==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-12 4EY4 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.CHEUNG,M.RUDOLPH,F.BURSHTEYN,M.CASSIDY,E.GARY,J.LOVE,J.HEI . 1065 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 675 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 5.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 49 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 3 3 4 3 1 2 4 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 4 3 3 2 2 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 0 2 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 0 0 0 0 1 1 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 4 A E 0 0 198 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 130.3 2.1 -35.3 68.4 2 5 A D > - 0 0 44 1,-0.1 3,-1.2 3,-0.1 0, 0.0 -0.764 360.0-161.3 -89.3 117.1 4.3 -36.9 65.6 3 6 A A G > S+ 0 0 73 -2,-0.7 3,-1.4 1,-0.3 -1,-0.1 0.685 84.6 69.9 -74.1 -19.6 6.7 -34.3 64.2 4 7 A E G 3 S+ 0 0 58 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.746 98.2 52.7 -66.6 -22.0 7.3 -36.3 61.0 5 8 A L G < S+ 0 0 21 -3,-1.2 11,-2.9 11,-0.1 2,-0.5 0.169 91.5 88.7-102.6 13.4 3.8 -35.4 60.0 6 9 A L E < +A 15 0A 71 -3,-1.4 2,-0.3 9,-0.2 9,-0.2 -0.974 53.3 167.8-115.5 125.5 4.2 -31.7 60.5 7 10 A V E -A 14 0A 4 7,-1.9 7,-3.1 -2,-0.5 2,-0.5 -0.995 26.4-147.7-138.9 142.4 5.4 -29.6 57.5 8 11 A T E +A 13 0A 97 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.952 21.3 178.3-110.5 122.9 5.7 -26.0 56.7 9 12 A V E > -A 12 0A 9 3,-3.0 3,-1.9 -2,-0.5 174,-0.1 -0.678 49.3 -86.8-112.4 175.0 5.3 -25.0 53.1 10 13 A R T 3 S+ 0 0 177 1,-0.3 3,-0.1 -2,-0.2 173,-0.0 0.801 126.9 47.2 -53.8 -33.7 5.3 -21.5 51.6 11 14 A G T 3 S- 0 0 15 1,-0.3 42,-2.6 41,-0.1 2,-0.3 0.561 124.2 -77.4 -86.9 -7.6 1.6 -21.0 52.1 12 15 A G E < -A 9 0A 15 -3,-1.9 -3,-3.0 40,-0.2 -1,-0.3 -0.947 66.5 -28.2 141.0-167.1 1.5 -22.2 55.7 13 16 A R E -Ab 8 56A 131 42,-0.9 44,-2.9 -2,-0.3 2,-0.3 -0.629 44.8-161.8 -97.4 147.6 1.5 -25.3 57.9 14 17 A L E -Ab 7 57A 1 -7,-3.1 -7,-1.9 -2,-0.3 2,-0.5 -0.944 11.9-151.7-128.0 145.0 0.3 -28.9 57.2 15 18 A R E -Ab 6 58A 88 42,-2.8 44,-2.6 -2,-0.3 -9,-0.2 -0.965 25.0-177.8-113.8 118.8 -0.7 -32.0 59.2 16 19 A G - 0 0 5 -11,-2.9 2,-0.3 -2,-0.5 13,-0.2 -0.069 18.0-116.2 -99.8-159.3 -0.2 -35.3 57.4 17 20 A I E -C 28 0B 57 11,-2.7 11,-2.3 42,-0.2 2,-0.4 -1.000 13.6-123.6-149.1 140.5 -0.8 -38.9 58.2 18 21 A R E -C 27 0B 129 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.745 31.1-162.8 -85.7 128.6 1.2 -42.1 58.7 19 22 A L E -C 26 0B 24 7,-2.8 7,-1.9 -2,-0.4 2,-0.3 -0.855 10.6-128.2-113.1 150.4 0.2 -45.0 56.4 20 23 A K + 0 0 179 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.677 25.7 170.7 -94.5 148.8 0.9 -48.7 56.6 21 24 A T > - 0 0 20 -2,-0.3 3,-1.9 112,-0.0 431,-0.1 -0.950 48.5-106.6-140.8 163.9 2.4 -51.1 54.0 22 25 A P T 3 S+ 0 0 83 0, 0.0 430,-0.0 0, 0.0 112,-0.0 0.668 123.6 51.2 -60.3 -18.2 3.7 -54.7 54.1 23 26 A G T 3 S- 0 0 44 1,-0.4 -3,-0.0 0, 0.0 111,-0.0 0.382 126.3 -86.4 -96.8 2.3 7.2 -53.2 53.9 24 27 A G < - 0 0 25 -3,-1.9 -1,-0.4 2,-0.0 113,-0.1 -0.551 65.5 -30.5 112.2 175.0 6.7 -50.7 56.7 25 28 A P - 0 0 61 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.087 41.7-169.1 -73.9 164.5 5.3 -47.1 57.1 26 29 A V E -CD 19 101B 0 -7,-1.9 -7,-2.8 75,-0.2 2,-0.4 -0.958 22.1-123.3-145.4 150.8 5.2 -44.1 54.8 27 30 A S E -CD 18 100B 0 73,-2.9 73,-2.8 -2,-0.3 2,-0.4 -0.863 29.8-169.9-100.4 140.2 4.3 -40.5 55.4 28 31 A A E -CD 17 99B 0 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.5 -0.988 19.7-169.8-135.4 140.3 1.4 -39.0 53.4 29 32 A F E - D 0 98B 0 69,-2.7 69,-2.5 -2,-0.4 2,-0.4 -0.932 23.2-178.4-128.5 103.5 0.1 -35.4 52.9 30 33 A L E +n 60 0C 11 29,-2.4 31,-0.7 -2,-0.5 67,-0.2 -0.861 54.1 20.1-114.6 138.8 -3.2 -35.6 51.1 31 34 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.821 68.7 169.7 78.7 35.3 -5.5 -32.8 49.9 32 35 A I E - D 0 96B 0 64,-2.2 64,-2.3 -3,-0.3 2,-0.3 -0.673 35.2-123.8 -79.1 123.5 -3.0 -29.8 49.9 33 36 A P E + D 0 95B 9 0, 0.0 62,-0.2 0, 0.0 17,-0.1 -0.492 36.5 167.5 -68.7 126.0 -4.5 -26.7 48.2 34 37 A F + 0 0 5 60,-1.7 16,-1.2 -2,-0.3 2,-0.3 0.586 63.8 28.3-114.8 -13.4 -2.3 -25.5 45.4 35 38 A A B S-O 49 0D 3 59,-1.0 -1,-0.2 14,-0.3 15,-0.2 -0.925 88.4 -94.2-136.3 161.2 -4.7 -23.0 43.7 36 39 A E - 0 0 27 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.563 63.9 -86.7 -65.8 141.8 -7.6 -20.8 44.7 37 40 A P - 0 0 33 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.355 36.7-133.6 -55.1 125.2 -10.9 -22.7 44.0 38 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.421 58.0 138.8 -84.6 67.8 -11.7 -22.0 40.4 39 42 A M > - 0 0 74 -2,-2.2 3,-2.5 4,-0.1 -3,-0.0 -0.673 52.2 -10.9-116.3 160.0 -15.4 -21.2 41.2 40 43 A G G > S+ 0 0 38 1,-0.3 3,-1.4 -2,-0.2 0, 0.0 -0.335 137.7 10.3 57.5-117.1 -18.0 -18.7 40.1 41 44 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 225,-0.0 0.696 128.2 63.5 -66.2 -17.1 -16.3 -16.0 38.0 42 45 A R G X S+ 0 0 76 -3,-2.5 