==== 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 14-FEB-09 3G9U . COMPND 2 MOLECULE: ESTERASE/LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.Y.HWANG,K.H.NAM . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 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 . 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 0 0 2 0 0 2 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 2 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 A 0 0 89 0, 0.0 262,-0.1 0, 0.0 263,-0.0 0.000 360.0 360.0 360.0 123.6 -26.1 -22.6 16.0 2 3 A G > - 0 0 22 1,-0.1 4,-1.5 4,-0.0 5,-0.2 -0.141 360.0-114.9 -56.4 157.9 -26.6 -18.8 15.9 3 4 A P H > S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.839 112.4 61.6 -67.2 -26.6 -24.6 -16.8 13.4 4 5 A E H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 104.8 44.6 -62.7 -45.2 -22.8 -15.1 16.3 5 6 A I H > S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.872 112.6 51.7 -69.2 -42.8 -21.2 -18.2 17.8 6 7 A V H X S+ 0 0 84 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.956 114.7 43.2 -54.1 -53.9 -20.2 -19.6 14.3 7 8 A K H X S+ 0 0 147 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.850 115.2 49.6 -60.3 -36.9 -18.5 -16.2 13.5 8 9 A L H X S+ 0 0 9 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.925 108.9 52.6 -72.1 -40.7 -17.0 -16.1 17.0 9 10 A K H X S+ 0 0 27 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.924 109.8 48.4 -57.4 -46.1 -15.7 -19.7 16.7 10 11 A K H X S+ 0 0 142 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 111.9 48.7 -61.4 -50.3 -14.0 -18.8 13.4 11 12 A I H X S+ 0 0 76 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.939 111.2 50.8 -53.4 -51.1 -12.4 -15.7 14.9 12 13 A L H X S+ 0 0 34 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.868 109.0 50.9 -57.8 -41.7 -11.1 -17.6 17.9 13 14 A R H < S+ 0 0 121 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.918 108.8 51.4 -62.7 -42.4 -9.6 -20.3 15.7 14 15 A E H < S+ 0 0 143 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.6 43.8 -58.2 -41.5 -7.7 -17.8 13.5 15 16 A K H < S+ 0 0 169 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.641 89.7 109.8 -82.4 -20.9 -6.2 -16.0 16.6 16 17 A A S < S- 0 0 55 -4,-1.1 176,-0.1 -3,-0.3 -3,-0.0 -0.262 73.3-118.7 -61.9 144.9 -5.2 -19.2 18.5 17 18 A V - 0 0 82 1,-0.1 3,-0.1 4,-0.1 -1,-0.1 -0.665 45.5 -94.6 -79.8 134.3 -1.5 -20.1 18.8 18 19 A P > - 0 0 86 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.081 52.4 -83.0 -51.1 154.7 -0.9 -23.5 17.1 19 20 A P T 3 S+ 0 0 140 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.361 112.4 16.0 -62.8 126.0 -1.0 -26.6 19.3 20 21 A G T 3 S+ 0 0 74 1,-0.4 2,-0.2 -3,-0.1 -3,-0.0 0.011 82.7 125.9 105.3 -31.6 2.3 -27.2 21.1 21 22 A T < - 0 