==== 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 HYDROLASE 25-MAR-09 3GRH . COMPND 2 MOLECULE: ACYL-COA THIOESTER HYDROLASE YBGC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR J.M.EKLOF,T.C.TAN,C.DIVNE,H.BRUMER . 397 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.3 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 8 3 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 -4 A Y 0 0 286 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.8 7.2 44.8 102.4 2 -3 A F - 0 0 202 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.440 360.0 -99.0 -85.1 158.8 10.6 46.1 101.0 3 -2 A Q - 0 0 153 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.625 32.5-121.6 -83.0 122.2 11.1 47.0 97.3 4 -1 A S - 0 0 82 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.336 12.8-140.4 -50.0 141.1 12.8 44.4 95.1 5 0 A M + 0 0 107 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.405 61.2 127.1 -88.3 3.3 15.9 45.9 93.7 6 1 A Q - 0 0 163 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.335 64.3-121.7 -65.2 136.8 15.2 44.2 90.3 7 2 A R - 0 0 186 -2,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.712 26.9-135.1 -80.5 117.0 15.1 46.5 87.3 8 3 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.382 22.5-106.7 -73.7 146.1 11.8 46.3 85.5 9 4 A S - 0 0 25 1,-0.1 383,-0.1 2,-0.1 381,-0.1 -0.427 23.8-140.1 -60.6 143.4 11.6 46.1 81.8 10 5 A D + 0 0 110 381,-0.4 2,-0.5 -3,-0.1 -1,-0.1 0.378 68.8 113.7 -89.1 8.6 10.6 49.4 80.6 11 6 A Q - 0 0 24 380,-0.5 2,-0.4 3,-0.0 379,-0.3 -0.696 47.3-174.5 -85.0 120.3 8.4 47.8 77.9 12 7 A T > - 0 0 97 -2,-0.5 3,-0.9 377,-0.1 9,-0.2 -0.965 25.5 -82.0-124.2 129.2 4.7 48.6 78.7 13 8 A A T 3 S+ 0 0 31 -2,-0.4 9,-0.1 1,-0.3 352,-0.1 -0.441 104.5 24.0 -66.6 145.6 1.7 47.2 76.9 14 9 A P T 3 S- 0 0 41 0, 0.0 7,-1.6 0, 0.0 -1,-0.3 -0.977 84.2-174.2 -91.2 1.9 0.2 47.9 74.5 15 10 A G E < -A 20 0A 27 -3,-0.9 2,-0.3 5,-0.3 -2,-0.1 -0.485 35.4 -54.9 81.1-151.4 3.2 49.6 73.0 16 11 A T E > -A 19 0A 79 3,-1.7 3,-0.5 -2,-0.2 348,-0.0 -0.751 44.7-101.0-120.2 169.3 3.1 51.4 69.8 17 12 A S T 3 S+ 0 0 72 -2,-0.3 346,-1.3 1,-0.2 -1,-0.0 0.785 126.6 44.7 -57.4 -29.4 2.1 50.8 66.2 18 13 A S T 3 S+ 0 0 35 1,-0.2 333,-0.5 344,-0.1 -1,-0.2 0.655 129.4 22.2 -85.1 -21.8 5.7 50.3 65.4 19 14 A R E < S-A 16 0A 15 -3,-0.5 -3,-1.7 330,-0.1 -1,-0.2 -0.631 76.6-162.5-150.5 78.1 6.5 48.1 68.5 20 15 A P E -A 15 0A 2 0, 0.0 368,-1.3 0, 0.0 2,-0.4 -0.507 5.5-157.7 -74.4 141.7 3.6 46.4 70.0 21 16 A I B -b 388 0B 8 -7,-1.6 368,-0.2 -2,-0.2 2,-0.1 -0.964 12.9-128.1-123.8 127.3 4.1 45.0 73.5 22 17 A L - 0 0 3 366,-2.6 368,-0.2 -2,-0.4 -9,-0.2 -0.376 17.3-125.1 -74.3 144.2 2.0 42.2 75.0 23 18 A S > - 0 0 26 -11,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.481 32.2-104.6 -73.9 163.4 0.2 42.4 78.3 24 19 A A H > S+ 0 0 58 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.910 122.7 51.5 -56.7 -40.3 0.9 39.8 81.0 25 20 A K H >4 S+ 0 0 150 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.907 111.4 45.9 -64.7 -45.8 -2.4 38.2 80.2 26 21 A E H >4 S+ 0 0 18 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.878 107.3 59.0 -61.7 -39.4 -1.7 38.0 76.5 27 22 A A H >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.716 86.9 75.7 -71.5 -16.2 1.8 36.7 77.1 28 23 A Q T << S+ 0 0 115 -4,-1.0 -1,-0.3 -3,-0.5 3,-0.3 0.773 91.2 56.6 -62.9 -23.5 0.5 33.6 79.0 29 24 A N T < S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.3 0.448 97.0 71.2 -80.7 -3.4 -0.5 32.2 75.6 30 25 A F < + 0 0 7 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 -0.539 69.4 108.6-122.4 60.3 3.1 32.5 74.3 31 26 A D S >> S- 0 0 43 -2,-0.3 4,-2.3 -3,-0.3 3,-1.4 -0.827 82.2 -92.5-126.8 171.7 5.2 30.0 76.0 32 27 A A H 3> S+ 0 0 41 1,-0.3 4,-2.0 -2,-0.3 5,-0.1 0.889 120.2 58.8 -59.4 -36.1 6.8 26.8 75.0 33 28 A Q H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.2 13,-0.1 0.774 109.7 44.2 -63.3 -29.9 3.9 24.6 76.0 34 29 A H H X4 S+ 0 0 66 -3,-1.4 3,-1.2 2,-0.2 -1,-0.2 0.875 113.1 50.0 -78.6 -38.2 1.6 26.5 73.7 35 30 A Y H 3< S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.834 115.8 44.6 -66.1 -26.1 4.0 26.5 70.8 36 31 A F T 3< S+ 0 0 5 -4,-2.0 10,-2.3 -5,-0.3 -1,-0.2 0.254 83.1 140.9-104.2 13.4 4.6 22.8 71.3 37 32 A A < - 0 0 52 -3,-1.2 8,-0.1 8,-0.2 7,-0.1 -0.133 49.6-123.3 -57.8 145.5 0.9 21.8 71.7 38 33 A S - 0 0 36 5,-0.4 7,-0.1 2,-0.1 -1,-0.1 -0.297 6.7-140.3 -75.3 171.4 -0.3 18.6 70.0 39 34 A L S S+ 0 0 159 2,-0.1 -1,-0.1 -2,-0.1 6,-0.0 0.768 78.7 80.0-103.7 -31.0 -3.1 18.5 67.5 40 35 A T S S- 0 0 101 4,-0.1 3,-0.5 1,-0.1 2,-0.2 -0.318 84.4-120.4 -58.3 148.6 -4.8 15.3 68.6 41 36 A P S S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.595 101.2 42.5 -78.8 164.3 -7.1 15.6 71.7 42 37 A G S S+ 0 0 97 -2,-0.2 2,-0.5 1,-0.2 -2,-0.1 0.491 97.9 119.7 72.3 7.9 -6.0 13.3 74.6 43 38 A A - 0 0 45 -3,-0.5 -5,-0.4 -5,-0.0 -1,-0.2 -0.905 57.7-141.9-121.7 123.5 -2.5 14.5 73.7 44 39 A A - 0 0 90 -2,-0.5 -4,-0.1 1,-0.1 3,-0.1 -0.364 34.1 -97.0 -74.4 154.3 0.0 16.4 75.8 45 40 A A - 0 0 36 1,-0.1 2,-0.4 -8,-0.1 -8,-0.2 -0.309 51.7 -86.6 -62.5 156.8 2.3 19.1 74.4 46 41 A W + 0 0 28 -10,-2.3 -1,-0.1 -14,-0.1 -10,-0.1 -0.560 47.6 176.8 -69.1 128.8 5.8 18.0 73.4 47 42 A N - 0 0 146 -2,-0.4 -1,-0.1 -3,-0.1 -14,-0.0 -0.776 19.1-155.2-131.3 81.9 8.0 18.3 76.4 48 43 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 168,-0.0 -0.272 8.3-134.4 -70.2 145.7 11.3 17.1 75.2 49 44 A S - 0 0 87 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.689 41.9 -89.5 -84.5 155.0 13.9 15.6 