==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-AUG-09 3IUZ . COMPND 2 MOLECULE: PUTATIVE GLYOXALASE SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 1 4 3 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 0 1 1 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 . 1 1 0 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 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 0 A G 0 0 121 0, 0.0 2,-0.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 44.2 36.5 67.5 28.8 2 1 A X - 0 0 155 26,-0.0 4,-0.0 4,-0.0 21,-0.0 -0.990 360.0-175.1-134.4 148.1 34.1 69.9 27.2 3 2 A H > - 0 0 50 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.749 0.6-175.8-144.5 84.2 32.8 69.7 23.6 4 3 A P H > S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.855 83.3 49.9 -60.6 -41.3 30.6 72.7 22.7 5 4 A N H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.957 115.5 42.8 -62.5 -47.4 29.6 71.5 19.2 6 5 A I H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 113.2 53.8 -64.0 -39.9 28.6 68.0 20.4 7 6 A A H X S+ 0 0 23 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.911 109.8 47.3 -61.7 -43.6 26.8 69.6 23.5 8 7 A T H X S+ 0 0 71 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.4 50.2 -63.9 -45.0 24.8 71.9 21.2 9 8 A L H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.898 115.2 44.6 -58.4 -43.4 23.8 69.0 18.9 10 9 A L H >X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 3,-1.1 0.943 110.2 54.1 -63.3 -48.3 22.8 66.9 21.9 11 10 A S H 3X S+ 0 0 39 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.847 103.3 55.4 -61.2 -37.7 20.9 69.8 23.6 12 11 A A H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.763 120.8 32.6 -67.6 -25.1 18.7 70.4 20.5 13 12 A N H << S+ 0 0 51 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.764 133.6 23.6-100.5 -29.4 17.7 66.8 20.6 14 13 A L H < S- 0 0 42 -4,-3.1 4,-0.5 1,-0.1 -3,-0.2 0.537 100.4-119.8-114.5 -13.6 17.6 65.9 24.3 15 14 A G X - 0 0 33 -4,-2.0 4,-1.8 -5,-0.4 5,-0.2 -0.008 39.2 -71.3 79.6 166.4 17.2 69.2 26.2 16 15 A E H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.902 125.6 47.7 -64.5 -44.0 19.6 70.7 28.7 17 16 A S H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 114.0 44.0 -68.0 -49.6 19.2 68.4 31.6 18 17 A R H > S+ 0 0 60 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.867 114.9 52.4 -63.2 -36.5 19.4 65.1 29.8 19 18 A T H X S+ 0 0 7 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.918 105.7 53.3 -66.3 -45.4 22.4 66.5 27.8 20 19 A R H X S+ 0 0 169 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.923 112.2 44.8 -53.4 -47.7 24.2 67.5 31.0 21 20 A H H X S+ 0 0 53 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.938 113.9 49.6 -63.9 -46.2 23.8 64.0 32.4 22 21 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.896 110.1 50.1 -61.6 -40.1 24.9 62.4 29.1 23 22 A L H < S+ 0 0 45 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 111.5 48.3 -73.1 -29.2 28.0 64.6 28.8 24 23 A S H < S+ 0 0 54 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.801 120.0 39.3 -78.3 -20.4 29.1 63.8 32.3 25 24 A L H < S+ 0 0 0 -4,-1.6 53,-2.7 1,-0.2 2,-0.5 0.915 107.9 55.6 -91.6 -49.9 28.6 60.1 31.7 26 25 A V B < S-a 78 0A 1 -4,-2.9 53,-0.2 51,-0.2 -1,-0.2 -0.799 79.1-127.8-101.7 119.6 29.8 59.3 28.1 27 26 A S - 0 0 42 51,-2.7 53,-0.4 -2,-0.5 -3,-0.1 -0.349 13.3-142.9 -63.1 140.2 33.3 60.1 27.0 28 27 A V - 0 0 15 -5,-0.1 111,-0.1 51,-0.1 -1,-0.1 -0.906 28.4-113.7 -98.2 128.6 33.7 62.1 23.9 29 28 A P > - 0 0 22 0, 0.0 3,-0.5 0, 0.0 2,-0.2 -0.281 29.3-120.0 -61.8 146.4 36.8 60.9 21.9 30 29 A D T 3 S+ 0 