==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(CARBOXYLIC ESTERASE) 29-JUL-91 3TGL . COMPND 2 MOLECULE: TRIACYL-GLYCEROL ACYLHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOMUCOR MIEHEI; . AUTHOR L.BRADY,A.M.BRZOZOWSKI,Z.S.DEREWENDA,E.J.DODSON,G.G.DODSON, . 265 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 0.4 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 . 1 0.4 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 0 3 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 . 1 0 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 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 5 A G 0 0 81 0, 0.0 231,-1.8 0, 0.0 232,-0.5 0.000 360.0 360.0 360.0 162.0 14.0 44.0 34.4 2 6 A I E +A 231 0A 77 229,-0.2 2,-0.3 230,-0.1 229,-0.2 -0.999 360.0 156.5-126.5 126.9 10.8 45.9 33.6 3 7 A R E -A 230 0A 95 227,-2.2 227,-3.4 -2,-0.4 2,-0.3 -0.970 42.9 -97.9-149.8 166.8 10.3 47.2 30.0 4 8 A A E -A 229 0A 74 -2,-0.3 225,-0.2 225,-0.2 2,-0.2 -0.647 38.0-115.5 -89.3 145.1 7.5 48.1 27.7 5 9 A A - 0 0 16 223,-2.5 223,-0.3 -2,-0.3 2,-0.1 -0.477 33.0-121.5 -78.7 148.1 6.2 45.6 25.2 6 10 A T > - 0 0 70 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.323 23.3-104.7 -83.2 163.7 6.6 46.6 21.5 7 11 A S H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 123.2 50.2 -58.7 -47.6 4.0 47.0 18.9 8 12 A Q H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 108.2 52.0 -61.0 -45.8 4.9 43.7 17.4 9 13 A E H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.914 110.3 49.1 -63.6 -39.6 4.8 42.0 20.8 10 14 A I H X S+ 0 0 24 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.947 109.0 53.7 -64.1 -37.7 1.2 43.4 21.4 11 15 A N H X S+ 0 0 97 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.917 111.2 45.4 -61.0 -45.7 0.1 42.2 17.9 12 16 A E H X S+ 0 0 51 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.946 112.0 49.5 -66.7 -47.2 1.3 38.7 18.7 13 17 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.821 110.3 51.5 -63.5 -29.8 -0.3 38.5 22.1 14 18 A T H X S+ 0 0 35 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.857 106.6 55.9 -73.3 -36.4 -3.7 39.8 20.6 15 19 A Y H X S+ 0 0 52 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.971 112.1 41.0 -60.4 -51.8 -3.5 37.0 17.9 16 20 A Y H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.913 111.4 55.6 -66.1 -40.4 -3.2 34.3 20.7 17 21 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.896 107.6 52.0 -59.0 -40.3 -5.9 36.0 22.9 18 22 A T H X S+ 0 0 13 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.913 108.0 49.0 -61.8 -45.8 -8.3 35.8 19.7 19 23 A L H X S+ 0 0 3 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.966 114.7 47.2 -58.8 -49.7 -7.7 32.1 19.3 20 24 A S H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 57,-0.2 0.915 113.4 47.0 -55.8 -47.6 -8.4 31.7 23.0 21 25 A A H >< S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.2 241,-0.4 0.924 109.0 55.7 -63.4 -45.6 -11.5 33.8 22.9 22 26 A N H >< S+ 0 0 2 -4,-3.2 3,-1.7 1,-0.3 7,-0.3 0.682 93.0 69.6 -60.6 -28.4 -12.8 32.0 19.8 23 27 A S T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.668 86.0 66.6 -65.8 -16.1 -12.6 28.7 21.5 24 28 A Y T < S+ 0 0 12 -3,-1.5 2,-0.5 -4,-0.3 -1,-0.3 0.522 80.0 100.4 -82.8 -3.7 -15.6 29.6 23.8 25 29 A a S X> S- 0 0 4 -3,-1.7 4,-2.0 1,-0.2 3,-1.6 -0.758 71.9-143.3 -84.3 124.9 -17.9 29.6 20.6 26 30 A R T 34>S+ 0 0 141 -2,-0.5 5,-2.2 1,-0.3 6,-0.2 0.773 100.5 59.4 -62.9 -22.7 -19.9 26.4 20.4 27 31 A T T 345S+ 0 0 56 8,-0.2 6,-2.3 4,-0.2 8,-0.3 0.722 109.6 43.4 -76.7 -15.4 -19.5 26.5 16.5 28 32 A V T <>5S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.3 -2,-0.2 0.833 117.0 47.2 -89.0 -54.2 -15.7 26.5 16.9 29 33 A I T <5S- 0 0 0 -4,-2.0 -1,-0.3 -7,-0.3 -2,-0.1 -0.937 137.8 -2.5-129.2 112.7 -15.6 23.6 19.7 30 34 A P T 45S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -3,-0.2 -0.954 130.2 66.4 -93.2 9.7 -17.3 21.3 19.1 31 35 A G T 4 S- 0 0 26 -2,-1.3 3,-1.4 1,-0.1 4,-0.3 -0.983 82.5-103.2-160.6 162.0 -18.2 33.4 14.8 37 41 A I G > S+ 0 0 145 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.941 119.9 36.3 -60.8 -47.4 -17.8 37.2 14.7 38 42 A H G > S+ 0 0 63 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.220 92.8 95.4 -93.1 22.0 -14.1 37.3 15.5 39 43 A b G <> + 0 0 0 -3,-1.4 4,-0.7 1,-0.3 3,-0.4 0.528 60.5 82.6 -83.8 -10.7 -13.3 34.2 13.5 40 44 A D G <4 S+ 0 0 108 -3,-0.7 3,-0.5 -4,-0.3 -1,-0.3 0.802 82.6 61.6 -62.9 -26.2 -12.4 36.0 10.7 41 45 A A T <4 S+ 0 0 49 -3,-0.7 -1,-0.2 1,-0.2 3,-0.2 0.849 120.6 24.6 -60.3 -38.6 -8.8 36.6 12.3 42 46 A T T >4 S+ 0 0 0 -3,-0.4 3,-2.0 -4,-0.3 -1,-0.2 0.324 85.7 114.5-118.6 11.5 -8.1 32.8 12.3 43 47 A E T 3< + 0 0 114 -4,-0.7 -1,-0.1 -3,-0.5 -2,-0.1 0.663 67.7 64.9 -67.4 -5.9 -10.3 31.6 9.6 44 48 A D T 3 S+ 0 0 78 -4,-0.2 22,-0.3 -3,-0.2 2,-0.3 0.493 80.3 102.9 -90.2 1.1 -7.5 30.5 7.3 45 49 A L S < S- 0 0 6 -3,-2.0 2,-0.7 20,-0.1 20,-0.2 -0.629 75.3-125.8 -84.7 140.0 -6.3 27.8 9.8 46 50 A K E -B 64 0A 118 18,-3.2 18,-3.2 -2,-0.3 2,-0.7 -0.778 19.4-137.0 -88.5 119.3 -7.3 24.3 9.1 47 51 A I E -B 63 0A 38 -2,-0.7 16,-0.3 16,-0.3 3,-0.1 -0.609 23.3-178.7 -73.0 107.9 -9.1 22.8 12.1 48 52 A I E - 0 0 52 14,-2.5 2,-0.3 -2,-0.7 15,-0.2 0.932 59.1 -27.6 -75.3 -43.1 -7.6 19.3 12.5 49 53 A K E -B 62 0A 84 13,-1.7 13,-2.9 2,-0.0 2,-0.3 -0.972 49.5-151.5-174.1 154.7 -9.7 18.2 15.5 50 54 A T E -B 61 0A 26 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.907 7.5-163.4-130.8 155.0 -11.7 19.1 18.5 51 55 A W E -B 60 0A 23 9,-2.4 9,-1.9 -2,-0.3 2,-0.3 -0.974 14.8-176.9-137.3 149.4 -12.6 17.5 21.8 52 56 A S E -B 59 0A 44 -2,-0.3 7,-0.3 7,-0.2 5,-0.1 -0.846 35.5-144.3-140.3 94.2 -15.3 18.2 24.6 53 57 A T - 0 0 17 5,-2.5 4,-0.4 -2,-0.3 61,-0.1 -0.280 5.7-128.3 -69.0 153.2 -14.4 15.5 27.2 54 58 A L S S+ 0 0 161 2,-0.2 -1,-0.1 3,-0.1 59,-0.0 0.833 93.7 27.7 -71.8 -42.7 -17.1 13.8 29.3 55 59 A I S S+ 0 0 124 1,-0.1 -1,-0.1 55,-0.1 55,-0.1 0.859 133.9 25.0 -91.4 -39.5 -16.1 14.1 32.9 56 60 A Y S S- 0 0 98 53,-0.1 -2,-0.2 54,-0.1 -1,-0.1 0.474 93.9-129.9-102.9 -1.8 -14.1 17.2 33.1 57 61 A D - 0 0 71 -4,-0.4 2,-0.5 1,-0.2 -3,-0.1 0.917 36.8-179.5 55.4 44.9 -15.6 18.9 30.1 58 62 A T - 0 0 8 52,-0.1 -5,-2.5 20,-0.0 2,-0.5 -0.671 7.9-164.2 -79.1 118.3 -12.1 19.7 28.6 59 63 A N E +B 52 0A 5 -2,-0.5 17,-3.2 17,-0.4 2,-0.3 -0.956 25.2 141.7-114.0 119.7 -12.7 21.7 25.3 60 64 A A E -BC 51 75A 0 -9,-1.9 -9,-2.4 -2,-0.5 2,-0.3 -0.971 27.5-157.6-154.5 169.1 -9.7 21.9 23.1 61 65 A M E -BC 50 74A 2 13,-2.4 13,-2.5 -2,-0.3 2,-0.4 -0.984 14.7-142.1-154.3 159.0 -8.6 21.8 19.5 62 66 A V E +BC 49 73A 0 -13,-2.9 -14,-2.5 -2,-0.3 -13,-1.7 -0.968 28.9 172.9-119.8 128.6 -5.7 21.2 17.2 63 67 A A E -BC 47 72A 0 9,-2.9 9,-3.0 -2,-0.4 2,-0.5 -0.966 20.5-143.1-136.8 154.5 -5.5 23.5 14.1 64 68 A R E -BC 46 71A 13 -18,-3.2 -18,-3.2 -2,-0.3 2,-0.7 -0.988 5.2-164.9-122.8 123.2 -2.8 23.9 11.4 65 69 A G E >> - C 0 70A 0 5,-3.0 5,-1.7 -2,-0.5 4,-0.8 -0.891 6.6-177.9-106.7 105.5 -1.8 27.3 9.8 66 70 A D T >45S+ 0 0 57 -2,-0.7 3,-0.6 -22,-0.3 -1,-0.2 0.954 85.4 46.0 -68.1 -45.6 0.3 26.5 6.6 67 71 A S T 345S+ 0 0 101 1,-0.3 -1,-0.2 -23,-0.2 -22,-0.1 0.879 119.7 43.5 -66.7 -30.1 1.0 30.1 5.6 68 72 A E T 345S- 0 0 58 2,-0.2 -1,-0.3 65,-0.0 -2,-0.2 0.514 101.3-139.7 -87.2 -12.0 2.0 30.7 9.3 69 73 A K T <<5 + 0 0 106 -4,-0.8 64,-2.4 -3,-0.6 2,-0.3 0.889 59.2 128.8 50.1 50.9 3.9 27.3 9.4 70 74 A T E < -Cd 65 133A 3 -5,-1.7 -5,-3.0 62,-0.2 2,-0.5 -0.948 56.5-147.1-138.4 144.8 2.4 26.7 12.9 71 75 A I E -Cd 64 134A 0 62,-2.3 64,-2.9 -2,-0.3 2,-0.4 -0.925 29.5-150.4-108.7 123.1 0.7 23.9 14.5 72 76 A Y E -Cd 63 135A 7 -9,-3.0 -9,-2.9 -2,-0.5 2,-0.5 -0.829 16.6-169.9-102.3 135.6 -1.8 25.5 17.1 73 77 A I E -Cd 62 136A 0 62,-3.2 64,-2.7 -2,-0.4 2,-0.4 -0.990 13.4-175.2-118.7 123.6 -3.1 23.9 20.2 74 78 A V E -Cd 61 137A 0 -13,-2.5 -13,-2.4 -2,-0.5 2,-0.4 -0.990 8.4-166.6-125.6 132.7 -6.0 25.9 21.9 75 79 A F E -Cd 60 138A 0 62,-2.2 64,-0.7 -2,-0.4 -15,-0.2 -0.958 15.7-138.6-113.9 131.4 -7.7 25.1 25.3 76 80 A R - 0 0 13 -17,-3.2 -17,-0.4 -2,-0.4 69,-0.1 -0.590 13.8-134.9 -86.6 154.5 -11.0 26.7 26.3 77 81 A G - 0 0 2 -57,-0.2 63,-0.1 1,-0.2 -1,-0.1 -0.025 56.5 -41.4 -84.6-161.6 -11.5 27.9 29.9 78 82 A S - 0 0 20 1,-0.1 3,-0.4 2,-0.1 -1,-0.2 -0.333 39.9-135.5 -60.7 143.5 -14.8 27.1 31.8 79 83 A S S S+ 0 0 62 1,-0.2 -1,-0.1 -22,-0.1 2,-0.1 0.495 108.1 36.7 -83.4 -2.5 -18.2 27.2 30.2 80 84 A S S > S+ 0 0 61 1,-0.1 4,-3.6 2,-0.0 5,-0.3 -0.677 75.0 170.9-141.1 68.7 -19.6 29.0 33.4 81 85 A I H > S+ 0 0 8 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.841 70.6 56.3 -56.0 -40.3 -16.6 31.2 34.4 82 86 A R H > S+ 0 0 142 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.908 114.9 41.3 -58.7 -43.6 -18.3 33.3 37.1 83 87 A N H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 110.0 57.3 -67.6 -40.8 -19.1 30.2 38.8 84 88 A W H X S+ 0 0 36 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.934 111.8 44.0 -55.6 -44.6 -15.8 28.6 38.0 85 89 A I H >< S+ 0 0 23 -4,-3.0 3,-0.8 -5,-0.3 -2,-0.2 0.989 110.5 52.5 -61.0 -52.3 -14.1 31.5 39.8 86 90 A A H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.907 119.4 36.9 -53.7 -41.1 -16.5 31.6 42.8 87 91 A D H 3< S+ 0 0 111 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.664 76.9 132.0 -97.0 -3.8 -15.9 27.9 43.4 88 92 A L << + 0 0 35 -4,-1.7 2,-0.4 -3,-0.8 -3,-0.0 -0.088 28.1 177.6 -51.4 129.8 -12.2 27.3 42.6 89 93 A T - 0 0 103 2,-0.0 2,-0.4 116,-0.0 17,-0.2 -0.990 22.9-134.9-129.8 135.7 -10.5 25.2 45.5 90 94 A F - 0 0 22 -2,-0.4 14,-0.1 14,-0.1 -2,-0.0 -0.854 19.0-175.1 -95.6 134.1 -6.9 24.2 45.1 91 95 A V - 0 0 63 -2,-0.4 14,-3.7 2,-0.0 15,-0.3 -0.907 19.0-146.4-134.7 96.5 -5.8 20.6 46.0 92 96 A P E +I 104 0B 57 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.472 28.2 167.1 -63.4 128.4 -2.0 20.3 45.7 93 97 A V E -I 103 0B 44 10,-2.8 10,-1.8 -2,-0.2 2,-0.1 -0.906 43.9 -78.5-138.6 162.4 -1.0 16.8 44.5 94 98 A S E -I 102 0B 78 -2,-0.3 8,-0.3 8,-0.2 5,-0.1 -0.362 37.4-133.8 -65.9 145.7 2.3 15.4 43.2 95 99 A Y > - 0 0 11 6,-2.5 3,-0.9 3,-0.4 6,-0.4 -0.870 21.3-145.1 -91.1 119.3 3.1 16.2 39.6 96 100 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.817 85.1 53.5 -59.3 -44.6 4.1 12.9 38.3 97 101 A P T 3 S+ 0 0 70 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 0.596 111.4 48.4 -62.1 -19.7 6.8 13.6 35.7 98 102 A V S X S- 0 0 32 -3,-0.9 3,-1.6 3,-0.1 -3,-0.4 -0.922 80.2-141.2-129.3 106.0 8.9 15.6 38.2 99 103 A S T 3 S+ 0 0 122 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.214 87.5 29.7 -61.6 143.0 9.6 14.3 41.6 100 104 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -5,-0.1 -1,-0.2 0.541 98.2 104.3 89.3 2.7 9.5 17.0 44.3 101 105 A T < - 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