3,-1.9 -5,-0.1 -2,-0.2 0.502 70.8 118.8 -86.9 -7.8 -13.2 -18.1 37.9 43 46 A R T < S+ 0 0 13 -3,-1.4 -4,-0.1 1,-0.3 223,-0.1 -0.424 86.7 11.5 -57.0 133.4 -14.8 -21.0 36.0 44 47 A F T 3 S+ 0 0 3 109,-0.5 122,-0.4 1,-0.3 -1,-0.3 0.291 107.0 116.9 77.4 -7.6 -12.9 -21.4 32.7 45 48 A L S < S- 0 0 50 -3,-1.9 -1,-0.3 119,-0.1 3,-0.1 -0.583 76.0 -92.1 -91.4 153.9 -10.1 -19.1 33.9 46 49 A P - 0 0 59 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.245 54.8 -95.1 -55.0 151.4 -6.4 -19.9 34.5 47 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.432 32.5-144.5 -74.9 146.9 -5.6 -21.0 38.0 48 51 A E - 0 0 97 -12,-0.4 -12,-2.6 -2,-0.1 3,-0.1 -0.876 30.9 -96.4-107.3 142.4 -4.4 -18.6 40.6 49 52 A P B -O 35 0D 89 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.185 47.5 -98.5 -53.0 144.9 -1.8 -19.6 43.3 50 53 A K - 0 0 68 -16,-1.2 3,-0.1 -15,-0.2 -14,-0.1 -0.561 40.3-122.8 -67.4 127.4 -3.4 -20.5 46.7 51 54 A Q - 0 0 118 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.436 37.5 -88.0 -70.6 143.9 -3.2 -17.6 49.1 52 55 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.146 45.2-155.5 -52.1 143.6 -1.4 -18.1 52.4 53 56 A W - 0 0 49 -42,-2.6 2,-0.3 2,-0.1 -40,-0.2 -0.833 8.3-133.4-119.5 158.8 -3.4 -19.5 55.3 54 57 A S S S+ 0 0 115 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.701 71.2 25.4-104.2 165.6 -3.0 -19.3 59.1 55 58 A G S S- 0 0 37 -2,-0.3 -42,-0.9 2,-0.0 2,-0.5 -0.326 104.5 -48.3 75.2-164.0 -3.4 -22.3 61.4 56 59 A V E -b 13 0A 58 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.930 45.2-136.6-118.2 120.7 -2.8 -25.9 60.2 57 60 A V E -b 14 0A 32 -44,-2.9 -42,-2.8 -2,-0.5 2,-0.9 -0.580 22.4-126.9 -71.8 127.0 -4.3 -27.4 57.1 58 61 A D E +b 15 0A 72 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.663 34.2 171.9 -71.0 106.0 -5.6 -30.9 57.6 59 62 A A + 0 0 0 -44,-2.6 -29,-2.4 -2,-0.9 -42,-0.2 -0.319 43.6 105.6-113.3 52.7 -3.8 -33.0 55.0 60 63 A T B S+n 30 0C 43 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.456 75.3 42.1-109.1 -5.8 -5.0 -36.5 56.2 61 64 A T S S- 0 0 72 -31,-0.7 -1,-0.1 -3,-0.3 2,-0.0 -0.986 86.2 -96.1-144.1 150.8 -7.6 -37.3 53.5 62 65 A F - 0 0 34 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.338 42.8-133.6 -61.9 145.1 -8.1 -37.0 49.7 63 66 A Q - 0 0 70 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.320 39.1 -53.9 -92.0-178.1 -10.0 -34.0 48.6 64 67 A S - 0 0 12 28,-0.3 2,-0.3 -2,-0.1 -1,-0.2 -0.053 51.7-115.8 -58.6 151.6 -12.9 -33.6 46.1 65 68 A V E -p 89 0E 0 