==== 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 24-JUN-08 3DJY . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,F.NACHON . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 3 0.6 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 2 1 1 1 3 0 0 3 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 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 . 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 3 A D 0 0 148 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 120.2 18.7 -37.1 -50.0 2 4 A I + 0 0 38 11,-0.4 11,-2.0 2,-0.0 2,-0.5 -0.906 360.0 172.2-119.8 112.9 18.0 -33.6 -48.6 3 5 A I E -A 12 0A 51 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.950 9.7-167.6-118.2 130.4 18.2 -30.4 -50.7 4 6 A I E -A 11 0A 17 7,-2.4 7,-2.3 -2,-0.5 2,-0.6 -0.947 18.3-133.3-117.1 137.9 17.1 -27.1 -49.4 5 7 A A E -A 10 0A 68 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.831 28.5-177.8 -92.1 119.0 16.7 -24.1 -51.6 6 8 A T E > -A 9 0A 15 3,-2.5 3,-1.4 -2,-0.6 173,-0.1 -0.690 43.4-101.1-109.8 167.6 18.2 -20.9 -50.1 7 9 A K T 3 S+ 0 0 145 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.696 124.1 42.4 -63.0 -16.3 18.2 -17.4 -51.4 8 10 A N T 3 S- 0 0 28 1,-0.4 42,-2.3 41,-0.1 2,-0.3 0.476 129.4 -65.2-107.2 -3.3 21.9 -17.9 -52.6 9 11 A G E < -A 6 0A 13 -3,-1.4 -3,-2.5 40,-0.2 -1,-0.4 -0.868 65.2 -52.0 145.7-177.0 21.4 -21.4 -54.0 10 12 A K E -Ab 5 53A 109 42,-0.8 44,-2.7 -2,-0.3 2,-0.4 -0.589 42.9-163.1 -91.1 150.6 20.7 -24.9 -53.1 11 13 A V E -Ab 4 54A 0 -7,-2.3 -7,-2.4 -2,-0.2 2,-0.5 -0.996 9.2-147.2-135.1 143.6 22.5 -26.9 -50.5 12 14 A R E -Ab 3 55A 68 42,-2.8 44,-2.4 -2,-0.4 -9,-0.2 -0.916 19.4-173.8-107.3 132.2 22.7 -30.6 -49.8 13 15 A G - 0 0 4 -11,-2.0 -11,-0.4 -2,-0.5 2,-0.3 -0.290 17.1-118.0-107.7-165.5 23.0 -31.9 -46.2 14 16 A M E -C 25 0B 54 11,-2.2 11,-2.5 42,-0.2 2,-0.3 -0.971 17.5-118.3-141.2 153.5 23.5 -35.3 -44.6 15 17 A Q E -C 24 0B 95 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.728 26.1-170.8 -99.0 142.4 21.6 -37.6 -42.3 16 18 A L E -C 23 0B 42 7,-2.6 7,-2.3 -2,-0.3 2,-0.5 -0.977 20.2-132.3-129.1 143.1 22.9 -38.7 -38.9 17 19 A T E +C 22 0B 115 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.825 29.8 174.4 -93.4 129.5 21.5 -41.2 -36.5 18 20 A V E > -C 21 0B 5 3,-1.9 3,-0.9 -2,-0.5 -2,-0.0 -0.981 67.7 -22.1-136.6 122.8 21.3 -39.9 -33.0 19 21 A F T 3 S- 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.902 126.3 -49.9 43.4 57.2 19.7 -41.9 -30.2 20 22 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.779 126.1 81.4 58.5 32.0 17.7 -44.1 -32.6 21 23 A G E < S-C 18 0B 17 -3,-0.9 -3,-1.9 2,-0.0 2,-0.4 -0.806 78.6 -98.4-148.3-175.8 16.3 -41.1 -34.6 22 24 A T E -C 17 0B 56 77,-0.5 77,-1.6 -2,-0.3 2,-0.4 -0.966 24.9-179.1-124.6 131.8 17.5 -38.9 -37.3 23 25 A V E -CD 16 98B 0 -7,-2.3 -7,-2.6 -2,-0.4 2,-0.5 -0.955 21.6-139.4-114.8 140.6 19.0 -35.4 -37.4 24 26 A T E -CD 15 97B 6 73,-2.3 73,-2.7 -2,-0.4 2,-0.4 -0.892 19.1-161.7 -97.7 128.0 19.9 -33.6 -40.7 25 27 A A E -CD 14 96B 0 -11,-2.5 -11,-2.2 -2,-0.5 2,-0.5 -0.893 16.1-170.0-113.3 131.9 23.2 -31.6 -40.7 26 28 A F E - D 0 