==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAY-09 2WIK . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,N.AURBEK,E.GILLON,M.LOIODICE,Y.NICOLET, . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.9 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 . 39 7.4 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 . 135 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 . 3 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 . 1 0 1 2 1 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 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 0 143 0, 0.0 2,-0.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 120.8 -36.9 -18.6 -49.9 2 4 A I + 0 0 52 11,-0.3 11,-2.4 2,-0.0 2,-0.3 -0.854 360.0 164.5-122.1 105.1 -33.6 -17.9 -48.4 3 5 A I E -A 12 0A 56 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.874 9.3-175.8-119.1 146.4 -30.3 -18.1 -50.3 4 6 A I E -A 11 0A 21 7,-1.6 7,-1.9 -2,-0.3 2,-0.4 -0.984 23.3-127.6-141.9 136.3 -27.0 -16.7 -49.2 5 7 A A E -A 10 0A 62 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.808 24.9-167.6 -96.2 134.2 -23.9 -16.7 -51.3 6 8 A T E > -A 9 0A 11 3,-3.7 3,-2.2 -2,-0.4 173,-0.1 -0.686 41.0-100.4-113.6 160.2 -20.6 -18.1 -49.9 7 9 A K T 3 S+ 0 0 133 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.812 127.2 41.6 -37.9 -31.0 -16.9 -18.0 -51.1 8 10 A N T 3 S- 0 0 24 1,-0.4 42,-1.9 41,-0.1 2,-0.3 0.444 128.7 -66.2-108.2 -4.5 -17.7 -21.6 -52.3 9 11 A G E < -A 6 0A 4 -3,-2.2 -3,-3.7 40,-0.2 -1,-0.4 -0.842 64.1 -51.6 143.9-175.1 -21.0 -21.2 -53.8 10 12 A K E -Ab 5 53A 107 42,-0.9 44,-2.4 40,-0.4 2,-0.4 -0.549 42.5-165.9 -94.0 153.1 -24.7 -20.5 -52.9 11 13 A V E -Ab 4 54A 0 -7,-1.9 -7,-1.6 42,-0.2 2,-0.4 -0.992 10.3-147.8-143.0 140.0 -26.7 -22.3 -50.3 12 14 A R E -Ab 3 55A 72 42,-2.8 44,-2.7 -2,-0.4 -9,-0.2 -0.847 18.1-169.7-104.3 141.3 -30.4 -22.4 -49.5 13 15 A G - 0 0 3 -11,-2.4 2,-0.3 -2,-0.4 -11,-0.3 -0.198 17.0-117.3-111.0-157.4 -31.7 -22.8 -46.0 14 16 A M E -C 25 0B 69 11,-1.6 11,-1.8 42,-0.2 2,-0.3 -0.941 19.8-119.0-147.9 154.9 -35.0 -23.4 -44.5 15 17 A Q E -C 24 0B 90 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.748 26.3-168.1-101.1 152.1 -37.4 -21.4 -42.1 16 18 A L E -C 23 0B 33 7,-1.6 7,-2.0 -2,-0.3 2,-0.8 -0.991 19.1-134.9-144.2 138.8 -38.5 -22.6 -38.7 17 19 A T E +C 22 0B 115 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.790 