==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-09 2W87 . COMPND 2 MOLECULE: ESTERASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR C.MONTAINER,A.L.V.BUEREN,C.DUMON,J.E.FLINT,M.A.CORREIA, . 276 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 43.5 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 . 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 . 2 0.7 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 . 44 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.5 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+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 6 2 0 2 2 2 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 4 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 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 9 A A 0 0 110 0, 0.0 2,-0.6 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 129.7 -16.4 24.9 17.5 2 10 A L E -A 128 0A 33 126,-2.6 126,-2.6 132,-0.1 2,-0.6 -0.803 360.0-162.8 -87.5 120.2 -14.1 22.6 15.6 3 11 A L E -A 127 0A 97 -2,-0.6 2,-0.6 124,-0.2 124,-0.2 -0.921 4.4-159.7-111.5 110.8 -15.5 19.1 15.7 4 12 A L E +A 126 0A 5 122,-3.3 122,-2.0 -2,-0.6 2,-0.3 -0.818 13.3 177.4-100.7 119.3 -13.0 16.5 14.7 5 13 A Q E > -A 125 0A 21 -2,-0.6 3,-1.0 4,-0.2 6,-0.2 -0.822 38.6 -90.4-110.3 151.8 -14.2 13.1 13.6 6 14 A E T 3 S+ 0 0 2 118,-0.5 22,-0.4 -2,-0.3 23,-0.1 -0.235 113.2 28.7 -44.6 146.4 -12.4 10.0 12.3 7 15 A A T 3 S+ 0 0 74 1,-0.2 2,-0.3 20,-0.1 -1,-0.2 0.713 106.1 96.1 67.6 22.7 -12.0 10.0 8.6 8 16 A Q S X S- 0 0 128 -3,-1.0 3,-2.1 1,-0.0 -1,-0.2 -0.927 88.4 -73.4-137.4 161.1 -12.0 13.8 8.4 9 17 A A T 3 S+ 0 0 77 -2,-0.3 -4,-0.2 1,-0.3 3,-0.1 -0.296 118.2 34.2 -55.7 135.0 -9.3 16.5 8.2 10 18 A G T 3 S+ 0 0 5 1,-0.3 34,-2.2 126,-0.3 2,-0.6 0.167 88.7 108.2 101.1 -15.7 -7.6 16.9 11.6 11 19 A F E < +F 43 0B 38 -3,-2.1 -1,-0.3 32,-0.2 32,-0.2 -0.863 40.7 170.0 -92.3 124.1 -7.8 13.3 12.5 12 20 A a E - 0 0 36 30,-2.9 2,-0.3 -2,-0.6 31,-0.2 0.842 45.7 -21.2-103.7 -45.9 -4.3 11.9 12.3 13 21 A R E -F 42 0B 96 29,-1.7 29,-2.9 2,-0.0 2,-0.3 -0.985 34.3-157.5-167.2 147.5 -4.0 8.4 13.8 14 22 A V E -F 41 0B 24 -2,-0.3 2,-1.4 27,-0.2 27,-0.2 -0.981 22.0-140.0-130.0 132.2 -5.3 5.7 16.1 15 23 A D S S+ 0 0 48 25,-2.7 19,-2.7 -2,-0.3 2,-0.3 -0.756 94.4 21.5 -81.4 88.8 -3.1 2.9 17.4 16 24 A G E S-B 33 0A 30 -2,-1.4 2,-0.3 17,-0.3 17,-0.2 -0.964 108.2 -51.7 146.8-138.6 -5.9 0.4 16.9 17 25 A T E -B 32 0A 72 15,-2.4 15,-3.4 -2,-0.3 2,-0.6 -0.892 32.8-116.5-135.4 162.4 -8.9 0.7 14.6 18 26 A I E -B 31 0A 71 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.943 48.0-179.7 -96.5 120.8 -11.8 2.9 13.6 19 27 A D E -B 30 0A 35 11,-2.7 11,-2.3 -2,-0.6 3,-0.0 -0.706 33.9-177.3-123.1 167.4 -14.9 0.9 14.5 20 28 A N + 0 0 110 -2,-0.2 5,-0.1 9,-0.2 -1,-0.1 0.108 51.0 112.6-151.6 24.3 -18.7 1.3 14.3 21 29 A N + 0 0 105 2,-0.1 2,-0.4 1,-0.0 8,-0.0 0.221 68.7 63.2 -95.2 11.5 -20.0 -1.8 16.0 22 30 A H S > S- 0 0 52 69,-0.1 3,-0.5 70,-0.0 70,-0.0 -0.996 86.3-121.3-129.5 135.1 -21.5 -0.1 19.1 23 31 A T T 3 S+ 0 0 102 -2,-0.4 -2,-0.1 1,-0.2 6,-0.0 -0.191 80.5 54.2 -70.3 159.5 -24.3 2.4 18.6 24 32 A G T 3 + 0 0 37 1,-0.3 -1,-0.2 69,-0.0 70,-0.1 0.283 69.7 122.3 109.3 -5.0 -24.3 6.1 19.7 25 33 A F < - 0 0 56 -3,-0.5 -1,-0.3 -5,-0.1 2,-0.3 -0.231 52.9-131.9 -75.7 172.5 -21.2 7.5 18.0 26 34 A T S > S+ 0 0 59 3,-0.4 3,-0.8 98,-0.1 2,-0.1 -0.793 70.2 20.3-123.5 163.6 -21.3 10.5 15.6 27 35 A G T 3 S- 0 0 53 -2,-0.3 -20,-0.1 1,-0.2 3,-0.0 -0.413 124.4 -39.9 68.3-154.2 -19.5 10.7 12.2 28 36 A S T 3 S- 0 0 67 -22,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.506 111.2 -57.5 -88.3 -3.0 -18.6 7.3 10.6 29 37 A G < - 0 0 0 -3,-0.8 -3,-0.4 95,-0.2 2,-0.3 -0.947 59.1 -75.8 167.9-145.4 -17.5 5.7 13.9 30 38 A F E -B 19 0A 0 -11,-2.3 -11,-2.7 -2,-0.3 2,-0.5 -0.974 38.0-103.1-151.6 154.3 -15.1 5.9 16.8 31 39 A A E -BC 18 123A 0 92,-3.0 92,-2.7 -2,-0.3 2,-0.6 -0.760 31.0-165.7 -85.1 127.2 -11.4 5.3 17.5 32 40 A N E -B 17 0A 41 -15,-3.4 -15,-2.4 -2,-0.5 90,-0.1 -0.913 12.3-149.2-115.3 101.6 -10.8 2.0 19.3 33 41 A T E -B 16 0A 2 -2,-0.6 -17,-0.3 88,-0.4 8,-0.1 -0.380 25.1 -98.4 -68.3 146.6 -7.2 1.8 20.7 34 42 A N - 0 0 93 -19,-2.7 2,-1.6 6,-0.1 86,-0.4 -0.269 45.2-104.9 -41.6 146.2 -5.2 -1.4 21.1 35 43 A N S S+ 0 0 118 84,-0.2 2,-0.3 -3,-0.1 84,-0.3 -0.617 84.8 105.6 -86.8 79.3 -5.5 -2.6 24.7 36 44 A A S > S- 0 0 43 -2,-1.6 3,-1.7 80,-0.2 78,-0.3 -0.985 78.8 -94.0-154.7 146.5 -2.0 -1.5 25.7 37 45 A Q T 3 S+ 0 0 144 -2,-0.3 78,-0.2 1,-0.2 80,-0.1 -0.360 111.3 22.7 -62.4 138.9 -0.5 1.3 27.7 38 46 A G T 3 S+ 0 0 38 76,-2.6 -1,-0.2 1,-0.3 77,-0.1 0.220 80.6 146.3 87.9 -14.9 0.5 4.2 25.6 39 47 A A < - 0 0 7 -3,-1.7 75,-2.5 74,-0.2 -1,-0.3 -0.360 35.1-160.7 -57.5 133.1 -1.9 3.4 22.7 40 48 A A E - G 0 113B 0 73,-0.2 -25,-2.7 -3,-0.1 2,-0.4 -0.736 34.0-149.6-124.9 159.8 -3.0 6.7 21.3 41 49 A V E -FG 14 112B 0 71,-2.2 71,-3.0 -2,-0.3 2,-0.4 -0.986 30.3-160.1-118.7 137.0 -5.5 8.8 19.3 42 50 A V E +FG 13 111B 4 -29,-2.9 -30,-2.9 -2,-0.4 -29,-1.7 -0.976 15.0 173.1-129.8 132.3 -4.0 11.7 17.5 43 51 A W E -FG 11 110B 1 67,-2.5 67,-2.8 -2,-0.4 2,-0.4 -0.848 19.5-141.5-124.3 166.5 -5.4 14.9 16.1 44 52 A A E - G 0 109B 0 -34,-2.2 92,-2.6 -2,-0.3 2,-0.4 -0.995 15.8-175.3-135.5 129.3 -4.0 18.1 14.6 45 53 A I E -HG 135 108B 0 63,-2.9 63,-2.0 -2,-0.4 2,-0.5 -0.984 14.6-150.5-127.3 130.3 -5.3 21.6 15.2 46 54 A D E -HG 134 107B 51 88,-3.1 88,-2.1 -2,-0.4 2,-0.4 -0.894 16.0-166.7 -98.2 128.4 -4.1 24.8 13.6 47 55 A A E -HG 133 106B 0 59,-2.2 59,-3.3 -2,-0.5 86,-0.2 -0.960 18.9-151.6-117.1 130.1 -4.6 27.9 15.8 48 56 A T S S+ 0 0 71 84,-2.3 2,-0.3 -2,-0.4 -1,-0.1 0.803 86.6 18.0 -73.4 -24.2 -4.3 31.4 14.4 49 57 A S S S- 0 0 66 83,-0.4 -1,-0.1 55,-0.1 54,-0.1 -0.979 88.0-104.6-140.8 151.6 -3.2 32.7 17.9 50 58 A S + 0 0 87 -2,-0.3 2,-0.2 55,-0.1 54,-0.2 -0.388 63.8 107.2 -70.8 153.6 -1.9 31.0 21.0 51 59 A G E -D 103 0A 22 52,-2.3 52,-2.2 -2,-0.1 2,-0.2 -0.807 66.3 -49.5 153.9 171.1 -4.4 30.7 23.9 52 60 A R E -D 102 0A 69 -2,-0.2 2,-0.3 50,-0.2 50,-0.2 -0.430 47.6-179.1 -73.5 130.4 -6.6 28.6 26.0 53 61 A R E -D 101 0A 7 48,-3.2 48,-2.9 -2,-0.2 2,-0.6 -0.937 25.8-128.0-121.0 153.7 -9.0 26.3 24.3 54 62 A T E -DE 100 129A 47 75,-2.5 75,-2.1 -2,-0.3 2,-0.5 -0.913 23.0-159.5 -98.7 122.9 -11.6 23.9 25.8 55 63 A L E -DE 99 128A 0 44,-3.3 44,-2.2 -2,-0.6 2,-0.5 -0.902 3.9-165.8-102.5 131.1 -11.2 20.4 24.5 56 64 A T E -DE 98 127A 39 71,-2.6 71,-2.8 -2,-0.5 2,-0.5 -0.982 2.2-164.7-120.9 118.7 -14.2 18.1 24.8 57 65 A I E -DE 97 126A 1 40,-3.0 40,-2.3 -2,-0.5 2,-0.5 -0.918 6.0-154.6-105.4 120.5 -13.6 14.4 24.3 58 66 A R E +DE 96 125A 72 67,-2.2 66,-2.7 -2,-0.5 67,-1.0 -0.840 30.7 156.7 -96.9 130.6 -16.7 12.2 23.7 59 67 A Y E -DE 95 123A 10 36,-3.0 36,-2.8 -2,-0.5 