95B 0 69,-3.0 69,-2.0 -2,-0.4 2,-0.5 -0.891 20.2-171.0-117.5 95.5 24.3 -28.9 -43.1 27 29 A L E +m 57 0C 12 29,-1.7 31,-0.8 -2,-0.5 67,-0.2 -0.765 58.6 7.8 -93.1 129.0 28.0 -28.4 -42.2 28 30 A G E + 0 0 4 -2,-0.5 66,-0.2 65,-0.3 -1,-0.2 0.910 66.4 171.4 73.8 48.4 29.9 -25.5 -43.8 29 31 A I E - D 0 93B 0 64,-3.0 64,-2.3 -3,-0.4 -1,-0.2 -0.723 35.4-122.0 -81.8 132.8 27.4 -23.2 -45.7 30 32 A P E + D 0 92B 9 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.532 31.6 176.7 -76.7 149.7 29.1 -20.0 -46.8 31 33 A Y + 0 0 5 60,-1.8 16,-0.4 1,-0.2 2,-0.3 0.402 62.2 25.2-129.5 -2.2 27.5 -16.8 -45.6 32 34 A A S S- 0 0 3 59,-0.8 14,-0.2 14,-0.2 -1,-0.2 -0.976 89.2 -83.5-150.1 165.8 29.9 -14.1 -47.0 33 35 A Q - 0 0 57 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.568 64.1 -94.4 -66.1 137.1 32.4 -13.4 -49.7 34 36 A P - 0 0 51 0, 0.0 2,-1.7 0, 0.0 55,-0.1 -0.313 36.8-128.2 -52.6 131.2 35.7 -14.9 -48.6 35 37 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.402 59.3 136.5 -87.6 65.2 37.6 -11.9 -47.0 36 38 A L > - 0 0 72 -2,-1.7 3,-1.6 3,-0.1 2,-0.6 -0.736 54.2 -6.7-113.1 153.7 40.8 -12.2 -49.0 37 39 A G G > S+ 0 0 48 -2,-0.3 3,-0.6 1,-0.3 0, 0.0 -0.539 137.4 7.0 75.9-115.2 43.1 -9.8 -50.7 38 40 A R G 3 S+ 0 0 175 -2,-0.6 -1,-0.3 1,-0.2 225,-0.0 0.562 128.2 64.2 -80.6 -9.2 41.7 -6.3 -50.7 39 41 A L G X S+ 0 0 14 -3,-1.6 3,-2.3 -5,-0.1 -1,-0.2 0.580 73.4 118.8 -86.1 -14.5 38.8 -7.6 -48.4 40 42 A R T < S+ 0 0 14 -3,-0.6 -4,-0.1 1,-0.3 3,-0.1 -0.339 84.3 9.1 -55.7 132.0 41.3 -8.3 -45.7 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.358 107.4 114.7 74.9 -0.5 40.5 -6.2 -42.6 42 44 A K S < S- 0 0 46 -3,-2.3 -1,-0.3 118,-0.1 117,-0.1 -0.610 79.1 -86.2 -99.1 161.3 37.2 -5.0 -44.0 43 45 A K - 0 0 77 115,-0.3 -1,-0.1 -2,-0.2 121,-0.1 -0.261 62.7 -89.8 -54.3 148.4 33.6 -5.6 -43.0 44 46 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.371 40.1-133.6 -69.0 143.7 32.2 -8.9 -44.5 45 47 A Q - 0 0 76 -12,-0.4 -12,-2.6 -3,-0.1 3,-0.1 -0.807 26.1-103.6-105.3 142.5 30.6 -8.5 -47.9 46 48 A S - 0 0 82 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.085 47.7 -82.9 -68.7 166.9 27.3 -10.2 -48.6 47 49 A L - 0 0 29 -16,-0.4 -1,-0.1 1,-0.1 -15,-0.0 -0.583 24.8-153.2 -91.7 129.2 27.1 -13.4 -50.7 48 50 A T - 0 0 111 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.1 0.850 43.2-117.9 -57.8 -52.7 27.1 -13.4 -54.5 49 51 A K - 0 0 139 2,-0.0 2,-0.2 -40,-0.0 -40,-0.2 0.172 20.6-137.6 113.0 133.2 25.2 -16.7 -55.1 50 52 A W - 0 0 43 -42,-2.3 2,-0.3 2,-0.1 -40,-0.1 -0.640 5.3-142.9-113.0 166.8 25.8 -20.1 -56.8 51 53 A S + 0 0 95 -2,-0.2 -2,-0.0 -42,-0.1 2,-0.0 -0.811 69.2 42.1-122.9 173.0 23.9 -22.4 -59.0 52 54 A D S S- 0 0 136 -2,-0.3 -42,-0.8 2,-0.1 2,-0.6 -0.190 107.8 -51.8 67.9-178.5 24.1 -26.2 -58.8 53 55 A I E -b 10 0A 58 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.819 44.1-143.4-101.4 116.1 24.1 -27.8 -55.3 54 56 A W E -b 11 0A 85 -44,-2.7 -42,-2.8 -2,-0.6 2,-0.8 -0.653 20.7-137.4 -71.7 123.3 26.5 -26.7 -52.6 55 57 A N E -b 12 0A 89 -2,-0.5 2,-1.1 -44,-0.2 3,-0.3 -0.762 20.4-174.8 -89.4 107.7 27.4 -29.8 -50.6 56 58 A A + 0 0 0 -44,-2.4 -29,-1.7 -2,-0.8 -42,-0.2 -0.629 43.2 122.3-100.5 73.2 27.3 -29.0 -46.9 57 59 A T B +m 27 0C 62 -2,-1.1 2,-0.3 -31,-0.2 -1,-0.2 0.424 64.4 36.3-125.4 -1.4 28.6 -32.3 -45.8 58 60 A K S S- 0 0 161 -31,-0.8 -1,-0.1 -3,-0.3 2,-0.0 -0.986 89.0 -91.4-145.2 157.4 31.8 -31.4 -43.9 59 61 A Y - 0 0 55 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.381 46.3-124.2 -63.2 146.9 32.9 -28.7 -41.5 60 62 A A - 0 0 18 1,-0.2 62,-0.1 30,-0.1 -1,-0.1 -0.142 38.2 -66.9 -82.1-179.6 34.7 -25.7 -43.2 61 63 A N - 0 0 48 28,-0.3 31,-0.2 23,-0.1 25,-0.2 -0.409 49.1-125.4 -60.7 145.3 38.1 -24.2 -42.6 62 64 A S B -n 86 0D 0 23,-1.6 25,-1.7 22,-0.1 27,-0.1 -0.573 34.6 -96.6 -82.6 155.1 38.6 -22.4 -39.2 63 65 A a - 0 0 3 56,-0.3 25,-0.2 23,-0.2 56,-0.2 -0.319 52.7 -80.9 -69.5 157.9 39.9 -18.8 -39.3 64 66 A C + 0 0 13 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.307 67.7 145.9 -61.0 140.7 43.6 -18.1 -38.9 65 67 A Q - 0 0 4 -3,-0.1 53,-0.1 80,-0.1 2,-0.1 -0.954 50.4 -99.4-172.8 149.2 44.8 -18.2 -35.3 66 68 A N - 0 0 60 51,-0.4 2,-0.3 -2,-0.3 206,-0.0 -0.358 43.1-134.9 -67.8 157.4 47.6 -19.0 -33.0 67 69 A I - 0 0 68 -2,-0.1 2,-0.7 14,-0.1 14,-0.1 -0.844 16.9-105.5-123.2 150.2 47.3 -22.4 -31.3 68 70 A D + 0 0 46 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.699 41.5 166.1 -80.8 109.9 47.8 -23.4 -27.7 69 71 A Q + 0 0 160 -2,-0.7 -1,-0.1 1,-0.1 9,-0.0 0.094 43.3 106.0-111.4 17.2 51.2 -25.4 -27.6 70 72 A S S S+ 0 0 66 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.843 90.8 24.4 -67.8 -35.5 51.7 -25.4 -23.8 71 73 A F S > S- 0 0 36 -3,-0.2 3,-2.5 3,-0.1 7,-0.3 -0.494 78.1-165.8-130.3 68.1 50.8 -29.0 -23.3 72 74 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.233 80.5 19.3 -54.8 138.1 51.3 -31.0 -26.5 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.1 0, 0.0 0.366 95.4 122.8 86.4 -8.1 49.6 -34.4 -26.3 74 76 A F X> - 0 0 31 -3,-2.5 4,-2.6 1,-0.1 3,-0.7 -0.815 51.6-156.1 -95.4 117.0 47.3 -33.3 -23.4 75 77 A H H 3> S+ 0 0 127 -2,-0.6 4,-2.5 1,-0.2 5,-0.1 0.849 87.7 68.8 -58.0 -35.4 43.6 -33.6 -24.1 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.858 117.2 20.3 -55.0 -41.3 42.7 -30.8 -21.5 77 79 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.6 -6,-0.2 4,-0.4 0.804 121.2 58.8 -94.2 -39.3 44.2 -28.1 -23.7 78 80 A E H >< S+ 0 0 79 -4,-2.6 3,-1.4 1,-0.3 -3,-0.2 0.782 89.6 71.9 -67.7 -29.0 44.2 -29.7 -27.1 79 81 A M T 3< S+ 0 0 33 -4,-2.5 -1,-0.3 -5,-0.2 46,-0.2 0.674 98.4 51.4 -54.6 -20.8 40.5 -30.2 -27.1 80 82 A W T < S+ 0 0 67 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.526 88.4 102.0 -93.1 -10.9 40.2 -26.4 -27.6 81 83 A N S < S- 0 0 28 -3,-1.4 -14,-0.1 -4,-0.4 39,-0.1 -0.404 87.3 -86.4 -73.5 154.3 42.6 -26.3 -30.5 82 84 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.197 32.4-164.5 -56.5 145.0 41.1 -26.0 -34.1 83 85 A N + 0 0 88 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.075 67.2 58.6-125.5 20.9 40.2 -29.2 -35.8 84 86 A T S S- 0 0 34 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.946 101.2 -75.1-131.6 161.5 39.9 -28.1 -39.5 85 87 A D - 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