==== 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 2HA7 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,G.SULZENBACHER,E.KIM,P.TAYLOR,P.MARCHOT . 1070 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 6.0 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 . 3 0.3 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 . 54 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 7 2 3 5 2 2 1 5 0 2 1 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 4 2 4 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 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 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 1 A E 0 0 221 0, 0.0 3,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -7.9 30.0 18.2 59.2 2 2 A G + 0 0 76 1,-0.2 0, 0.0 4,-0.0 0, 0.0 -0.408 360.0 111.9 -99.4 50.9 27.6 15.5 58.2 3 3 A R + 0 0 230 -2,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.275 46.7 104.2-106.4 4.8 25.1 18.2 57.2 4 4 A E S S- 0 0 75 -3,-0.3 5,-0.1 1,-0.1 0, 0.0 -0.433 88.6 -73.9 -88.9 167.4 25.1 17.6 53.4 5 5 A D > - 0 0 47 1,-0.2 3,-2.7 -2,-0.1 4,-0.3 -0.414 36.8-149.3 -68.3 110.2 22.4 15.9 51.3 6 6 A P G > S+ 0 0 105 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.709 94.2 61.1 -50.7 -24.3 22.6 12.2 52.0 7 7 A Q G 3 S+ 0 0 54 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.493 97.1 58.2 -85.5 -3.8 21.4 11.4 48.5 8 8 A L G < S+ 0 0 17 -3,-2.7 11,-2.6 11,-0.1 2,-0.7 0.389 82.6 92.8-106.6 5.0 24.3 13.1 46.8 9 9 A L E < +A 18 0A 71 -3,-0.7 2,-0.3 -4,-0.3 9,-0.2 -0.878 49.7 158.7-105.7 110.9 27.1 11.1 48.3 10 10 A V E -A 17 0A 10 7,-1.7 7,-3.2 -2,-0.7 2,-0.4 -0.968 29.9-138.9-132.3 145.8 28.1 8.0 46.2 11 11 A R E -A 16 0A 156 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.890 20.1-179.5-105.7 134.2 31.3 5.9 46.0 12 12 A V E > -A 15 0A 9 3,-3.4 3,-1.5 -2,-0.4 174,-0.1 -0.700 49.8 -85.0-118.1 176.4 32.9 4.6 42.8 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.795 130.4 46.6 -49.2 -32.0 36.0 2.4 42.1 14 14 A G T 3 S- 0 0 10 1,-0.3 42,-2.2 41,-0.1 2,-0.3 0.600 122.8 -87.2 -90.4 -15.7 38.1 5.5 42.3 15 15 A G E < -A 12 0A 6 -3,-1.5 -3,-3.4 40,-0.2 2,-0.3 -0.947 64.5 -18.8 145.6-161.1 36.6 7.0 45.5 16 16 A Q E -Ab 11 59A 82 42,-0.8 44,-2.9 -2,-0.3 2,-0.3 -0.612 50.0-164.3 -88.2 139.8 33.9 9.2 46.9 17 17 A L E -Ab 10 60A 1 -7,-3.2 -7,-1.7 -2,-0.3 2,-0.5 -0.920 12.9-151.8-121.3 147.4 31.9 11.7 44.9 18 18 A R E -Ab 9 61A 70 42,-2.3 44,-2.7 -2,-0.3 -9,-0.2 -0.974 23.3-171.3-115.5 116.0 29.6 14.6 45.9 19 19 A G - 0 0 4 -11,-2.6 2,-0.4 -2,-0.5 