0 143 1,-0.2 108,-0.1 -29,-0.0 -3,-0.0 -0.477 87.2 35.8 -80.8 155.0 39.6 63.4 21.6 31 30 A G T 3 + 0 0 74 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.658 67.4 159.6 82.9 13.6 40.8 64.6 18.3 32 31 A L < - 0 0 27 -3,-0.5 -1,-0.2 1,-0.1 103,-0.1 -0.544 52.0 -96.6 -69.9 137.0 37.5 64.8 16.2 33 32 A P - 0 0 52 0, 0.0 11,-0.3 0, 0.0 8,-0.3 -0.180 45.0-161.2 -45.9 142.1 37.9 67.0 13.2 34 33 A S - 0 0 97 6,-0.1 2,-0.4 9,-0.1 6,-0.1 -0.836 13.9-124.1-126.1 159.7 36.5 70.6 13.7 35 34 A D > - 0 0 31 4,-0.6 3,-1.5 -2,-0.3 6,-0.1 -0.917 13.2-135.6-110.1 141.2 35.5 73.4 11.4 36 35 A A T 3 S+ 0 0 109 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.755 105.3 52.5 -64.5 -26.5 37.1 76.9 11.5 37 36 A E T 3 S- 0 0 148 -3,-0.0 -1,-0.3 1,-0.0 0, 0.0 0.324 119.8-105.9 -95.2 6.7 33.6 78.6 11.3 38 37 A G S < S+ 0 0 37 -3,-1.5 -2,-0.1 1,-0.2 152,-0.1 0.430 72.5 143.5 84.7 -1.7 32.1 76.7 14.1 39 38 A R - 0 0 86 1,-0.1 -4,-0.6 150,-0.1 2,-0.6 -0.086 57.8 -96.6 -59.2 167.6 30.0 74.4 11.9 40 39 A A E -B 188 0B 0 148,-2.5 148,-2.2 -6,-0.1 -1,-0.1 -0.792 35.2-145.2 -95.8 121.9 29.4 70.8 12.8 41 40 A T E > -B 187 0B 9 -2,-0.6 4,-2.5 -8,-0.3 146,-0.3 -0.411 27.3-108.0 -76.8 164.9 31.7 68.3 11.1 42 41 A R H > S+ 0 0 56 144,-2.2 4,-2.7 1,-0.2 5,-0.2 0.861 121.1 53.7 -60.9 -38.1 30.5 64.8 10.1 43 42 A A H > S+ 0 0 0 143,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.915 109.9 46.5 -59.3 -50.3 32.6 63.3 12.9 44 43 A E H > S+ 0 0 19 -11,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.915 114.6 47.8 -56.9 -43.8 30.9 65.6 15.5 45 44 A I H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.914 111.7 49.6 -65.5 -43.4 27.5 64.8 14.0 46 45 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 64,-0.2 -2,-0.2 0.914 112.9 46.7 -62.3 -43.9 28.2 61.0 14.0 47 46 A Q H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.934 113.9 48.1 -63.7 -44.3 29.4 61.1 17.6 48 47 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.924 110.3 51.5 -65.1 -44.4 26.4 63.2 18.7 49 48 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.926 109.8 51.0 -54.1 -47.8 23.9 60.9 16.9 50 49 A N H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.858 109.1 49.8 -58.2 -40.7 25.5 58.0 18.7 51 50 A X H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.828 109.9 50.2 -68.0 -37.0 25.1 59.6 22.0 52 51 A V H X S+ 0 0 12 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.925 112.6 47.9 -66.1 -40.1 21.4 60.4 21.4 53 52 A L H X S+ 0 0 11 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.883 109.8 52.4 -69.4 -40.2 20.9 56.8 20.4 54 53 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.937 107.2 51.9 -56.6 -48.2 22.8 55.6 23.5 55 54 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.869 107.2 54.2 -57.8 -36.7 20.5 57.7 25.7 56 55 A G H X S+ 0 0 22 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.864 106.6 51.3 -64.6 -38.1 17.6 56.1 23.9 57 56 A I H >X S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 4,-0.9 0.948 107.7 52.3 -62.6 -47.9 19.0 52.6 24.8 58 57 A L H 3< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.3 7,-0.3 0.833 101.2 61.9 -57.2 -35.3 19.2 53.7 28.5 59 58 A D H 3< S+ 0 0 100 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.710 118.4 27.0 -64.0 -24.5 15.6 54.8 28.4 60 59 A R H << S+ 0 0 50 -3,-1.6 241,-0.4 -4,-0.6 -1,-0.2 0.314 110.7 68.8-124.3 11.7 14.5 51.2 27.6 61 60 A V >X + 0 0 0 -4,-0.9 4,-2.0 -3,-0.5 3,-0.7 -0.767 58.3 179.9-127.4 78.8 17.3 49.1 29.2 62 61 A P H 3> S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.805 79.6 57.6 -56.6 -29.9 16.8 49.7 33.0 63 62 A T H 