0 80 -3,-1.0 2,-0.7 1,-0.1 -1,-0.4 -0.481 61.1-130.0 -58.2 129.5 4.0 -23.8 20.7 22 23 A E - 0 0 163 -2,-0.2 -1,-0.1 -3,-0.1 174,-0.0 -0.816 19.0-160.7 -90.4 109.5 5.0 -22.8 24.2 23 24 A V - 0 0 44 -2,-0.7 5,-0.1 -6,-0.1 -3,-0.0 -0.834 25.8-116.5 -90.3 125.4 3.9 -19.2 24.9 24 25 A P > - 0 0 71 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.225 22.4-116.4 -58.2 148.9 5.8 -17.7 27.9 25 26 A L H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 114.5 51.3 -53.6 -51.7 3.7 -16.8 31.0 26 27 A D H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.827 110.4 51.1 -59.0 -30.4 4.5 -13.1 30.8 27 28 A V H > S+ 0 0 73 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.942 110.9 47.1 -70.5 -47.3 3.4 -13.2 27.1 28 29 A M H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 112.6 50.9 -56.0 -44.9 0.1 -14.9 27.9 29 30 A R H X S+ 0 0 58 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.890 113.3 43.6 -59.2 -43.1 -0.6 -12.4 30.8 30 31 A K H X S+ 0 0 132 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.915 112.4 52.6 -75.5 -42.1 0.0 -9.4 28.7 31 32 A G H X S+ 0 0 32 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.891 108.9 49.8 -56.3 -45.7 -1.9 -10.8 25.8 32 33 A M H < S+ 0 0 49 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.902 113.7 46.9 -62.5 -39.9 -4.9 -11.4 28.1 33 34 A E H >< S+ 0 0 69 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.909 110.0 52.7 -65.3 -44.9 -4.6 -7.8 29.4 34 35 A K H 3< S+ 0 0 172 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 113.5 42.0 -65.1 -34.1 -4.3 -6.3 25.9 35 36 A V T 3< S+ 0 0 96 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.419 83.4 129.6 -93.5 2.3 -7.5 -8.1 24.6 36 37 A A < - 0 0 27 -3,-0.9 2,-0.2 -4,-0.4 48,-0.1 -0.307 64.4-114.3 -57.7 129.5 -9.6 -7.5 27.7 37 38 A F - 0 0 80 47,-0.3 50,-0.6 233,-0.1 2,-0.2 -0.531 27.9-119.4 -62.2 130.6 -13.1 -5.9 27.0 38 39 A K - 0 0 201 -2,-0.2 3,-0.1 48,-0.1 -1,-0.1 -0.549 36.5-111.0 -59.5 132.2 -13.5 -2.4 28.4 39 40 A A - 0 0 18 -2,-0.2 48,-0.1 1,-0.1 -1,-0.1 -0.343 41.9 -82.4 -70.9 155.7 -16.4 -2.4 30.9 40 41 A A > - 0 0 35 47,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.208 40.6-120.0 -54.5 144.9 -19.7 -0.5 30.0 41 42 A D T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.629 110.6 61.4 -78.9 1.1 -19.4 3.1 30.8 42 43 A D T 3 S+ 0 0 79 2,-0.1 2,-0.5 19,-0.0 -1,-0.3 0.365 84.4 97.6 -96.2 2.3 -22.3 3.1 33.3 43 44 A I < - 0 0 14 -3,-2.2 2,-0.3 17,-0.2 17,-0.2 -0.769 63.5-158.1 -85.2 120.6 -20.3 0.5 35.4 44 45 A Q E -A 59 0A 156 15,-2.8 15,-3.1 -2,-0.5 2,-0.4 -0.802 4.9-157.6-112.6 165.4 -18.5 2.1 38.2 45 46 A V E -A 58 0A 49 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.926 11.2-167.0-136.3 143.7 -15.6 1.0 40.1 46 47 A E E -A 57 0A 85 11,-1.8 