==== 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 02-JUN-06 2DQZ . COMPND 2 MOLECULE: LIVER CARBOXYLESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BENCHARIT,M.R.REDINBO . 1596 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1010 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 102 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 442 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.6 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 8 4 4 2 0 3 8 12 1 3 0 0 6 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 2 4 5 6 6 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 4 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 0 0 0 0 0 0 0 3 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 1021 A S 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.9 -29.7 40.3 72.1 2 1022 A S - 0 0 77 3,-0.0 3,-0.1 0, 0.0 14,-0.0 -0.923 360.0 -77.6-167.2 140.6 -26.5 38.2 72.5 3 1023 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.030 58.0 -99.3 -43.2 138.8 -23.4 37.4 70.5 4 1024 A P - 0 0 7 0, 0.0 11,-3.0 0, 0.0 2,-0.5 -0.465 41.0-170.2 -66.1 122.0 -23.9 34.8 67.7 5 1025 A V E -A 14 0A 79 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 4.5-177.1-119.4 125.3 -22.8 31.4 68.8 6 1026 A V E -A 13 0A 9 7,-3.0 7,-3.2 -2,-0.5 2,-0.4 -0.949 19.4-136.4-124.8 141.0 -22.5 28.6 66.2 7 1027 A D E +A 12 0A 92 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.787 26.9 177.4 -95.9 134.3 -21.6 24.9 66.6 8 1028 A T E > -A 11 0A 5 3,-1.2 3,-0.9 -2,-0.4 176,-0.1 -0.815 47.5 -95.2-127.7 171.2 -19.3 23.3 64.0 9 1029 A V T 3 S+ 0 0 100 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.878 127.2 41.0 -51.6 -39.5 -17.7 19.9 63.5 10 1030 A H T 3 S- 0 0 40 1,-0.3 44,-1.7 43,-0.1 -1,-0.3 0.564 127.1 -71.7 -86.9 -13.6 -14.6 21.2 65.3 11 1031 A G E < -A 8 0A 11 -3,-0.9 -3,-1.2 42,-0.2 -1,-0.3 -0.830 65.5 -38.0 144.9 177.3 -16.2 23.2 68.1 12 1032 A K E -Ab 7 57A 90 44,-0.9 46,-2.9 -2,-0.2 2,-0.4 -0.459 46.7-159.3 -76.6 142.5 -18.2 26.3 69.0 13 1033 A V E -Ab 6 58A 0 -7,-3.2 -7,-3.0 44,-0.2 2,-0.5 -0.969 3.3-154.3-124.8 138.0 -17.6 29.6 67.3 14 1034 A L E +Ab 5 59A 25 44,-2.7 46,-2.7 -2,-0.4 -9,-0.2 -0.949 21.8 164.6-115.2 124.7 -18.5 33.1 68.6 15 1035 A G - 0 0 1 -11,-3.0 2,-0.3 -2,-0.5 15,-0.2 -0.269 27.2-112.1-116.9-155.3 -19.1 36.0 66.2 16 1036 A K E -C 29 0B 82 13,-2.2 13,-3.0 44,-0.2 2,-0.3 -0.990 19.6-115.6-147.3 152.9 -20.7 39.5 66.3 17 1037 A F E +C 28 0B 82 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.627 26.0 179.6 -89.7 147.1 -23.6 41.3 64.9 18 1038 A V E -C 27 0B 44 9,-2.0 9,-2.2 -2,-0.3 2,-0.3 -0.902 