31.6 170.3 -95.6 126.3 -41.0 -21.4 -36.3 18 20 A V E > -C 21 0B 5 3,-2.1 3,-0.8 -2,-0.8 -2,-0.1 -0.994 66.1 -20.2-134.2 132.5 -39.7 -21.2 -33.0 19 21 A F T 3 S- 0 0 68 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.865 126.4 -50.5 38.4 54.7 -41.5 -19.6 -30.1 20 22 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.838 128.1 80.3 57.9 36.4 -43.8 -17.6 -32.4 21 23 A G E < S-C 18 0B 15 -3,-0.8 -3,-2.1 -5,-0.1 2,-0.4 -0.844 77.9-102.9-152.5-176.2 -40.9 -16.3 -34.4 22 24 A T E -CD 17 99B 48 77,-0.6 77,-1.4 -2,-0.3 2,-0.4 -0.980 22.8-178.9-129.1 136.5 -38.6 -17.5 -37.1 23 25 A V E -CD 16 98B 0 -7,-2.0 -7,-1.6 -2,-0.4 2,-0.5 -0.969 23.2-136.7-120.2 144.9 -35.1 -18.8 -37.3 24 26 A T E -CD 15 97B 7 73,-2.2 73,-2.7 -2,-0.4 2,-0.5 -0.897 20.4-162.2-101.0 121.9 -33.3 -19.8 -40.6 25 27 A A E -CD 14 96B 0 -11,-1.8 -11,-1.6 -2,-0.5 2,-0.5 -0.880 12.7-168.5-107.3 126.9 -31.3 -23.2 -40.4 26 28 A F E - D 0 95B 1 69,-3.1 69,-2.2 -2,-0.5 3,-0.4 -0.851 19.8-171.9-111.9 97.4 -28.7 -24.1 -42.9 27 29 A L E +m 57 0C 15 29,-1.5 31,-0.6 -2,-0.5 67,-0.2 -0.614 57.0 9.2 -89.3 142.2 -28.0 -27.7 -42.1 28 30 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.918 67.2 167.6 56.8 53.6 -25.2 -29.8 -43.7 29 31 A I E - D 0 93B 0 64,-2.9 64,-2.4 -3,-0.4 -1,-0.2 -0.811 38.1-122.7 -87.9 133.5 -23.1 -27.2 -45.6 30 32 A P E - D 0 92B 9 0, 0.0 62,-0.3 0, 0.0 3,-0.1 -0.430 30.7-179.7 -78.6 164.2 -19.9 -28.9 -46.5 31 33 A Y + 0 0 4 60,-1.8 16,-0.4 1,-0.3 2,-0.3 0.471 62.5 24.6-144.3 -12.3 -16.7 -27.3 -45.3 32 34 A A S S- 0 0 3 59,-0.9 -1,-0.3 14,-0.1 14,-0.2 -0.965 90.6 -84.5-141.9 167.7 -13.9 -29.5 -46.7 33 35 A Q - 0 0 45 12,-2.1 12,-0.5 -2,-0.3 14,-0.1 -0.515 65.4 -92.1 -59.0 137.4 -13.3 -32.0 -49.6 34 36 A P - 0 0 51 0, 0.0 2,-2.0 0, 0.0 5,-0.2 -0.200 36.5-126.0 -61.0 138.6 -14.6 -35.4 -48.4 35 37 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.305 58.6 137.2 -92.7 72.2 -11.7 -37.3 -46.8 36 38 A L > - 0 0 73 -2,-2.0 3,-2.5 3,-0.2 2,-0.6 -0.657 58.0 -16.4-109.7 154.0 -11.9 -40.6 -48.8 37 39 A G T 3 S+ 0 0 45 1,-0.3 3,-0.4 -2,-0.3 0, 0.0 -0.288 139.4 16.2 67.5-114.2 -9.5 -42.9 -50.4 38 40 A R T 3 S+ 0 0 169 -2,-0.6 -1,-0.3 1,-0.2 225,-0.0 0.839 131.0 55.8 -66.1 -29.9 -6.2 -41.0 -50.7 39 41 A L S X S+ 0 0 13 -3,-2.5 3,-2.5 -5,-0.2 -2,-0.2 0.658 74.2 115.3 -73.3 -22.0 -7.6 -38.5 -48.1 40 42 A R T 3 S+ 0 0 13 -3,-0.4 -4,-0.1 1,-0.3 3,-0.1 -0.337 88.3 11.4 -55.7 132.7 -8.4 -41.0 -45.4 41 43 A F T 3 S+ 0 0 0 108,-0.6 121,-0.4 1,-0.3 -1,-0.3 0.277 107.9 108.5 81.7 -3.9 -6.1 -40.2 -42.4 42 44 A K S < S- 0 0 33 -3,-2.5 -1,-0.3 118,-0.2 117,-0.1 -0.678 80.8 -84.7-105.2 156.4 -4.9 -36.8 -43.7 43 45 A K - 0 0 76 115,-0.3 -1,-0.1 -2,-0.3 121,-0.1 -0.169 60.9 -93.0 -46.2 146.1 -5.5 -33.2 -42.8 44 46 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.376 45.3-138.2 -68.7 152.2 -8.8 -31.9 -44.4 45 47 A Q - 0 0 65 -12,-0.5 -12,-2.1 1,-0.1 3,-0.1 -0.796 28.5 -68.1-121.4 157.7 -8.4 -30.1 -47.8 46 48 A S - 0 0 83 -2,-0.3 2,-0.6 -14,-0.2 -1,-0.1 0.013 47.4-115.7 -36.3 126.1 -9.8 -27.1 -49.5 47 49 A L - 0 0 32 -16,-0.4 -1,-0.1 1,-0.1 -15,-0.0 -0.702 25.6-148.8 -75.0 120.8 -13.4 -27.1 -50.4 48 50 A T - 0 0 110 -2,-0.6 -1,-0.1 -3,-0.1 -2,-0.1 0.758 34.9-117.9 -61.6 -46.1 -13.2 -26.9 -54.1 49 51 A K - 0 0 114 -3,-0.0 2,-0.4 2,-0.0 -40,-0.2 0.425 19.1-131.7 111.9 130.3 -16.5 -25.0 -54.8 50 52 A W - 0 0 39 -42,-1.9 -40,-0.4 2,-0.1 2,-0.1 -0.884 2.0-153.4-115.0 134.1 -19.9 -25.4 -56.6 51 53 A S S S+ 0 0 104 -2,-0.4 2,-0.0 -42,-0.1 -2,-0.0 -0.314 75.0 57.1 -73.8-175.0 -22.1 -23.4 -59.0 52 54 A D S S- 0 0 83 -2,-0.1 -42,-0.9 2,-0.0 2,-0.5 -0.250 104.8 -74.1 61.9-176.3 -25.8 -24.4 -58.7 53 55 A I E -b 10 0A 61 -44,-0.1 2,-0.4 -48,-0.0 -42,-0.2 -0.973 37.7-138.6-119.2 119.9 -27.3 -23.9 -55.2 54 56 A W E -b 11 0A 79 -44,-2.4 -42,-2.8 -2,-0.5 2,-0.7 -0.696 17.8-136.6 -72.4 129.9 -26.5 -26.4 -52.3 55 57 A N E -b 12 0A 85 -2,-0.4 2,-0.9 -44,-0.2 3,-0.3 -0.794 20.0-175.6 -88.5 119.6 -29.6 -27.2 -50.3 56 58 A A + 0 0 0 -44,-2.7 -29,-1.5 -2,-0.7 -42,-0.2 -0.646 46.0 118.7-114.4 71.8 -28.8 -27.2 -46.6 57 59 A T B +m 27 0C 59 -2,-0.9 2,-0.3 -31,-0.2 -1,-0.2 0.345 67.4 44.6-126.7 -7.4 -32.2 -28.3 -45.5 58 60 A K S S- 0 0 159 -31,-0.6 -1,-0.1 -3,-0.3 2,-0.1 -0.989 87.2-101.1-135.1 153.0 -31.2 -31.6 -43.8 59 61 A Y - 0 0 52 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.398 45.1-131.3 -57.6 146.5 -28.4 -32.7 -41.3 60 62 A A - 0 0 14 1,-0.2 2,-0.1 30,-0.1 -1,-0.1 -0.179 36.9 -58.7 -97.3-169.9 -25.6 -34.5 -43.1 61 63 A N - 0 0 44 28,-0.3 25,-0.2 1,-0.1 -1,-0.2 -0.455 48.8-128.0 -66.0 146.2 -23.9 -37.8 -42.4 62 64 A S B -n 86 0D 0 23,-1.3 25,-2.1 22,-0.3 27,-0.1 -0.500 37.0 -95.0 -79.4 152.2 -22.1 -38.3 -39.0 63 65 A a - 0 0 3 56,-0.3 25,-0.2 27,-0.2 