11,-2.8 -2,-0.4 2,-0.4 -0.955 21.7-135.7-139.5 121.1 -14.0 1.6 43.5 47 48 A Q E +A 56 0A 161 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.618 35.0 162.4 -79.5 127.6 -10.5 0.4 44.3 48 49 A V E -A 55 0A 28 7,-1.6 7,-2.1 -2,-0.4 2,-0.5 -0.894 35.6-122.8-133.8 163.4 -10.3 -1.3 47.8 49 50 A T E -A 54 0A 110 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.959 29.7-179.9-117.2 132.2 -7.8 -3.5 49.4 50 51 A V E > -A 53 0A 0 3,-2.6 3,-2.1 -2,-0.5 73,-0.1 -0.989 65.6 -15.7-133.8 119.9 -9.0 -6.9 50.8 51 52 A A T 3 S- 0 0 42 -2,-0.4 -1,-0.1 1,-0.3 72,-0.1 0.910 127.5 -54.1 55.3 44.4 -7.0 -9.6 52.6 52 53 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.571 119.1 108.1 62.7 13.2 -3.8 -8.0 51.4 53 54 A C E < S-A 50 0A 11 -3,-2.1 -3,-2.6 66,-0.1 -1,-0.2 -0.885 75.5-109.3-115.7 151.0 -5.0 -8.1 47.7 54 55 A A E +A 49 0A 48 50,-0.5 50,-2.8 -2,-0.3 2,-0.3 -0.556 47.4 167.0 -68.7 141.5 -6.1 -5.4 45.3 55 56 A A E -AB 48 103A 2 -7,-2.1 -7,-1.6 48,-0.2 2,-0.3 -0.901 23.9-144.1-140.2 169.9 -9.8 -5.6 44.6 56 57 A E E -AB 47 102A 9 46,-1.3 46,-3.7 -2,-0.3 2,-0.5 -0.992 14.7-133.8-133.3 143.0 -12.5 -3.5 43.0 57 58 A W E -AB 46 101A 17 -11,-2.8 -11,-1.8 -2,-0.3 2,-0.6 -0.812 26.9-160.3 -81.7 127.7 -16.1 -3.0 43.9 58 59 A V E -AB 45 100A 0 42,-2.7 42,-2.8 -2,-0.5 2,-0.5 -0.964 12.7-179.7-119.9 113.9 -17.8 -3.2 40.6 59 60 A R E -A 44 0A 96 -15,-3.1 -15,-2.8 -2,-0.6 40,-0.1 -0.945 10.8-166.1-127.5 112.5 -21.2 -1.7 40.6 60 61 A A > - 0 0 6 -2,-0.5 3,-0.7 38,-0.3 -17,-0.2 -0.285 47.5 -77.2 -76.9 173.5 -23.5 -1.6 37.7 61 62 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 36,-0.2 -0.347 115.5 39.1 -66.3 154.9 -26.5 0.7 37.8 62 63 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.685 75.3 163.7 81.1 20.8 -29.4 -0.7 40.0 63 64 A C < - 0 0 36 -3,-0.7 2,-0.5 35,-0.1 35,-0.2 -0.484 35.3-127.2 -78.3 133.7 -27.5 -2.3 42.9 64 65 A Q > - 0 0 96 33,-2.4 3,-1.7 -2,-0.3 35,-0.4 -0.691 24.5-116.7 -78.8 124.6 -29.2 -3.2 46.1 65 66 A A T 3 S+ 0 0 90 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.345 99.6 24.7 -45.1 124.0 -27.7 -1.8 49.3 66 67 A G T 3 S+ 0 0 38 1,-0.3 67,-0.3 -2,-0.1 2,-0.3 0.222 97.5 102.5 104.6 -16.9 -26.6 -4.7 51.4 67 68 A K < + 0 0 58 -3,-1.7 32,-0.8 30,-0.1 -1,-0.3 -0.755 43.5 174.1-103.6 148.8 -26.0 -7.4 48.7 68 69 A A E -cd 99 137A 0 68,-1.6 70,-1.8 -2,-0.3 2,-0.5 -0.992 24.6-145.7-150.4 152.3 -22.6 -8.6 47.3 69 70 A I E -cd 100 138A 0 30,-2.2 32,-4.7 -2,-0.3 2,-0.8 -0.978 13.9-146.7-112.2 120.1 -20.9 -11.1 45.0 70 71 A L E -cd 101 139A 0 68,-2.7 70,-2.7 -2,-0.5 2,-0.5 -0.846 28.0-158.3 -71.6 111.5 -17.5 -12.3 45.8 71 72 A Y E -cd 102 140A 0 30,-2.8 32,-1.5 -2,-0.8 2,-0.6 -0.875 12.3-164.4-103.6 124.2 -16.2 -12.7 42.3 72 73 A L E - d 0 141A 0 68,-3.1 70,-1.0 -2,-0.5 