2,-0.4 -0.953 37.4-140.2-151.6 161.8 -16.1 8.6 24.7 60 68 A A E - E 0 122A 0 62,-2.2 62,-2.3 -2,-0.3 2,-0.4 -0.997 13.7-176.7-128.9 136.3 -17.5 5.2 25.8 61 69 A N + 0 0 0 32,-0.5 27,-2.8 29,-0.4 28,-1.1 -0.850 11.9 167.1-136.8 95.5 -16.0 3.0 28.5 62 70 A G + 0 0 28 -2,-0.4 29,-0.2 25,-0.2 -1,-0.1 0.229 51.4 102.4 -91.5 9.6 -17.8 -0.3 29.0 63 71 A G S S- 0 0 18 2,-0.2 26,-0.3 27,-0.1 25,-0.1 -0.190 83.6-111.7 -81.7-176.3 -14.9 -1.7 31.0 64 72 A T S S+ 0 0 103 2,-0.1 2,-0.3 23,-0.1 23,-0.1 0.457 90.3 44.5 -98.0 -4.5 -14.8 -1.9 34.8 65 73 A A S S- 0 0 31 21,-0.1 -2,-0.2 20,-0.1 211,-0.0 -0.899 92.2 -84.5-137.3 157.9 -12.1 0.7 35.5 66 74 A N - 0 0 40 211,-0.7 211,-0.1 -2,-0.3 -2,-0.1 -0.361 29.1-159.3 -53.5 146.1 -11.1 4.2 34.6 67 75 A R - 0 0 19 18,-2.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.577 22.0-170.5-126.7 63.7 -9.0 4.3 31.4 68 76 A N - 0 0 9 52,-0.1 47,-2.3 46,-0.1 48,-0.4 -0.119 5.7-145.4 -59.3 154.1 -7.4 7.7 32.0 69 77 A G E -IJ 83 114B 2 14,-2.6 14,-2.9 45,-0.2 2,-0.5 -0.859 11.4-134.3-121.2 154.3 -5.3 9.3 29.3 70 78 A S E -IJ 82 113B 43 43,-2.7 43,-2.7 -2,-0.3 2,-0.5 -0.917 23.5-159.1 -98.2 133.5 -2.3 11.5 29.0 71 79 A L E +IJ 81 112B 0 10,-3.0 10,-3.1 -2,-0.5 2,-0.3 -0.973 13.8 179.0-120.3 119.6 -2.9 14.4 26.6 72 80 A V E -IJ 80 111B 20 39,-2.4 39,-2.4 -2,-0.5 2,-0.5 -0.903 21.2-142.2-122.8 147.4 0.2 16.0 25.1 73 81 A I E >S- J 0 110B 0 6,-2.4 5,-2.3 -2,-0.3 3,-0.5 -0.938 84.2 -7.5-109.3 126.8 0.6 18.8 22.6 74 82 A N T > 5S- 0 0 43 35,-2.7 3,-1.6 -2,-0.5 -1,-0.2 0.896 131.5 -51.3 53.0 49.6 3.5 18.5 20.1 75 83 A G T 3 5S- 0 0 68 34,-0.5 -1,-0.2 1,-0.3 35,-0.1 0.792 106.6 -55.8 66.5 25.6 5.0 15.4 21.7 76 84 A G T > 5S+ 0 0 21 -3,-0.5 3,-0.7 3,-0.3 -1,-0.3 0.244 117.6 107.4 93.8 -13.0 5.1 17.1 25.1 77 85 A S T < 5S+ 0 0 105 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.799 90.1 32.4 -65.3 -30.0 7.1 20.1 24.0 78 86 A N T 3 S- 0 0 30 3,-0.3 3,-1.4 -29,-0.3 -29,-0.4 -0.927 77.1-111.3-173.2 155.6 -21.6 0.3 28.5 91 99 A W T 3 S+ 0 0 69 -2,-0.3 -69,-0.1 1,-0.3 -29,-0.1 0.604 120.0 54.8 -70.9 -10.5 -19.9 0.5 25.2 92 100 A T T 3 S+ 0 0 69 -31,-0.1 2,-0.5 -68,-0.1 -1,-0.3 0.404 90.6 86.2-100.3 0.3 -23.1 2.1 23.9 93 101 A T < - 0 0 53 -3,-1.4 -32,-0.5 2,-0.0 2,-0.4 -0.923 