77.5 50 45 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.090 51.5 -84.0 -60.4 154.7 17.4 16.9 76.9 51 46 A I - 0 0 20 136,-0.1 2,-0.4 -3,-0.1 168,-0.0 -0.398 47.1-161.2 -58.3 133.9 19.7 15.2 74.5 52 47 A T - 0 0 95 -3,-0.1 -1,-0.0 -2,-0.0 -3,-0.0 -0.989 7.8-140.7-124.4 124.1 21.5 12.3 76.2 53 48 A L - 0 0 71 -2,-0.4 2,-0.1 1,-0.1 38,-0.0 -0.697 17.5-125.0 -92.7 146.5 24.6 10.8 74.8 54 49 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.310 20.2-116.6 -81.0 164.3 25.3 7.1 74.9 55 50 A A S S+ 0 0 105 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.866 106.9 23.9 -69.9 -29.3 28.3 5.5 76.4 56 51 A Q S S- 0 0 154 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 -0.993 83.5-133.3-133.4 126.3 29.1 4.3 72.9 57 52 A P - 0 0 31 0, 0.0 35,-0.2 0, 0.0 3,-0.1 -0.375 12.1-132.8 -75.5 163.9 28.0 5.8 69.6 58 53 A D S S+ 0 0 71 33,-1.8 2,-0.3 1,-0.2 34,-0.2 0.838 90.7 15.5 -75.8 -37.4 26.7 3.8 66.7 59 54 A F E -c 92 0B 21 32,-1.6 34,-2.8 2,-0.0 2,-0.4 -0.964 64.3-155.2-140.0 148.2 28.9 5.6 64.2 60 55 A V E -c 93 0B 27 -2,-0.3 10,-3.0 32,-0.2 11,-2.0 -0.977 5.5-160.6-128.2 124.7 32.0 7.7 64.4 61 56 A V E +cd 94 71B 0 32,-2.8 34,-3.0 -2,-0.4 11,-0.2 -0.830 37.4 117.1-105.0 133.8 33.0 10.3 61.7 62 57 A G - 0 0 1 9,-1.8 3,-0.1 -2,-0.4 35,-0.1 -0.961 62.9 -40.4-171.6-173.7 36.6 11.3 61.7 63 58 A P S > S- 0 0 63 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.373 72.3 -90.3 -69.4 145.5 39.8 11.4 59.8 64 59 A A T 3 S+ 0 0 82 1,-0.2 3,-0.1 8,-0.1 6,-0.0 -0.262 109.5 16.8 -58.4 132.5 40.8 8.3 57.9 65 60 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.2 4,-0.1 2,-0.2 0.286 88.9 133.3 90.3 -8.9 42.9 5.8 59.9 66 61 A T X - 0 0 56 -3,-1.8 3,-1.7 1,-0.1 -1,-0.3 -0.496 68.5 -91.3 -76.3 144.2 42.0 7.3 63.3 67 62 A Q T 3 S+ 0 0 190 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.295 106.4 8.3 -59.5 126.9 41.0 4.8 65.9 68 63 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.313 88.0 139.3 90.5 -8.0 37.4 4.1 66.2 69 64 A V < + 0 0 32 -3,-1.7 -1,-0.3 -6,-0.2 -8,-0.2 -0.532 25.2 177.6 -70.0 132.4 36.4 6.0 63.1 70 65 A T + 0 0 73 -10,-3.0 2,-0.3 1,-0.3 -9,-0.2 0.691 66.7 18.2 -99.8 -33.7 33.7 4.2 61.0 71 66 A H B -d 61 0B 48 -11,-2.0 -9,-1.8 1,-0.1 -1,-0.3 -0.967 53.0-149.9-143.6 152.9 33.2 6.9 58.3 72 67 A T S S+ 0 0 79 -2,-0.3 2,-0.4 -11,-0.2 -8,-0.1 0.470 84.9 48.4-106.1 -8.6 35.1 9.9 56.8 73 68 A T S > S- 0 0 65 1,-0.1 4,-1.2 -10,-0.1 5,-0.1 -0.967 75.3-132.9-128.9 154.7 32.1 11.9 55.7 74 69 A I H > S+ 0 0 7 -2,-0.4 4,-2.6 1,-0.2 3,-0.4 0.926 105.7 57.3 -75.9 -36.0 29.0 12.7 57.6 75 70 A Q H > S+ 0 0 4 27,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.888 103.7 54.4 -59.6 -38.8 26.7 11.8 54.8 76 71 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.853 109.7 