==== 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/TOXIN 21-JAN-02 1KU6 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,W.BURMEISTER,P.TAYLOR,P.MARCHOT . 596 3 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.6 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 2 0 2 3 0 0 3 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 1 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 PARALLEL BRIDGES PER LADDER . 3 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 R 0 0 116 0, 0.0 6,-0.0 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 57.8 11.9 37.6 -20.5 2 4 A E + 0 0 190 1,-0.2 5,-0.1 4,-0.0 3,-0.0 0.823 360.0 64.9-105.8 -49.9 15.0 35.3 -20.5 3 5 A D > - 0 0 37 1,-0.2 3,-3.2 3,-0.1 4,-0.3 -0.616 62.9-167.1 -81.2 91.0 15.3 33.7 -17.0 4 6 A P T 3 S+ 0 0 92 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.633 84.1 71.0 -53.8 -10.3 12.2 31.5 -17.0 5 7 A Q T 3 S+ 0 0 47 1,-0.2 -2,-0.1 3,-0.0 23,-0.0 0.755 98.7 44.4 -77.7 -25.3 12.9 31.2 -13.3 6 8 A L S < S+ 0 0 21 -3,-3.2 11,-2.8 11,-0.1 2,-0.5 0.242 95.2 93.6-101.1 9.0 11.9 34.8 -12.6 7 9 A L E +A 16 0A 51 -3,-0.5 2,-0.3 -4,-0.3 9,-0.2 -0.915 52.3 168.6-106.0 126.1 8.8 34.6 -14.8 8 10 A V E -A 15 0A 3 7,-2.1 7,-2.6 -2,-0.5 2,-0.7 -0.999 27.8-149.6-141.1 138.9 5.6 33.7 -12.9 9 11 A R E +A 14 0A 160 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.891 21.7 176.3-108.1 105.7 1.9 33.8 -13.8 10 12 A V - 0 0 3 3,-2.0 3,-0.4 -2,-0.7 174,-0.1 -0.446 52.4 -89.6 -95.0-179.1 -0.3 34.5 -10.8 11 13 A R S S+ 0 0 168 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.867 125.7 56.2 -63.1 -30.2 -4.0 34.8 -11.2 12 14 A G S S- 0 0 14 1,-0.2 42,-2.2 41,-0.1 2,-0.3 0.858 120.8 -77.0 -68.7 -36.0 -3.7 38.5 -11.8 13 15 A G - 0 0 7 -3,-0.4 -3,-2.0 40,-0.2 2,-0.3 -0.976 67.8 -32.3 168.6-158.9 -1.3 38.4 -14.7 14 16 A Q E -Ab 9 57A 70 42,-1.1 44,-2.1 -2,-0.3 2,-0.3 -0.668 52.1-166.1 -90.0 146.2 2.4 37.8 -15.5 15 17 A L E -Ab 8 58A 0 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.955 11.5-152.4-129.8 150.9 5.1 38.9 -13.1 16 18 A R E -Ab 7 59A 77 42,-1.9 44,-2.8 -2,-0.3 -9,-0.2 -0.972 17.9-171.6-126.7 117.8 8.8 39.3 -13.5 17 19 A G - 0 0 3 -11,-2.8 2,-0.4 -2,-0.5 13,-0.2 -0.066 17.9-115.7 -90.8-165.9 11.0 38.9 -10.4 18 20 A I E -C 29 0B 58 11,-3.2 11,-3.0 42,-0.3 2,-0.4 -0.997 16.0-121.7-139.3 140.5 14.7 39.5 -9.9 19 21 A R E -C 28 0B 125 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.678 35.7-166.7 -80.9 131.1 17.6 37.3 -9.0 20 22 A L E -C 27 