63.3-164.6-107.3 121.0 -23.2 4.9 26.5 94 102 A W + 0 0 20 -2,-0.5 2,-0.3 -34,-0.2 -34,-0.2 -0.857 13.0 168.1-109.3 141.4 -21.2 7.9 25.6 95 103 A Q E -D 59 0A 99 -36,-2.8 -36,-3.0 -2,-0.4 2,-0.4 -0.817 26.3-117.0-135.5 177.3 -20.1 10.7 27.9 96 104 A T E -D 58 0A 80 -2,-0.3 2,-0.4 -38,-0.2 -38,-0.2 -0.910 11.4-161.7-120.0 152.0 -17.7 13.7 27.6 97 105 A A E -D 57 0A 14 -40,-2.3 -40,-3.0 -2,-0.4 2,-0.4 -0.975 16.7-158.7-120.3 142.8 -14.5 14.7 29.4 98 106 A T E +D 56 0A 90 -2,-0.4 2,-0.3 -42,-0.2 -42,-0.2 -0.980 14.2 172.4-128.5 138.7 -13.4 18.3 29.2 99 107 A I E -D 55 0A 26 -44,-2.2 -44,-3.3 -2,-0.4 2,-0.4 -0.995 26.4-134.1-139.5 138.7 -10.0 19.8 29.7 100 108 A D E +D 54 0A 90 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.2 -0.804 33.0 176.5 -89.0 137.5 -8.7 23.4 29.1 101 109 A V E -D 53 0A 1 -48,-2.9 -48,-3.2 -2,-0.4 2,-0.7 -0.961 32.2-120.2-140.5 155.6 -5.4 23.5 27.3 102 110 A D E -D 52 0A 93 -2,-0.3 2,-0.3 -50,-0.2 -50,-0.2 -0.888 29.4-159.9-101.4 111.4 -3.1 26.1 25.9 103 111 A L E -D 51 0A 3 -52,-2.2 -52,-2.3 -2,-0.7 2,-0.2 -0.630 13.6-127.9 -85.1 147.4 -2.6 25.8 22.2 104 112 A V - 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J 0 69B 5 -75,-2.5 -76,-2.6 -2,-0.4 -45,-0.2 -0.377 19.0-164.7 -63.1 134.2 -3.6 5.3 27.4 115 123 A T S S+ 0 0 63 -47,-2.3 2,-0.3 4,-0.2 -1,-0.1 0.573 73.3 52.8 -90.8 -15.9 -2.1 5.4 31.0 116 124 A T S > S- 0 0 44 -48,-0.4 3,-1.8 3,-0.3 -80,-0.2 -0.778 92.7-106.4-118.4 166.6 -3.2 1.8 31.7 117 125 A A T 3 S+ 0 0 72 1,-0.3 -80,-0.1 -2,-0.3 3,-0.1 0.571 111.8 70.7 -69.2 -10.7 -2.8 -1.6 30.0 118 126 A E T 3 S- 0 0 71 1,-0.3 -1,-0.3 -82,-0.1 2,-0.1 0.576 98.3-138.4 -80.3 -9.6 -6.5 -1.5 29.0 119 127 A G < - 0 0 0 -3,-1.8 -1,-0.3 -84,-0.3 -3,-0.3 -0.457 41.2 -40.0 81.6-163.4 -5.8 1.2 26.5 120 128 A L - 0 0 0 -86,-0.4 -52,-0.1 1,-0.2 -87,-0.1 -0.428 61.5 -99.6 -87.1 168.4 -8.2 4.1 26.1 121 129 A P - 0 0 0 0, 0.0 -88,-0.4 0, 0.0 2,-0.4 -0.276 61.1 -76.9 -65.7 175.1 -12.0 4.1 26.1 122 130 A N E - E 0 60A 6 -62,-2.3 -62,-2.2 -90,-0.1 2,-0.6 -0.672 52.7-144.3 -73.3 133.1 -13.5 4.2 22.6 123 131 A I E +CE 31 59A 3 -92,-2.7 -92,-3.0 -2,-0.4 -64,-0.3 -0.890 22.5 179.2-111.4 116.5 -13.2 7.8 21.4 124 132 A D E - 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