46.3 -63.3 -39.2 28.1 8.3 54.8 77 72 A A H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.2 0.863 111.5 51.5 -69.8 -43.0 27.4 7.8 58.4 78 73 A V H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 3,-0.3 0.938 110.4 49.9 -56.3 -47.6 23.9 9.1 58.1 79 74 A D H X S+ 0 0 20 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.914 108.1 52.4 -56.9 -41.2 23.3 6.7 55.2 80 75 A A H < S+ 0 0 19 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.799 111.5 47.4 -66.9 -31.1 24.6 3.8 57.3 81 76 A A H >< S+ 0 0 1 -4,-1.6 3,-0.9 -3,-0.3 5,-0.4 0.899 112.6 48.4 -70.2 -45.9 22.2 4.8 60.0 82 77 A I H >< S+ 0 0 14 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.905 100.5 63.2 -65.8 -40.0 19.2 5.1 57.7 83 78 A I T 3< S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.680 89.2 71.4 -61.9 -20.6 19.8 1.8 55.8 84 79 A K T < S- 0 0 110 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.727 89.6-148.8 -66.8 -22.8 19.2 -0.1 59.1 85 80 A R < + 0 0 168 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.1 0.856 40.1 156.0 56.0 43.3 15.4 0.8 58.9 86 81 A T - 0 0 45 -5,-0.4 24,-0.3 2,-0.2 -1,-0.2 -0.710 51.8-146.9-105.4 152.0 15.2 0.9 62.7 87 82 A N S S+ 0 0 134 -2,-0.3 24,-0.5 23,-0.1 2,-0.2 0.581 75.5 98.0 -83.3 -14.4 12.8 2.7 65.1 88 83 A K S S- 0 0 156 22,-0.2 -2,-0.2 1,-0.1 2,-0.1 -0.492 85.2-104.4 -80.2 144.3 15.5 3.1 67.6 89 84 A R - 0 0 62 -2,-0.2 2,-0.4 21,-0.1 23,-0.2 -0.419 34.5-151.0 -65.6 137.0 17.5 6.3 67.9 90 85 A Q E - e 0 112B 9 21,-2.1 23,-2.9 -2,-0.1 2,-0.4 -0.919 1.2-147.0-115.9 142.6 21.0 6.2 66.4 91 86 A Y E - e 0 113B 44 -2,-0.4 -33,-1.8 21,-0.2 -32,-1.6 -0.946 9.4-170.3-115.9 127.2 23.9 8.3 67.5 92 87 A I E -ce 59 114B 0 21,-2.9 23,-2.3 -2,-0.4 2,-0.3 -0.972 9.7-157.3-119.3 112.8 26.6 9.6 65.2 93 88 A A E -ce 60 115B 5 -34,-2.8 -32,-2.8 -2,-0.5 2,-0.5 -0.763 4.7-155.5 -88.1 140.1 29.7 11.1 66.9 94 89 A V E -ce 61 116B 0 21,-2.6 23,-2.2 -2,-0.3 24,-0.3 -0.978 10.3-140.2-121.9 120.9 31.7 13.6 64.9 95 90 A M - 0 0 50 -34,-3.0 23,-0.1 -2,-0.5 21,-0.0 -0.394 42.0 -75.4 -74.2 153.1 35.4 14.1 65.8 96 91 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 28,-0.3 -0.208 86.8 90.0 -49.2 134.7 37.0 17.5 65.7 97 92 A G E S-f 124 0B 16 26,-1.7 28,-2.5 -3,-0.1 2,-0.5 -0.929 76.3 -76.1 160.8-178.0 37.7 18.6 62.1 98 93 A E E -f 125 0B 138 -2,-0.3 2,-0.6 26,-0.2 28,-0.2 -0.952 36.2-168.0-113.3 130.4 36.4 20.4 59.0 99 94 A Y E -f 126 0B 27 26,-2.9 28,-2.0 -2,-0.5 2,-0.5 -0.928 6.2-159.8-125.5 101.4 33.9 18.4 57.0 100 95 A Q E +f 127 0B 175 -2,-0.6 28,-0.2 26,-0.2 2,-0.2 -0.709 49.1 53.5 -87.8 129.1 33.2 20.0 53.6 101 96 A G S S- 0 0 9 26,-2.5 26,-0.2 -2,-0.5 42,-0.1 -0.480 84.1 -62.5 135.4 162.6 29.9 19.0 51.9 102 97 A T - 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