13,-0.2 -0.252 17.3-113.3 -93.7-174.7 26.9 15.4 43.3 20 20 A I E -C 31 0B 57 11,-2.8 11,-2.2 42,-0.4 2,-0.7 -0.948 14.0-127.9-125.5 142.6 24.3 18.2 42.9 21 21 A R E -C 30 0B 144 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.796 34.1-162.3 -86.0 113.5 20.6 18.3 43.2 22 22 A L E -C 29 0B 29 7,-2.8 7,-2.3 -2,-0.7 2,-0.3 -0.708 15.5-121.4-100.2 151.3 19.3 19.9 40.0 23 23 A K E +C 28 0B 178 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.708 30.5 177.0 -87.4 136.5 15.8 21.5 39.3 24 24 A A E > -C 27 0B 6 3,-0.6 3,-2.9 -2,-0.3 431,-0.0 -0.988 44.3-104.8-136.7 146.5 13.7 20.1 36.5 25 25 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 430,-0.0 0.786 121.2 38.6 -39.8 -42.2 10.2 21.2 35.6 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 -3,-0.0 111,-0.0 0.474 131.2 -60.0 -90.9 -2.7 8.6 18.0 37.1 27 27 A G E < S-C 24 0B 21 -3,-2.9 -3,-0.6 2,-0.0 -1,-0.3 -0.866 74.2 -38.4 144.2-179.4 10.9 17.8 40.1 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.362 44.0-164.7 -80.1 153.7 14.5 17.4 41.2 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.8 75,-0.2 2,-0.4 -0.901 20.6-118.8-126.3 162.6 17.2 15.2 39.6 30 30 A S E -CD 21 103B 0 73,-3.3 73,-2.6 -2,-0.3 2,-0.4 -0.860 29.9-173.0-101.3 132.3 20.6 13.9 40.8 31 31 A A E -CD 20 102B 0 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.5 -0.990 17.4-173.7-130.4 133.4 23.7 15.0 38.8 32 32 A F E - D 0 101B 0 69,-2.9 69,-1.9 -2,-0.4 3,-0.4 -0.878 23.2-176.1-122.9 94.9 27.3 13.9 39.1 33 33 A L E + 0 0 10 29,-2.6 31,-0.5 -2,-0.5 67,-0.2 -0.675 55.1 17.2 -99.6 145.2 29.3 16.0 36.7 34 34 A G E + 0 0 2 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.816 68.1 169.2 69.8 32.9 33.0 15.8 35.9 35 35 A I E - D 0 99B 0 64,-2.4 64,-2.9 -3,-0.4 2,-0.3 -0.658 34.3-128.3 -73.7 121.7 33.8 12.3 37.2 36 36 A P E + D 0 98B 6 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.586 32.1 173.7 -75.6 132.9 37.3 11.5 36.0 37 37 A F + 0 0 4 60,-1.5 16,-0.8 -2,-0.3 2,-0.3 0.398 62.0 30.7-116.0 1.6 37.5 8.1 34.2 38 38 A A B S-M 52 0C 4 59,-0.8 -1,-0.1 14,-0.3 15,-0.1 -0.987 88.1 -90.6-151.5 155.0 41.1 8.2 32.9 39 39 A E - 0 0 19 12,-2.6 12,-0.3 -2,-0.3 14,-0.1 -0.473 66.0 -90.0 -59.3 140.7 44.5 9.5 33.8 40 40 A P - 0 0 29 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.407 35.8-132.0 -59.3 126.4 44.8 12.9 32.1 41 41 A P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.293 60.5 131.8 -81.2 59.8 46.2 12.2 28.6 42 42 A V > - 0 0 66 -2,-2.2 3,-1.9 3,-0.1 2,-0.2 -0.624 54.6 -4.8-110.0 162.7 48.9 15.0 28.8 43 43 A G G > S+ 