14.9-148.8-150.0 115.8 -23.4 44.2 62.4 19 1039 A S - 0 0 84 -2,-0.3 2,-0.5 7,-0.3 5,-0.1 -0.643 4.2-151.5 -89.4 143.1 -26.4 45.9 61.0 20 1040 A L > - 0 0 18 3,-0.4 3,-2.1 -2,-0.3 440,-0.1 -0.957 33.2-100.8-114.8 127.6 -26.5 47.5 57.6 21 1041 A E T 3 S+ 0 0 182 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 -0.173 109.7 31.2 -46.7 124.7 -28.8 50.5 56.9 22 1042 A G T 3 S+ 0 0 60 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.262 103.0 86.9 108.9 -10.0 -31.9 49.3 55.1 23 1043 A F < - 0 0 67 -3,-2.1 -3,-0.4 1,-0.1 4,-0.1 -0.969 55.0-162.5-130.3 118.4 -32.0 45.8 56.6 24 1044 A A S S+ 0 0 105 -2,-0.4 -1,-0.1 -5,-0.1 -3,-0.0 0.916 77.5 74.4 -60.2 -49.1 -33.8 45.0 59.9 25 1045 A Q S S- 0 0 73 114,-0.1 -5,-0.2 1,-0.1 -1,-0.1 -0.570 85.4-133.7 -72.4 110.2 -32.0 41.6 60.4 26 1046 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.350 21.3-112.7 -65.8 147.2 -28.4 42.3 61.5 27 1047 A V E -C 18 0B 1 -9,-2.2 -9,-2.0 -4,-0.1 2,-0.6 -0.652 21.1-133.7 -84.5 133.7 -25.7 40.4 59.7 28 1048 A A E -CD 17 103B 1 75,-2.5 75,-2.7 -2,-0.3 2,-0.4 -0.804 24.5-165.1 -91.0 118.5 -23.7 37.8 61.7 29 1049 A I E -CD 16 102B 10 -13,-3.0 -13,-2.2 -2,-0.6 2,-0.5 -0.882 10.2-170.8-109.0 135.2 -20.0 38.2 61.1 30 1050 A F E - D 0 101B 0 71,-2.5 71,-2.5 -2,-0.4 2,-0.4 -0.981 8.5-168.0-127.4 117.1 -17.3 35.6 62.0 31 1051 A L E +m 61 0C 3 29,-2.8 31,-0.7 -2,-0.5 69,-0.2 -0.887 61.3 10.8-110.0 137.7 -13.6 36.5 61.6 32 1052 A G E + 0 0 12 -2,-0.4 -1,-0.2 1,-0.2 68,-0.2 0.887 66.2 168.2 72.9 42.6 -10.7 34.2 61.8 33 1053 A I E - D 0 99B 1 66,-2.3 66,-2.1 -3,-0.3 2,-0.3 -0.795 33.1-130.5 -89.5 124.6 -12.1 30.8 61.7 34 1054 A P E + D 0 98B 9 0, 0.0 64,-0.2 0, 0.0 17,-0.1 -0.587 27.2 177.7 -75.4 129.0 -9.3 28.2 61.1 35 1055 A F + 0 0 8 62,-1.4 16,-0.3 -2,-0.3 2,-0.3 0.402 69.2 24.6-110.4 0.3 -10.1 25.7 58.3 36 1056 A A S S- 0 0 5 61,-0.8 16,-0.1 14,-0.2 15,-0.1 -0.955 90.4 -88.2-154.0 167.4 -6.7 23.9 58.5 37 1057 A K - 0 0 70 12,-3.2 12,-0.5 -2,-0.3 14,-0.1 -0.663 63.3 -88.3 -80.6 133.8 -3.9 23.2 60.9 38 1058 A P - 0 0 18 0, 0.0 2,-2.9 0, 0.0 57,-0.1 -0.186 36.7-129.3 -46.2 120.6 -1.2 25.9 60.9 39 1059 A P + 0 0 8 0, 0.0 6,-0.1 0, 0.0 2,-0.1 -0.290 60.0 140.2 -73.0 59.9 1.2 24.9 58.1 40 1060 A L > - 0 0 20 -2,-2.9 3,-2.7 3,-0.1 4,-0.2 -0.462 52.1 -9.3-100.1 171.9 4.2 25.3 60.4 41 1061 A G G > S+ 0 0 12 1,-0.3 3,-2.3 2,-0.2 756,-0.0 -0.056 135.9 2.0 44.1-131.1 7.4 23.4 60.9 42 1062 A P G 3 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 226,-0.0 0.627 125.4 72.4 -60.7 -10.6 7.5 20.1 59.1 43 1063 A L G X S+ 0 0 23 -3,-2.7 3,-0.8 -5,-0.1 -2,-0.2 0.588 72.3 110.2 -80.4 -9.7 4.1 21.0 57.7 44 