3> S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.897 108.4 48.6 -68.9 -35.5 19.8 47.5 34.0 64 63 A G H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.908 108.5 52.7 -62.8 -45.5 21.9 49.7 31.8 65 64 A R H X S+ 0 0 93 -4,-2.0 4,-2.7 -7,-0.3 -2,-0.2 0.903 109.0 50.9 -58.4 -40.8 20.5 52.8 33.4 66 65 A A H X S+ 0 0 35 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.928 112.4 45.4 -60.2 -51.1 21.3 51.3 36.9 67 66 A Y H X S+ 0 0 19 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.946 115.8 45.2 -56.0 -52.7 24.9 50.6 35.9 68 67 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.857 106.6 59.6 -70.8 -31.9 25.4 54.0 34.3 69 68 A D H X S+ 0 0 78 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.910 107.5 47.7 -56.3 -42.0 23.7 55.8 37.3 70 69 A D H X S+ 0 0 62 -4,-1.7 4,-2.0 -3,-0.2 6,-0.3 0.897 109.3 53.7 -64.7 -40.2 26.4 54.3 39.5 71 70 A V H <>S+ 0 0 11 -4,-1.9 5,-2.3 2,-0.2 4,-0.4 0.971 112.1 43.5 -58.8 -51.5 29.1 55.4 37.0 72 71 A A H ><5S+ 0 0 34 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.935 113.0 53.1 -58.5 -45.1 27.9 59.0 37.1 73 72 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 115.2 39.9 -60.0 -34.4 27.5 58.9 40.9 74 73 A T T 3<5S- 0 0 114 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.264 115.3-110.1-104.3 11.4 31.1 57.7 41.3 75 74 A G T < 5S+ 0 0 62 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.654 71.7 132.7 71.5 19.4 32.7 59.9 38.7 76 75 A G < - 0 0 28 -5,-2.3 2,-0.3 -6,-0.3 -1,-0.2 -0.082 45.7-123.1 -84.2-165.0 33.5 57.2 36.1 77 76 A X - 0 0 125 -51,-0.0 2,-0.4 2,-0.0 -51,-0.2 -0.980 0.5-135.8-143.5 149.6 32.9 57.2 32.4 78 77 A V B -a 26 0A 0 -53,-2.7 -51,-2.7 -2,-0.3 2,-0.6 -0.884 13.7-156.1 -98.3 134.2 31.2 55.1 29.7 79 78 A V - 0 0 48 -2,-0.4 163,-3.4 163,-0.2 2,-0.9 -0.959 18.7-138.7-107.4 107.6 33.2 54.6 26.5 80 79 A F E +C 241 0C 9 -2,-0.6 161,-0.2 -53,-0.4 3,-0.1 -0.580 29.6 173.3 -71.9 106.7 30.5 53.9 23.9 81 80 A D E - 0 0 0 159,-2.6 60,-2.6 -2,-0.9 2,-0.3 0.913 54.7 -29.8 -83.4 -52.4 32.1 51.1 21.9 82 81 A H E -Cd 240 141C 2 158,-0.9 158,-2.2 58,-0.3 2,-0.4 -0.947 42.1-139.3-164.0 149.4 29.4 50.0 19.5 83 82 A G E -Cd 239 142C 1 58,-1.7 60,-2.8 -2,-0.3 2,-0.4 -0.911 24.4-151.0-104.0 143.4 25.6 49.8 19.0 84 83 A A E +Cd 238 143C 6 154,-2.2 153,-3.0 -2,-0.4 154,-1.1 -0.959 17.7 175.6-117.8 132.5 24.3 46.6 17.3 85 84 A L E - d 0 144C 1 58,-2.6 60,-2.8 -2,-0.4 2,-0.3 -0.910 18.4-134.2-134.4 164.9 21.1 46.5 15.3 86 85 A R E - d 0 145C 36 149,-0.5 2,-0.3 147,-0.3 60,-0.2 -0.887 16.6-179.1-121.4 151.1 19.2 44.0 13.2 87 86 A T E - d 0 146C 2 58,-1.7 60,-3.2 -2,-0.3 2,-0.6 -0.925 27.4-118.1-139.5 163.2 17.6 44.1 9.8 88 87 A V E - d 0 147C 6 -2,-0.3 11,-2.6 11,-0.3 2,-1.2 -0.921 13.6-153.1-109.7 118.0 15.7 41.6 7.6 89 88 A X + 0 0 112 58,-2.4 2,-0.3 -2,-0.6 9,-0.1 -0.733 52.7 119.2 -90.3 89.8 17.1 40.7 4.2 90 89 A W - 0 0 50 -2,-1.2 9,-0.2 58,-0.1 -2,-0.1 -0.985 66.6-130.4-157.7 136.3 13.9 39.8 2.4 91 90 A R S S+ 0 0 214 -2,-0.3 2,-1.8 1,-0.2 3,-0.1 0.803 98.8 72.4 -69.2 -25.9 12.2 41.3 -0.7 92 91 A D + 0 0 82 1,-0.2 -1,-0.2 -3,-0.0 72,-0.2 -0.548 62.0 126.1 -87.7 73.1 8.8 41.6 1.0 93 92 A N > - 0 0 7 -2,-1.8 3,-1.9 1,-0.4 -1,-0.2 0.037 61.3-134.9-123.2 20.5 10.0 44.6 3.2 94 93 A G T 3 S- 0 0 46 1,-0.3 -1,-0.4 71,-0.2 74,-0.2 -0.338 74.7 -21.8 61.7-131.5 7.4 47.2 2.4 95 94 A A T 3 S+ 0 0 63 72,-3.0 -1,-0.3 -2,-0.1 73,-0.1 0.402 114.9 102.4 -89.3 2.2 9.0 50.6 1.7 96 95 A L S < S- 0 0 15 -3,-1.9 -3,-0.1 68,-0.2 73,-0.1 -0.741 78.8-114.3 -95.1 124.7 12.2 49.7 3.6 97 96 A P - 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