0 0 48 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.375 136.1 9.0 66.0-121.8 52.6 15.3 28.1 44 44 A S G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -2,-0.2 225,-0.1 0.529 127.8 65.3 -68.9 -4.5 54.1 11.9 27.2 45 45 A R G X + 0 0 65 -3,-1.9 3,-1.4 -5,-0.1 -1,-0.2 0.450 68.5 120.5-100.9 -1.9 50.6 10.5 27.0 46 46 A R T < S+ 0 0 14 -3,-1.5 -4,-0.1 1,-0.2 223,-0.1 -0.393 86.7 10.0 -58.9 138.5 49.4 12.6 24.1 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.2 -1,-0.2 0.223 107.2 118.0 71.6 -13.6 48.3 10.3 21.2 48 48 A M S < S- 0 0 46 -3,-1.4 -1,-0.2 119,-0.1 3,-0.1 -0.551 75.7 -94.5 -87.0 148.0 48.6 7.3 23.6 49 49 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.195 53.2 -93.6 -50.3 149.4 45.6 5.0 24.6 50 50 A P - 0 0 25 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.412 32.5-148.6 -72.7 144.9 43.9 6.0 27.8 51 51 A E - 0 0 92 -12,-0.3 -12,-2.6 -2,-0.1 3,-0.1 -0.888 34.5 -92.8-107.9 142.5 44.9 4.5 31.2 52 52 A P B -M 38 0C 93 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.193 50.0 -94.1 -54.9 144.3 42.3 4.0 34.0 53 53 A K - 0 0 66 -16,-0.8 -14,-0.1 -15,-0.1 3,-0.1 -0.364 38.3-123.7 -60.8 133.5 42.0 6.9 36.5 54 54 A R - 0 0 164 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.652 38.9 -93.9 -79.9 137.3 44.1 6.3 39.6 55 55 A P - 0 0 86 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.124 40.2-145.9 -55.3 143.9 42.0 6.4 42.8 56 56 A W - 0 0 50 -42,-2.2 2,-0.3 2,-0.1 -40,-0.2 -0.664 11.4-117.5-104.9 163.7 41.8 9.7 44.7 57 57 A S S S- 0 0 121 -2,-0.2 -42,-0.0 -42,-0.1 -43,-0.0 -0.788 71.2 -1.0-102.4 147.7 41.5 10.5 48.4 58 58 A G S S- 0 0 46 -2,-0.3 -42,-0.8 2,-0.1 2,-0.6 -0.178 107.6 -30.1 72.5-166.3 38.6 12.2 50.1 59 59 A V E -b 16 0A 60 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.772 55.8-146.7 -96.9 115.3 35.4 13.4 48.4 60 60 A L E -b 17 0A 42 -44,-2.9 -42,-2.3 -2,-0.6 2,-0.5 -0.663 21.1-122.4 -78.4 126.6 35.7 14.6 44.9 61 61 A D E +b 18 0A 82 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.583 33.4 174.5 -70.2 120.7 33.4 17.5 44.0 62 62 A A + 0 0 0 -44,-2.7 -29,-2.6 -2,-0.5 -42,-0.4 -0.296 45.1 107.3-121.4 47.8 31.2 16.4 41.1 63 63 A T S S+ 0 0 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.471 72.9 46.5-106.1 -6.1 28.9 19.4 40.9 64 64 A T S S- 0 0 58 -31,-0.5 959,-0.1 -3,-0.2 2,-0.1 -0.955 86.6 -99.4-135.4 155.3 30.2 21.2 37.8 65 65 A F - 0 0 37 -2,-0.3 2,-0.1 957,-0.3 3,-0.1 -0.371 41.2-131.5 -67.1 150.1 31.2 20.1 34.2 66 66 A Q - 0 0 66 1,-0.2 -1,-0.1 30,-0.1 -32,-0.1 -0.341 40.2 -53.5 -93.7-179.0 