-0.2 1,-0.1 -1,-0.0 -0.212 57.2 80.3 87.5 -48.2 76.4 63.4 55.7 80 81 A Y S S- 0 0 15 -2,-1.7 2,-0.1 1,-0.1 -1,-0.1 -0.587 73.7-121.0-102.7 160.0 79.0 63.4 58.5 81 82 A T > - 0 0 76 -2,-0.2 4,-2.2 1,-0.1 5,-0.5 -0.425 27.7-110.6 -89.3 164.5 81.1 66.1 60.0 82 83 A E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 7,-0.1 0.885 120.1 56.1 -60.2 -37.5 84.9 66.3 60.3 83 84 A A H 4 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.866 109.9 46.3 -61.3 -37.3 84.6 65.7 64.0 84 85 A E H 4 S+ 0 0 94 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.908 135.1 4.2 -74.3 -42.5 82.6 62.5 63.4 85 86 A V H < S- 0 0 29 -4,-2.2 4,-0.4 38,-0.1 -3,-0.2 0.553 98.5-115.5-125.5 -15.0 84.8 60.9 60.8 86 87 A G X - 0 0 27 -4,-2.2 4,-2.0 -5,-0.5 5,-0.2 0.203 30.6 -84.8 90.4 152.4 87.9 62.9 60.1 87 88 A R H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.840 123.0 56.2 -61.0 -38.9 89.1 64.8 57.0 88 89 A D H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 108.3 48.8 -61.8 -42.6 90.8 61.8 55.3 89 90 A F H > S+ 0 0 8 -4,-0.4 4,-0.8 1,-0.2 3,-0.4 0.943 111.6 49.9 -62.5 -46.2 87.5 59.8 55.4 90 91 A L H < S+ 0 0 5 -4,-2.0 3,-0.3 1,-0.2 -45,-0.3 0.849 111.7 49.3 -62.4 -34.1 85.6 62.9 54.0 91 92 A N H < S+ 0 0 57 -4,-2.2 -43,-0.2 1,-0.2 -1,-0.2 0.825 119.4 35.1 -68.7 -33.5 88.2 63.2 51.2 92 93 A R H < S+ 0 0 42 -4,-1.6 26,-2.1 -3,-0.4 2,-0.3 0.226 112.9 56.1-118.8 17.2 88.1 59.6 50.2 93 94 A F E < + C 0 117A 2 -4,-0.8 -48,-0.3 -3,-0.3 2,-0.3 -0.978 52.4 146.7-138.2 153.4 84.4 58.6 50.7 94 95 A G E - 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