23,-2.6 25,-2.5 -3,-0.1 3,-0.1 -0.715 36.5-102.4 -88.5 139.4 -12.8 -34.9 42.5 66 69 A a E -p 90 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.376 52.8 -85.9 -59.0 135.9 -13.1 -32.4 39.7 67 70 A Y S S+ 0 0 58 23,-0.7 83,-0.3 55,-0.1 2,-0.3 -0.191 71.5 145.5 -47.0 123.4 -16.6 -32.3 38.2 68 71 A Q - 0 0 4 -3,-0.1 54,-0.1 81,-0.1 2,-0.1 -0.980 51.5 -76.8-157.0 166.4 -16.8 -34.9 35.5 69 72 A Y - 0 0 69 52,-0.7 2,-0.5 -2,-0.3 206,-0.0 -0.384 41.4-140.2 -66.5 142.1 -19.0 -37.5 33.7 70 73 A V - 0 0 62 14,-0.1 2,-0.2 -2,-0.1 14,-0.1 -0.951 18.8-120.1-113.7 122.0 -19.7 -40.7 35.6 71 74 A D + 0 0 15 -2,-0.5 13,-0.1 9,-0.2 3,-0.0 -0.380 35.6 167.1 -65.7 128.9 -19.6 -44.0 33.6 72 75 A T + 0 0 93 -2,-0.2 -1,-0.1 3,-0.1 9,-0.0 0.167 42.6 109.2-126.6 17.2 -22.9 -46.0 33.7 73 76 A L S S+ 0 0 68 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.881 98.7 15.2 -60.1 -39.6 -22.3 -48.6 30.9 74 77 A Y S > S- 0 0 34 3,-0.1 3,-2.2 -3,-0.0 -1,-0.3 -0.598 86.8-149.4-137.4 74.9 -22.0 -51.4 33.4 75 78 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.127 80.4 7.0 -51.4 133.1 -23.3 -50.3 36.9 76 79 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 2,-0.1 -4,-0.0 0.287 93.2 136.6 80.9 -10.2 -21.5 -52.0 39.8 77 80 A F X> - 0 0 29 -3,-2.2 4,-2.6 1,-0.1 3,-0.9 -0.553 53.1-141.9 -77.1 129.7 -18.9 -53.7 37.6 78 81 A E H 3> S+ 0 0 103 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.890 95.5 63.5 -55.6 -45.4 -15.3 -53.5 38.9 79 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.763 117.8 26.9 -57.5 -29.0 -13.7 -52.9 35.5 80 83 A T H X4 S+ 0 0 2 -3,-0.9 3,-1.4 -6,-0.2 4,-0.5 0.763 116.4 58.9 -99.6 -34.0 -15.5 -49.6 35.1 81 84 A E H >< S+ 0 0 78 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.830 91.9 68.5 -69.1 -31.5 -16.1 -48.5 38.7 82 85 A M T 3< S+ 0 0 33 -4,-2.3 47,-0.3 1,-0.3 -1,-0.3 0.674 104.7 45.5 -58.2 -17.3 -12.3 -48.6 39.5 83 86 A W T < S+ 0 0 41 -3,-1.4 -1,-0.3 -5,-0.2 40,-0.3 0.534 95.8 96.6-100.9 -13.4 -12.0 -45.5 37.1 84 87 A N S < S- 0 0 13 -3,-1.2 -14,-0.1 -4,-0.5 40,-0.1 -0.368 91.3 -77.6 -78.2 157.2 -15.1 -43.6 38.5 85 88 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.259 37.0-170.7 -54.3 135.5 -14.9 -40.8 41.2 86 89 A N S S+ 0 0 47 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.134 70.4 45.2-118.3 14.6 -14.4 -42.2 44.7 87 90 A R S S- 0 0 103 1,-0.0 -24,-0.1 40,-0.0 -23,-0.1 -0.895 104.5 -69.9-139.1 175.1 -14.9 -38.9 46.5 88 91 A E - 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