34.9 19.6 33.5 67 67 A N - 0 0 25 28,-0.2 2,-0.3 -2,-0.1 -1,-0.2 -0.081 51.3-122.8 -50.1 148.6 37.1 20.9 30.8 68 68 A V E -n 92 0D 0 23,-2.3 25,-2.5 22,-0.1 59,-0.1 -0.746 38.4 -94.3 -92.5 143.8 36.2 20.3 27.1 69 69 A a E -n 93 0D 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.357 53.2 -89.1 -63.3 134.9 38.8 18.4 25.0 70 70 A Y S S+ 0 0 29 23,-0.9 83,-0.4 -2,-0.1 2,-0.3 -0.153 70.6 143.7 -49.3 133.7 41.2 20.8 23.1 71 71 A Q - 0 0 5 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.993 53.2 -72.4-166.6 162.5 39.7 21.6 19.7 72 72 A Y - 0 0 75 52,-0.8 2,-0.4 -2,-0.3 52,-0.0 -0.489 44.6-145.4 -62.6 132.0 39.0 24.0 16.8 73 73 A V - 0 0 59 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.916 20.9-112.1-106.9 131.8 36.4 26.7 17.8 74 74 A D + 0 0 23 -2,-0.4 13,-0.0 9,-0.2 9,-0.0 -0.377 37.8 167.2 -69.8 134.0 34.0 27.9 15.1 75 75 A T + 0 0 99 -2,-0.1 -1,-0.1 3,-0.1 8,-0.0 0.290 45.3 104.2-128.9 8.0 34.3 31.5 13.8 76 76 A L S S+ 0 0 73 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.972 101.3 11.4 -54.5 -61.1 32.1 31.6 10.7 77 77 A Y S > S- 0 0 33 3,-0.1 3,-1.4 266,-0.0 6,-0.3 -0.768 85.3-156.8-122.0 85.9 29.3 33.6 12.3 78 78 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.384 76.6 14.3 -66.7 134.2 30.5 34.9 15.7 79 79 A G T 3 S+ 0 0 66 1,-0.3 2,-0.5 -2,-0.1 -4,-0.0 0.356 93.7 131.4 86.2 -3.6 27.8 35.6 18.4 80 80 A F X> - 0 0 26 -3,-1.4 4,-2.6 1,-0.1 3,-2.0 -0.728 57.0-143.0 -92.9 121.7 25.2 33.7 16.3 81 81 A E H 3> S+ 0 0 139 -2,-0.5 4,-1.7 1,-0.3 -1,-0.1 0.804 96.0 67.9 -51.7 -35.6 23.1 31.2 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.768 117.2 22.1 -58.8 -29.4 23.1 28.8 15.3 83 83 A T H X> S+ 0 0 3 -3,-2.0 3,-1.8 -6,-0.3 4,-0.6 0.745 115.4 64.2-106.2 -35.7 26.8 28.1 15.7 84 84 A E H >< S+ 0 0 33 -4,-2.6 3,-0.8 1,-0.3 943,-0.3 0.794 89.7 68.4 -63.6 -30.0 27.5 29.1 19.4 85 85 A M T 3< S+ 0 0 52 -4,-1.7 47,-0.3 1,-0.2 -1,-0.3 0.665 104.6 44.3 -64.0 -14.2 25.3 26.3 20.7 86 86 A W T <4 S+ 0 0 45 -3,-1.8 -1,-0.2 -5,-0.1 40,-0.2 0.544 93.9 101.4-104.1 -11.5 27.9 23.8 19.4 87 87 A N S << S- 0 0 14 -3,-0.8 940,-0.2 -4,-0.6 -14,-0.1 -0.350 88.8 -81.7 -73.2 152.1 30.9 25.7 20.7 88 88 A P - 0 0 11 0, 0.0 941,-0.3 0, 0.0 -1,-0.1 -0.253 35.4-168.2 -55.4 138.5 32.8 24.7 23.9 89 89 A N + 0 0 3 938,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.238 68.5 48.3-115.6 9.6 31.2 26.0 27.0 90 90 A R S S- 0 0 27 939,-0.1 939,-0.2 1,-0.0 -22,-0.1 -0.904 104.1 -64.8-136.5 167.2 34.0 25.1 29.4 91 91 A E - 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