==== 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 12-JUN-06 2HA5 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,G.SULZENBACHER,E.KIM,P.TAYLOR,P.MARCHOT . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 6.2 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 59 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 8 2 2 5 3 2 1 5 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 4 0 0 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 0 0 0 0 2 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 1 A E 0 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.7 30.1 14.5 55.4 2 2 A G + 0 0 65 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.159 360.0 50.7 136.9 -40.9 27.2 15.0 57.8 3 3 A R S S+ 0 0 251 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.409 93.0 93.7-103.5 -3.0 25.5 18.2 56.8 4 4 A E S S- 0 0 66 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.410 92.6 -80.5 -91.9 167.7 25.1 17.4 53.1 5 5 A D > - 0 0 47 1,-0.2 3,-1.9 -2,-0.1 4,-0.1 -0.535 37.7-155.2 -67.6 110.3 22.3 15.8 51.1 6 6 A P G > S+ 0 0 100 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.652 88.7 68.0 -67.1 -13.9 22.7 12.0 51.8 7 7 A Q G 3 S+ 0 0 85 1,-0.2 100,-0.3 3,-0.0 -2,-0.1 0.484 96.3 55.5 -84.5 0.5 21.0 11.2 48.6 8 8 A L G < S+ 0 0 15 -3,-1.9 11,-2.8 11,-0.1 2,-0.6 0.298 81.8 98.0-114.7 8.1 23.9 12.6 46.5 9 9 A L E < +A 18 0A 35 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.876 46.4 161.4-105.2 120.2 26.8 10.6 48.0 10 10 A V E -A 17 0A 11 7,-1.9 7,-3.4 -2,-0.6 2,-0.5 -0.971 28.6-140.0-138.7 146.2 27.9 7.6 45.9 11 11 A R E +A 16 0A 156 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.944 20.0 178.7-110.7 133.2 31.0 5.3 45.7 12 12 A V E > -A 15 0A 7 3,-3.1 3,-1.5 -2,-0.5 174,-0.1 -0.639 50.5 -83.1-116.7-179.4 32.5 4.1 42.5 13 13 A R T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.826 129.6 47.2 -57.4 -35.1 35.7 1.9 41.9 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.5 41,-0.1 2,-0.3 0.561 123.8 -89.2 -84.1 -10.1 38.0 4.9 42.0 15 15 A G E < -A 12 0A 5 -3,-1.5 -3,-3.1 40,-0.2 -1,-0.2 -0.914 65.3 -13.9 139.2-161.0 36.4 6.3 45.2 16 16 A Q E -Ab 11 59A 59 42,-0.8 44,-3.2 -2,-0.3 2,-0.3 -0.539 48.9-168.0 -86.5 143.1 33.7 8.6 46.6 17 17 A L E -Ab 10 60A 2 -7,-3.4 -7,-1.9 42,-0.2 2,-0.5 -0.912 13.6-152.0-124.6 151.5 31.6 11.1 44.6 18 18 A R E -Ab 9 61A 67 42,-2.2 44,-2.8 -2,-0.3 -9,-0.2 -0.983 21.6-169.2-123.2 117.9 29.3 13.9 45.5 19 19 A G - 0 0 4 -11,-2.8 2,-0.3 -2,-0.5 13,-0.2 -0.093 16.0-115.3 -90.2-168.7 26.6 14.8 43.0 20 20 A I E -C 31 0B 54 11,-2.7 11,-2.6 42,-0.3 2,-0.7 -0.983 13.9-125.7-135.5 142.4 24.1 17.6 42.6 21 21 A R E -C 30 0B 119 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.818 33.4-167.5 -86.6 113.8 20.4 17.9 42.7 22 22 A L E -C 29 0B 30 7,-2.3 7,-2.5 -2,-0.7 2,-0.6 -0.761 19.1-121.5-102.4 150.8 19.2 19.5 39.5 23 23 A K E -C 28 0B 170 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.840 27.2-178.7 -92.0 119.0 15.7 20.9 38.8 24 24 A A E > -C 27 0B 9 3,-2.3 3,-1.3 -2,-0.6 113,-0.0 -0.767 44.7-102.2-101.2 162.2 13.8 19.5 35.9 25 25 A P T 3 S+ 0 0 71 0, 0.0 112,-0.0 0, 0.0 429,-0.0 0.830 121.5 41.3 -55.8 -37.3 10.3 20.9 35.1 26 26 A G T 3 S- 0 0 58 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.545 130.3 -60.0 -86.8 -8.7 8.5 17.9 36.6 27 27 A G E < S-C 24 0B 19 -3,-1.3 -3,-2.3 2,-0.0 -1,-0.3 -0.936 74.1 -33.6 153.0-176.8 10.8 17.5 39.6 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.316 43.0-172.3 -74.4 151.7 14.4 16.9 40.9 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.3 75,-0.2 2,-0.4 -0.924 23.6-118.0-132.2 163.1 17.0 14.7 39.3 30 30 A S E -CD 21 103B 0 73,-2.9 73,-2.3 -2,-0.3 2,-0.4 -0.868 27.4-169.9 -99.8 137.5 20.5 13.6 40.4 31 31 A A E -CD 20 102B 0 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.5 -0.994 14.9-173.5-129.8 130.4 23.6 14.6 38.4 32 32 A F E - D 0 101B 0 69,-3.1 69,-2.7 -2,-0.4 2,-0.3 -0.936 25.1-178.9-119.4 102.3 27.1 13.3 38.8 33 33 A L E +n 63 0C 8 29,-2.6 31,-0.5 -2,-0.5 67,-0.2 -0.800 51.4 20.4-112.4 141.7 29.1 15.4 36.4 34 34 A G E + 0 0 5 -2,-0.3 -1,-0.2 65,-0.3 66,-0.2 0.837 68.4 168.3 75.1 35.0 32.9 15.4 35.6 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.2 -3,-0.3 2,-0.3 -0.706 34.3-128.9 -79.0 119.5 33.7 11.9 36.8 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.540 31.2 173.7 -71.5 129.0 37.2 10.9 35.5 37 37 A F + 0 0 6 60,-1.7 16,-1.1 -2,-0.3 2,-0.3 0.519 64.5 29.3-111.2 -8.7 37.3 7.6 33.7 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.1 14,-0.3 15,-0.1 -0.931 89.2 -92.5-140.6 162.4 40.9 7.6 32.5 39 39 A E - 0 0 19 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.563 66.8 -84.8 -66.1 142.4 44.3 9.0 33.5 40 40 A P - 0 0 31 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.298 36.9-134.3 -56.2 126.9 44.7 12.4 31.7 41 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.344 60.8 129.7 -82.4 60.9 46.0 11.7 28.2 42 42 A V > - 0 0 63 -2,-2.0 3,-2.1 4,-0.1 2,-0.1 -0.673 56.0 -4.4-116.6 162.8 48.6 14.4 28.4 43 43 A G G > S+ 0 0 45 1,-0.3 3,-2.3 -2,-0.2 0, 0.0 -0.350 136.8 7.4 60.4-129.0 52.4 14.7 27.8 44 44 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.601 128.9 64.9 -57.6 -14.6 53.9 11.3 27.0 45 45 A R G X S+ 0 0 62 -3,-2.1 3,-1.8 -5,-0.1 -1,-0.3 0.484 71.1 120.3 -91.1 -5.8 50.3 10.0 26.9 46 46 A R T < S+ 0 0 11 -3,-2.3 -4,-0.1 1,-0.3 222,-0.1 -0.409 84.5 10.6 -60.0 137.6 49.2 12.1 23.9 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.253 107.6 117.6 71.9 -4.2 48.1 9.9 21.0 48 48 A M S < S- 0 0 20 -3,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.546 75.7 -91.3 -94.1 153.7 48.2 6.8 23.3 49 49 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.203 55.0 -95.8 -51.2 151.8 45.3 4.5 24.3 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.466 32.1-145.2 -74.6 145.6 43.6 5.6 27.5 51 51 A E - 0 0 85 -12,-0.4 -12,-2.7 -2,-0.2 3,-0.1 -0.899 32.3 -96.3-104.3 140.5 44.6 4.1 30.9 52 52 A P B -O 38 0D 91 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.212 48.4 -97.1 -56.3 141.0 42.0 3.5 33.6 53 53 A K - 0 0 66 -16,-1.1 -14,-0.1 -15,-0.1 3,-0.1 -0.385 36.5-123.9 -58.8 130.9 41.8 6.3 36.1 54 54 A R - 0 0 145 1,-0.1 -1,-0.1 -2,-0.1 -40,-0.1 -0.533 39.0 -91.9 -73.3 143.1 43.7 5.6 39.3 55 55 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.177 41.7-144.5 -56.8 147.6 41.7 5.8 42.5 56 56 A W - 0 0 50 -42,-2.5 2,-0.3 2,-0.1 -40,-0.2 -0.647 11.0-117.7-107.7 166.8 41.5 9.1 44.3 57 57 A S S S+ 0 0 119 -2,-0.2 -42,-0.0 -42,-0.1 2,-0.0 -0.820 72.4 2.7-106.5 146.8 41.3 9.9 48.0 58 58 A G S S- 0 0 47 -2,-0.3 -42,-0.8 2,-0.1 2,-0.6 -0.258 107.7 -31.2 79.1-166.7 38.4 11.7 49.7 59 59 A V E -b 16 0A 55 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.814 55.8-142.8 -95.2 117.4 35.2 12.8 48.1 60 60 