77,-0.2 -0.923 18.3-141.8-110.3 110.1 -13.3 -15.1 41.4 73 74 A H - 0 0 0 -2,-0.6 4,-0.2 30,-0.5 75,-0.1 -0.162 9.8-122.8 -77.4 155.1 -11.7 -14.5 38.0 74 75 A G + 0 0 0 70,-0.2 69,-0.1 71,-0.1 -1,-0.1 -0.180 54.1 125.3 -84.3-174.3 -10.4 -17.2 35.6 75 76 A G S >> S- 0 0 10 5,-0.1 3,-2.3 67,-0.1 4,-2.0 0.496 88.1 -86.2 125.1 18.9 -7.0 -17.4 34.1 76 77 A G T 34 S- 0 0 3 1,-0.3 128,-0.2 2,-0.2 -2,-0.1 0.703 76.4 -71.8 63.5 22.2 -5.9 -21.0 35.0 77 78 A Y T 34 S+ 0 0 1 2,-0.3 31,-2.8 -4,-0.2 -1,-0.3 0.485 134.4 73.7 67.2 6.0 -4.6 -19.9 38.4 78 79 A V T <4 S+ 0 0 0 -3,-2.3 2,-0.2 29,-0.2 -2,-0.2 0.531 100.7 11.7-123.2 -14.5 -1.7 -18.2 36.6 79 80 A M S < S+ 0 0 33 -4,-2.0 -2,-0.3 -51,-0.1 -1,-0.1 -0.778 71.0 92.8-152.8-169.9 -3.2 -15.1 34.9 80 81 A G - 0 0 7 -2,-0.2 2,-0.3 -51,-0.2 -5,-0.1 -0.084 41.1-168.9 90.7 157.8 -6.3 -12.9 34.7 81 82 A S > - 0 0 16 -2,-0.1 4,-1.0 1,-0.1 -7,-0.1 -0.914 45.5 -77.3-160.4-175.7 -6.8 -9.7 36.8 82 83 A I H > S+ 0 0 19 -2,-0.3 4,-1.3 1,-0.2 3,-0.3 0.899 129.6 53.0 -57.8 -44.1 -9.4 -7.2 37.8 83 84 A N H 4 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.890 103.8 52.2 -59.3 -49.3 -8.9 -5.7 34.3 84 85 A T H 4 S+ 0 0 21 1,-0.2 -47,-0.3 2,-0.1 4,-0.2 0.793 122.7 31.5 -61.2 -23.5 -9.4 -8.9 32.2 85 86 A H H X S+ 0 0 9 -4,-1.0 4,-2.3 -3,-0.3 5,-0.2 0.535 87.4 96.2-117.8 -4.7 -12.7 -9.5 34.0 86 87 A R H X S+ 0 0 53 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.1 0.785 85.3 53.7 -60.5 -37.9 -14.2 -6.1 34.9 87 88 A S H > S+ 0 0 7 -50,-0.6 4,-1.7 -4,-0.4 -47,-0.2 0.981 113.5 38.4 -60.5 -61.5 -16.4 -6.0 31.8 88 89 A M H > S+ 0 0 7 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.842 116.8 52.5 -59.9 -38.5 -18.2 -9.4 32.3 89 90 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.877 104.3 56.4 -69.5 -38.3 -18.4 -8.9 36.1 90 91 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.877 107.7 49.4 -57.4 -38.0 -20.0 -5.5 35.5 91 92 A E H X S+ 0 0 38 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.818 109.2 51.1 -74.8 -28.0 -22.7 -7.3 33.5 92 93 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.901 109.3 50.9 -73.0 -40.4 -23.2 -9.8 36.3 93 94 A S H X>S+ 0 0 0 -4,-2.8 5,-1.2 2,-0.2 4,-1.0 0.927 111.6 48.7 -56.3 -41.9 -23.6 -6.9 38.7 94 95 A R H ><5S+ 0 0 77 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.939 113.9 45.6 -62.9 -47.0 -26.2 -5.5 36.3 95 96 A A H 3<5S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 120.1 37.9 -71.5 -33.9 -28.1 -8.8 36.0 96 97 A S H 3<5S- 0 0 1 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.469 97.9-131.6 -98.1 -4.2 -28.1 -9.6 39.7 97 98 A Q T <<5S+ 0 0 78 -4,-1.0 -33,-2.4 -3,-0.6 2,-0.3 0.889 72.5 110.9 51.8 43.5 -28.7 -6.0 41.0 98 99 A A S - 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