1064 A R T < S+ 0 0 9 -3,-2.3 -4,-0.1 1,-0.2 112,-0.1 -0.438 82.9 15.5 -69.5 139.0 5.6 23.6 55.4 45 1065 A F T 3 S+ 0 0 2 110,-0.5 -1,-0.2 1,-0.3 121,-0.1 0.886 109.4 106.3 65.5 39.8 5.5 22.7 51.7 46 1066 A T S < S- 0 0 27 -3,-0.8 -1,-0.3 119,-0.1 3,-0.1 -0.979 80.0 -77.3-145.2 157.4 2.9 20.0 52.4 47 1067 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 122,-0.1 -0.097 60.6 -91.8 -51.0 149.3 -0.8 19.5 51.8 48 1068 A P - 0 0 29 0, 0.0 122,-0.0 0, 0.0 -12,-0.0 -0.454 42.1-146.6 -67.9 135.3 -3.1 21.3 54.2 49 1069 A Q - 0 0 92 -12,-0.5 -12,-3.2 -2,-0.2 -3,-0.0 -0.778 27.7 -88.1-103.4 149.2 -4.1 19.2 57.3 50 1070 A P - 0 0 100 0, 0.0 -14,-0.2 0, 0.0 2,-0.1 -0.115 48.8-103.7 -52.3 146.5 -7.4 19.3 59.1 51 1071 A A - 0 0 8 -16,-0.3 -14,-0.2 -15,-0.1 -16,-0.0 -0.437 34.5-108.8 -73.1 146.1 -7.8 21.8 61.9 52 1072 A E - 0 0 94 -16,-0.1 644,-0.1 -2,-0.1 2,-0.1 -0.614 36.0-117.5 -76.0 130.5 -7.6 20.5 65.5 53 1073 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -42,-0.2 -0.435 28.0-137.6 -70.3 142.6 -11.0 20.7 67.3 54 1074 A W - 0 0 17 -44,-1.7 -42,-0.2 2,-0.1 4,-0.1 -0.682 5.1-131.7-101.4 157.1 -11.2 23.0 70.3 55 1075 A S S S+ 0 0 46 -2,-0.2 -43,-0.1 782,-0.2 -1,-0.1 0.906 78.0 12.1 -78.7 -46.1 -12.9 22.3 73.7 56 1076 A F S S- 0 0 102 1,-0.1 -44,-0.9 781,-0.1 2,-0.6 0.137 107.8 -36.9-109.5-135.2 -15.1 25.3 74.5 57 1077 A V E -b 12 0A 65 -46,-0.1 2,-0.4 -44,-0.0 -44,-0.2 -0.857 53.3-150.2 -96.5 119.4 -16.3 28.4 72.7 58 1078 A K E -b 13 0A 38 -46,-2.9 -44,-2.7 -2,-0.6 2,-0.7 -0.723 12.7-133.7 -87.3 130.7 -13.8 29.9 70.2 59 1079 A N E +b 14 0A 110 -2,-0.4 2,-0.5 -46,-0.2 3,-0.2 -0.770 23.0 179.9 -90.7 114.3 -14.0 33.6 69.7 60 1080 A A + 0 0 2 -46,-2.7 -29,-2.8 -2,-0.7 -44,-0.2 -0.546 48.8 111.4-107.5 62.5 -13.9 34.5 66.0 61 1081 A T B +m 31 0C 58 -2,-0.5 2,-0.4 -31,-0.2 -1,-0.2 0.203 59.2 75.8-119.5 13.3 -14.2 38.2 66.6 62 1082 A S S S- 0 0 88 -31,-0.7 -32,-0.0 -3,-0.2 0, 0.0 -0.975 85.9-104.0-130.7 140.9 -10.7 39.3 65.5 63 1083 A Y - 0 0 61 -2,-0.4 -2,-0.1 1,-0.1 -32,-0.1 -0.398 38.7-127.7 -64.0 130.1 -9.2 39.7 62.1 64 1084 A P - 0 0 8 0, 0.0 27,-0.2 0, 0.0 66,-0.1 -0.254 28.2 -97.6 -72.5 163.7 -6.8 36.8 61.2 65 1085 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.346 35.4-120.4 -76.1 164.8 -3.2 37.4 60.0 66 1086 A M B -n 92 0D 13 25,-2.9 27,-1.4 1,-0.1 3,-0.1 -0.806 39.0 -88.5-105.3 150.8 -2.5 37.4 56.3 67 1087 A a - 0 0 6 -2,-0.3 27,-0.2 60,-0.2 60,-0.1 -0.251 61.3 -77.9 -58.0 144.0 0.1 34.9 54.9 68 1088 A T S S+ 0 0 3 25,-0.4 2,-0.3 84,-0.1 84,-0.2 -0.085 76.3 131.3 -45.4 129.8 3.7 36.1 54.9 69 1089 A Q - 0 0 2 -3,-0.1 57,-0.1 84,-0.1 3,-0.1 -0.914 67.7 -46.7-163.6-176.3 4.3 38.5 52.0 70 1090 A D > - 0 0 42 55,-0.3 4,-3.5 -2,-0.3 5,-0.3 -0.560 51.2-154.6 -67.8 102.6 5.8 41.8 51.1 71 1091 A P H > S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.864 91.0 45.7 -49.8 -42.1 4.3 43.9 53.9 72 1092 A K H > S+ 0 0 177 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.979 116.9 42.2 -66.8 -56.2 4.5 47.1 51.9 73 1093 A A H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.879 114.7 53.6 -57.8 -39.6 3.2 45.6 48.7 74 1094 A G H X S+ 0 0 4 -4,-3.5 4,-1.7 1,-0.2 -1,-0.2 0.943 109.9 44.3 -61.4 -51.6 0.5 43.8 50.6 75 1095 A Q H X S+ 0 0 90 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.786 111.2 55.8 -65.3 -29.2 -0.9 46.8 52.5 76 1096 A L H X S+ 0 0 68 -4,-1.9 4,-1.7 2,-0.2 3,-0.3 0.959 108.0 46.1 -68.1 -50.7 -0.8 48.9 49.3 77 1097 A L H X S+ 0 0 17 -4,-2.1 4,-1.4 1,-0.2 5,-0.2 0.838 109.7 56.3 -61.1 -34.9 -3.0 46.5 47.3 78 1098 A S H X S+ 0 0 11 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.870 107.5 47.2 -67.8 -36.2 -5.4 46.2 50.2 79 1099 A E H < S+ 0 0 102 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.828 114.0 48.9 -73.7 -27.5 -6.0 49.9 50.3 80 1100 A L H < S+ 0 0 34 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.703 123.6 29.9 -82.4 -19.5 -6.5 50.0 46.5 81 1101 A F H < S+ 0 0 7 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.674 88.1 113.8-111.7 -24.6 -8.9 47.1 46.5 82 1102 A T < - 0 0 3 -4,-2.4 50,-0.2 -5,-0.2 5,-0.1 -0.179 46.4-162.5 -54.6 139.8 -10.7 47.3 49.8 83 1103 A N + 0 0 1 48,-0.8 378,-0.2 3,-0.1 377,-0.2 0.433 61.6 96.4-101.8 -5.0 -14.3 48.1 49.6 84 1104 A R S S- 0 0 22 47,-0.5 377,-0.1 1,-0.1 3,-0.1 -0.517 84.4-115.8 -85.8 156.5 -14.7 49.2 53.2 85 1105 A K S S+ 0 0 128 375,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.910 102.4 34.0 -57.3 -48.0 -14.5 52.8 54.3 86 1106 A E S S- 0 0 119 375,-0.0 -1,-0.2 -3,-0.0 2,-0.2 -0.950 87.4-125.5-115.5 124.0 -11.3 52.4 56.3 87 1107 A N - 0 0 33 -2,-0.5 -8,-0.1 -5,-0.1 44,-0.1 -0.440 22.9-133.0 -67.0 134.0 -8.6 49.9 55.3 88 1108 A I - 0 0 33 -2,-0.2 2,-0.2 42,-0.1 -1,-0.1 -0.805 15.6-135.1 -92.6 119.4 -7.7 47.5 58.1 89 1109 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -14,-0.0 -0.538 27.3-155.1 -73.3 134.6 -4.0 47.0 58.6 90 1110 A L - 0 0 32 -2,-0.2 2,-0.3 -19,-0.1 -15,-0.1 -0.709 10.6-124.7-115.9 164.2 -3.0 43.4 59.0 91 1111 A K - 0 0 144 -2,-0.2 -25,-2.9 -27,-0.2 2,-0.3 -0.687 25.3-122.9-101.6 157.1 -0.2 41.3 60.6 92 1112 A L B +n 66 0D 38 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.731 40.8 143.6-100.1 149.0 2.0 38.7 58.8 93 1113 A S - 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