A L E -b 17 0A 37 -44,-3.2 -42,-2.2 -2,-0.6 2,-0.7 -0.645 19.9-125.1 -76.3 128.3 35.4 13.9 44.4 61 61 A D E +b 18 0A 75 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.679 32.1 175.0 -77.1 115.7 33.2 16.8 43.6 62 62 A A + 0 0 0 -44,-2.8 -29,-2.6 -2,-0.7 -42,-0.3 -0.336 46.2 105.8-115.5 47.4 30.9 15.8 40.7 63 63 A T B S+n 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.547 73.4 47.0-105.1 -11.3 28.7 18.9 40.6 64 64 A T S S- 0 0 83 -31,-0.5 2,-0.1 -3,-0.2 -1,-0.0 -0.927 85.6 -99.7-132.1 153.3 30.1 20.6 37.5 65 65 A F - 0 0 40 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.433 41.2-133.0 -63.1 143.9 31.0 19.7 33.9 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 -2,-0.1 -1,-0.1 -0.256 39.8 -54.3 -91.7-179.8 34.6 19.1 33.3 67 67 A N - 0 0 26 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.155 51.0-119.9 -55.3 149.2 36.9 20.4 30.5 68 68 A V E -p 92 0E 0 23,-2.3 25,-2.5 -3,-0.1 3,-0.1 -0.692 37.9 -98.3 -88.9 140.5 36.1 19.9 26.8 69 69 A a E -p 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.347 54.1 -86.5 -61.9 142.0 38.6 17.9 24.8 70 70 A Y S S+ 0 0 47 23,-0.8 83,-0.4 22,-0.1 2,-0.3 -0.253 70.7 148.7 -59.3 130.0 40.9 20.2 22.8 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 81,-0.1 2,-0.1 -0.993 51.2 -80.5-159.2 158.9 39.3 21.0 19.5 72 72 A Y - 0 0 67 52,-0.7 2,-0.5 -2,-0.3 205,-0.0 -0.392 42.6-144.0 -56.8 137.6 38.8 23.4 16.6 73 73 A V - 0 0 58 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.967 20.3-114.1-115.3 125.5 36.2 26.1 17.5 74 74 A D + 0 0 19 -2,-0.5 13,-0.1 9,-0.1 9,-0.0 -0.323 36.4 169.9 -63.4 130.8 33.8 27.3 14.7 75 75 A T + 0 0 96 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.301 45.8 106.2-120.4 3.5 34.3 30.9 13.6 76 76 A L S S+ 0 0 66 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.910 96.5 16.4 -55.1 -49.7 32.1 31.0 10.5 77 77 A Y S > S- 0 0 30 3,-0.1 3,-1.6 4,-0.0 -1,-0.3 -0.741 82.3-154.6-128.9 83.1 29.3 33.0 12.1 78 78 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.353 79.3 13.1 -60.4 129.2 30.5 34.7 15.4 79 79 A G T 3 S+ 0 0 74 1,-0.3 2,-0.5 -2,-0.1 3,-0.0 0.305 93.3 129.6 93.3 -6.7 27.6 35.4 17.9 80 80 A F X> - 0 0 30 -3,-1.6 4,-2.7 1,-0.1 3,-1.2 -0.701 54.5-146.7 -94.9 125.6 25.1 33.2 16.0 81 81 A E H 3> S+ 0 0 118 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.866 93.1 67.8 -58.2 -37.8 23.2 30.6 18.1 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.756 117.1 23.3 -57.8 -29.6 23.0 28.1 15.2 83 83 A T H X4 S+ 0 0 2 -3,-1.2 3,-2.0 -6,-0.3 4,-0.4 0.800 119.3 57.4 -99.4 -43.8 26.8 27.6 15.4 84 84 A E H >< S+ 0 0 79 -4,-2.7 3,-1.4 1,-0.3 -3,-0.2 0.790 92.3 70.7 -64.3 -27.2 27.7 28.6 18.9 85 85 A M T 3< S+ 0 0 41 -4,-2.5 47,-0.3 -5,-0.3 -1,-0.3 0.668 103.7 43.8 -61.9 -17.4 25.2 26.0 20.4 86 86 A W T < S+ 0 0 41 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.429 94.6 101.8-103.0 -4.8 27.7 23.3 19.2 87 87 A N S < S- 0 0 17 -3,-1.4 -14,-0.1 -4,-0.4 40,-0.1 -0.392 89.3 -77.5 -81.2 158.7 30.9 25.1 20.4 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.256 36.9-168.7 -57.6 139.3 32.7 24.1 23.6 89 89 A N + 0 0 47 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.207 69.4 45.3-115.7 11.5 31.0 25.4 26.7 90 90 A R S S- 0 0 117 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.888 105.6 -62.2-138.7 173.3 33.9 24.7 29.1 91 91 A E - 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