56,-0.2 -0.290 53.5 -79.4 -65.0 164.7 -18.6 -39.5 -39.1 64 66 A C + 0 0 11 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.222 69.6 146.2 -60.8 133.1 -17.8 -43.2 -38.9 65 67 A Q - 0 0 5 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.957 50.1 -98.0-164.0 160.4 -17.9 -44.4 -35.4 66 68 A N - 0 0 67 51,-0.4 2,-0.3 -2,-0.3 206,-0.0 -0.465 42.1-137.1 -70.5 149.5 -18.8 -47.2 -32.9 67 69 A I - 0 0 62 -2,-0.2 2,-0.7 14,-0.1 -1,-0.1 -0.742 16.1-108.7-108.0 154.5 -22.1 -47.0 -31.2 68 70 A D + 0 0 42 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.695 39.8 166.2 -83.3 112.3 -23.1 -47.6 -27.6 69 71 A Q + 0 0 154 -2,-0.7 -1,-0.1 1,-0.2 9,-0.0 0.122 43.6 107.4-112.6 22.0 -25.2 -50.9 -27.4 70 72 A S S S+ 0 0 64 1,-0.2 -1,-0.2 7,-0.0 -2,-0.0 0.859 92.4 22.1 -67.1 -37.1 -25.1 -51.3 -23.7 71 73 A F S > S- 0 0 36 -3,-0.2 3,-2.7 3,-0.1 -1,-0.2 -0.288 79.3-165.2-127.9 58.1 -28.7 -50.4 -23.2 72 74 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.062 80.8 17.2 -54.7 134.9 -30.7 -50.9 -26.5 73 75 A G T 3 S+ 0 0 66 1,-0.2 2,-0.7 2,-0.1 0, 0.0 0.326 94.9 123.0 89.5 -12.1 -34.1 -49.1 -26.2 74 76 A F X> - 0 0 32 -3,-2.7 4,-2.4 1,-0.1 3,-0.6 -0.820 51.5-157.0 -83.8 114.3 -32.9 -47.0 -23.3 75 77 A H H 3> S+ 0 0 122 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.879 87.1 71.5 -53.5 -49.4 -33.3 -43.3 -24.0 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.888 117.3 18.8 -30.3 -55.8 -30.6 -42.4 -21.3 77 79 A S H X4 S+ 0 0 1 -3,-0.6 3,-1.7 -6,-0.2 4,-0.4 0.820 120.7 59.2 -94.1 -35.7 -27.9 -43.8 -23.6 78 80 A E H >< S+ 0 0 80 -4,-2.4 3,-1.4 1,-0.3 -3,-0.2 0.801 87.2 73.7 -73.8 -23.7 -29.4 -43.9 -26.9 79 81 A M T 3< S+ 0 0 32 -4,-2.9 -1,-0.3 1,-0.2 46,-0.3 0.655 98.0 52.5 -57.2 -10.5 -30.0 -40.2 -27.0 80 82 A W T < S+ 0 0 59 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.563 87.5 100.2 -98.8 -10.6 -26.1 -39.9 -27.5 81 83 A N S < S- 0 0 32 -3,-1.4 -14,-0.1 -4,-0.4 39,-0.1 -0.402 88.1 -89.5 -81.2 151.6 -26.0 -42.3 -30.5 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.143 30.8-161.0 -68.0 152.1 -25.8 -40.7 -33.9 83 85 A N + 0 0 83 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 -0.056 69.2 55.3-132.6 27.2 -29.0 -40.0 -35.6 84 86 A T S S- 0 0 35 0, 0.0 -22,-0.3 0, 0.0 -24,-0.1 -0.903 102.4 -71.5-146.7 157.8 -28.0 -39.6 -39.3 85 87 A D - 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