0B 33 7,-3.1 7,-2.5 -2,-0.4 2,-0.8 -0.884 19.8-121.4-121.3 153.5 19.3 38.4 -5.7 21 23 A K E -C 26 0B 147 -2,-0.3 113,-0.1 5,-0.2 -2,-0.0 -0.822 26.4-180.0 -98.8 107.0 22.6 37.5 -4.1 22 24 A A - 0 0 5 3,-1.7 113,-0.1 -2,-0.8 5,-0.1 0.086 50.0 -92.4 -78.3-157.1 22.4 36.0 -0.6 23 25 A P S S+ 0 0 40 0, 0.0 -1,-0.0 0, 0.0 432,-0.0 0.813 121.5 30.5 -94.4 -25.2 25.7 35.2 1.0 24 26 A G S S- 0 0 60 111,-0.1 -3,-0.0 1,-0.0 111,-0.0 0.621 131.2 -33.9-103.0 -15.9 26.0 31.6 -0.2 25 27 A G S S- 0 0 20 -5,-0.0 -3,-1.7 0, 0.0 2,-0.3 -0.778 77.0 -53.0-169.3-146.7 24.0 31.7 -3.4 26 28 A P E -C 21 0B 44 0, 0.0 77,-1.2 0, 0.0 2,-0.3 -0.832 34.9-161.9-119.2 157.9 21.1 33.4 -5.3 27 29 A V E -CD 20 102B 0 -7,-2.5 -7,-3.1 -2,-0.3 2,-0.7 -0.978 23.4-120.5-137.2 150.5 17.4 33.8 -4.6 28 30 A S E -CD 19 101B 0 73,-2.3 73,-1.9 -2,-0.3 2,-0.5 -0.809 33.1-170.2 -88.6 113.4 14.3 34.6 -6.7 29 31 A A E -CD 18 100B 0 -11,-3.0 -11,-3.2 -2,-0.7 2,-0.5 -0.917 13.5-172.4-109.7 133.1 12.8 37.8 -5.3 30 32 A F E - D 0 99B 0 69,-2.5 69,-1.8 -2,-0.5 3,-0.4 -0.871 22.2-178.1-122.3 91.6 9.3 39.0 -6.5 31 33 A L E +n 61 0C 9 29,-2.7 31,-0.6 -2,-0.5 67,-0.2 -0.658 50.7 18.7 -99.8 150.2 8.9 42.5 -5.0 32 34 A G E + 0 0 7 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.769 67.2 169.5 70.2 30.6 6.1 45.0 -5.1 33 35 A I E - D 0 97B 0 64,-2.0 64,-2.4 -3,-0.4 2,-0.5 -0.638 33.6-131.5 -77.1 115.7 3.3 42.6 -6.2 34 36 A P E + D 0 96B 3 0, 0.0 62,-0.3 0, 0.0 17,-0.1 -0.570 29.4 175.9 -70.3 119.4 -0.0 44.5 -5.8 35 37 A F + 0 0 5 60,-1.7 16,-0.7 -2,-0.5 2,-0.3 0.465 64.4 25.6-103.9 -0.9 -2.4 42.4 -3.9 36 38 A A B S-O 50 0D 3 59,-1.0 59,-0.1 14,-0.3 15,-0.1 -0.986 88.4 -90.7-154.1 160.5 -5.2 44.9 -3.6 37 39 A E - 0 0 36 12,-2.1 12,-0.4 -2,-0.3 14,-0.1 -0.523 65.4 -87.3 -70.3 140.6 -6.6 48.0 -5.4 38 40 A P - 0 0 38 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.304 36.0-137.2 -52.8 122.9 -5.0 51.1 -3.9 39 41 A P + 0 0 4 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.370 60.2 121.9 -83.9 60.7 -7.1 52.2 -0.8 40 42 A V > + 0 0 59 -2,-1.8 3,-2.9 4,-0.1 4,-0.2 -0.476 58.6 9.3-110.3-178.6 -7.0 55.9 -1.6 41 43 A G G > S+ 0 0 42 1,-0.3 3,-1.2 2,-0.2 0, 0.0 -0.231 137.4 1.3 52.7-120.8 -9.8 58.5 -2.1 42 44 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 3,-0.1 227,-0.0 0.627 129.5 65.8 -72.6 -15.5 -13.1 57.0 -1.3 43 45 A R G X S+ 0 0 64 -3,-2.9 3,-2.2 -5,-0.2 -1,-0.3 0.576 72.9 120.9 -83.2 -9.7 -11.5 53.7 -0.3 44 46 A R T < S+ 0 0 10 -3,-1.2 -4,-0.1 1,-0.3 111,-0.1 -0.340 85.3 7.4 -58.5 130.0 -9.8 55.4 2.6 45 47 A F T 3 S+ 0 0 2 109,-0.4 122,-0.5 1,-0.3 -1,-0.3 0.304 110.5 118.2 78.4 -7.2 -10.7 53.7 5.9 46 48 A M S < S- 0 0 37 -3,-2.2 -1,-0.3 1,-0.1 118,-0.1 -0.439 76.0 -89.4 -90.8 163.3 -12.5 51.1 3.9 47 49 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 -0.402 53.9-100.2 -65.8 144.7 -11.9 47.3 3.6 48 50 A P - 0 0 22 0, 0.0 -12,-0.0 0, 0.0 122,-0.0 -0.190 32.4-146.3 -66.0 160.6 -9.4 46.3 0.9 49 51 A E - 0 0 62 -12,-0.4 -12,-2.1 3,-0.0 3,-0.1 -0.954 28.9 -93.6-127.5 145.8 -10.5 45.0 -2.5 50 52 A P B -O 36 0D 94 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.274 47.2-102.4 -58.6 146.4 -8.8 42.4 -4.7 51 53 A K - 0 0 70 -16,-0.7 3,-0.1 -15,-0.1 -14,-0.0 -0.546 38.8-119.4 -68.9 127.6 -6.4 43.9 -7.3 52 54 A R - 0 0 153 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.0 -0.384 40.4 -92.0 -65.8 148.6 -8.2 43.8 -10.7 53 55 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.173 42.4-149.6 -60.8 159.0 -6.2 41.6 -13.2 54 56 A W - 0 0 46 -42,-2.2 2,-0.3 2,-0.1 -40,-0.2 -0.928 5.7-134.0-130.7 153.5 -3.7 43.2 -15.5 55 57 A S + 0 0 119 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.689 69.8 32.1-102.5 161.4 -2.4 42.5 -19.0 56 58 A G S S- 0 0 52 -2,-0.3 -42,-1.1 1,-0.1 2,-0.7 -0.279 102.5 -57.3 86.6-178.4 1.3 42.5 -19.9 57 59 A V E -b 14 0A 76 -44,-0.1 -42,-0.2 -2,-0.1 2,-0.2 -0.897 51.5-144.8-111.4 108.6 4.2 41.6 -17.6 58 60 A L E -b 15 0A 45 -44,-2.1 -42,-1.9 -2,-0.7 2,-0.6 -0.433 17.7-119.3 -71.2 138.8 4.4 43.5 -14.4 59 61 A D E +b 16 0A 75 -44,-0.2 3,-0.2 -2,-0.2 -42,-0.1 -0.708 34.4 171.5 -83.9 118.5 7.8 44.4 -13.0 60 62 A A + 0 0 0 -44,-2.8 -29,-2.7 -2,-0.6 -42,-0.3 -0.314 45.0 106.8-118.9 47.1 8.2 42.9 -9.6 61 63 A T B S+n 31 0C 31 -31,-0.2 2,-0.3 -44,-0.2 -29,-0.1 0.341 71.3 53.2-109.6 8.7 11.9 43.6 -9.1 62 64 A T S S- 0 0 77 -31,-0.6 2,-0.2 -3,-0.2 -44,-0.0 -0.948 83.5-101.4-141.4 159.6 11.6 46.4 -6.5 63 65 A F - 0 0 40 -2,-0.3 3,-0.1 -32,-0.1 2,-0.1 -0.585 42.5-133.7 -77.0 141.4 10.1 47.2 -3.1 64 66 A Q - 0 0 60 -2,-0.2 63,-0.1 1,-0.2 -1,-0.1 -0.243 36.2 -60.1 -89.8-179.6 6.9 49.4 -3.3 65 67 A N - 0 0 45 28,-0.3 2,-0.3 1,-0.1 25,-0.2 -0.023 52.2-117.8 -55.3 164.1 5.8 52.4 -1.4 66 68 A V E -p 90 0E 0 23,-3.4 25,-3.0 -3,-0.1 3,-0.1 -0.824 36.1 -95.1-106.2 144.2 5.4 52.3 2.4 67 69 A a E -p 91 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.2 -0.368 54.2 -88.3 -62.6 134.1 2.0 52.9 4.0 68 70 A Y S S+ 0 0 43 23,-1.0 83,-0.3 -2,-0.1 2,-0.3 -0.150 71.9 146.7 -45.1 122.0 1.5 56.5 5.0 69 71 A Q - 0 0 3 477,-0.1 2,-0.1 -3,-0.1 54,-0.1 -0.989 52.7 -83.7-159.1 164.7 2.9 56.8 8.6 70 72 A Y - 0 0 1 52,-0.9 2,-0.5 -2,-0.3 476,-0.2 -0.479 40.3-139.3 -70.0 140.5 4.6 58.8 11.3 71 73 A V - 0 0 3 474,-2.4 2,-1.0 -2,-0.1 476,-0.2 -0.919 16.6-126.9-105.0 124.2 8.4 58.7 11.0 72 74 A D + 0 0 19 -2,-0.5 3,-0.2 9,-0.2 12,-0.1 -0.588 38.1 165.4 -76.6 105.2 10.1 58.3 14.4 73 75 A T + 0 0 4 -2,-1.0 -1,-0.1 498,-0.4 500,-0.1 -0.163 30.4 122.2-112.4 39.2 12.6 61.2 14.6 74 76 A L S S+ 0 0 12 1,-0.3 -1,-0.2 497,-0.1 498,-0.0 0.920 84.6 28.4 -67.0 -40.7 13.4 61.2 18.3 75 77 A Y S > S- 0 0 13 -3,-0.2 3,-2.4 3,-0.1 7,-0.3 -0.750 81.6-149.9-125.9 86.4 17.1 60.7 17.6 76 78 A P T 3 S+ 0 0 6 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.262 85.3 8.9 -55.1 127.6 18.3 62.1 14.3 77 79 A G T 3 S+ 0 0 60 1,-0.3 2,-0.5 472,-0.1 -4,-0.0 0.434 95.3 128.4 83.0 -3.4 21.3 60.0 13.0 78 80 A F <> - 0 0 20 -3,-2.4 4,-2.6 1,-0.1 3,-0.3 -0.772 51.0-152.9 -89.5 125.9 20.9 57.3 15.6 79 81 A E H > S+ 0 0 105 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.737 89.8 68.5 -69.4 -21.9 20.7 53.8 14.1 80 82 A G H 4 S+ 0 0 0 2,-0.2 -1,-0.2 1,-0.2 354,-0.1 0.950 114.7 25.0 -62.6 -47.0 18.7 52.6 17.0 81 83 A T H >4 S+ 0 0 4 -3,-0.3 3,-1.3 -6,-0.2 4,-0.3 0.889 121.3 55.1 -85.4 -39.2 15.7 54.6 16.0 82 84 A E H >< S+ 0 0 35 -4,-2.6 3,-1.3 -7,-0.3 -3,-0.2 0.721 86.8 75.2 -69.9 -22.1 16.3 55.0 12.3 83 85 A M T 3< S+ 0 0 42 -4,-1.6 47,-0.3 1,-0.3 -1,-0.3 0.589 100.8 49.2 -65.8 -4.9 16.6 51.4 11.4 84 86 A W T < S+ 0 0 48 -3,-1.3 -1,-0.3 -12,-0.1 -2,-0.2 0.535 85.5 106.5-108.7 -9.9 12.8 51.4 11.8 85 87 A N S < S- 0 0 5 -3,-1.3 -14,-0.1 -4,-0.3 40,-0.1 -0.241 87.4 -87.1 -63.8 155.1 12.0 54.4 9.6 86 88 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.383 33.4-158.4 -64.5 148.2 10.4 53.7 6.3 87 89 A N S S+ 0 0 41 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.071 72.2 45.8-116.2 21.5 13.1 53.1 3.5 88 90 A R S S- 0 0 108 40,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.939 103.1 -66.5-151.9 167.3 10.9 53.9 0.6 89 91 A E - 0 0 150 -2,-0.3 -23,-3.4 1,-0.1 2,-0.4 -0.223 50.2-116.6 -63.7 148.4 8.5 56.6 -0.3 90 92 A L E +p 66 0E 35 -25,-0.2 2,-0.3 456,-0.1 -23,-0.2 -0.702 44.9 153.3 -87.2 135.3 5.2 57.0 1.7 91 93 A S E -p 67 0E 29 -25,-3.0 -23,-1.0 -2,-0.4 0, 0.0 -0.992 53.3-132.2-157.0 153.9 1.9 56.5 -0.1 92 94 A E S S+ 0 0 34 -2,-0.3 2,-2.0 -25,-0.2 3,-0.2 0.798 102.8 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