==== 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 2H9Y . 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) . 38628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 63.3 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 . 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 . 55 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 26.5 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 3 2 5 2 2 0 6 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 . 2 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 0 173 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.7 30.4 14.2 55.6 2 2 A G + 0 0 71 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.569 360.0 39.8 129.5 -65.8 27.6 15.3 58.0 3 3 A R S S+ 0 0 251 -2,-0.2 2,-0.2 2,-0.1 0, 0.0 0.344 91.5 99.0-103.8 2.2 25.7 18.2 56.6 4 4 A E S S- 0 0 72 1,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.509 86.9 -82.7 -96.4 163.2 25.4 17.3 52.9 5 5 A D > - 0 0 46 -2,-0.2 3,-1.9 1,-0.2 4,-0.2 -0.451 35.3-146.1 -62.1 115.3 22.6 15.8 50.8 6 6 A P G > S+ 0 0 106 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.676 95.8 61.4 -59.8 -20.5 23.0 12.0 51.4 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.1 3,-0.0 -2,-0.1 0.552 96.7 60.4 -80.2 -7.0 21.8 11.3 47.8 8 8 A L G < S+ 0 0 19 -3,-1.9 11,-3.1 11,-0.1 2,-0.5 0.414 84.7 87.1-103.1 3.2 24.7 13.2 46.3 9 9 A L E < +A 18 0A 35 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.916 51.5 158.5-110.5 119.6 27.5 11.0 47.8 10 10 A V E -A 17 0A 11 7,-2.1 7,-3.5 -2,-0.5 2,-0.5 -0.986 29.9-140.1-141.6 145.6 28.6 8.0 45.8 11 11 A R E -A 16 0A 157 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.931 19.6-179.0-109.5 130.9 31.6 5.8 45.6 12 12 A V E > -A 15 0A 8 3,-2.9 3,-1.4 -2,-0.5 174,-0.1 -0.607 50.0 -83.0-112.3-179.3 33.0 4.4 42.3 13 13 A R T 3 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.793 128.7 46.2 -59.1 -30.0 36.1 2.1 41.7 14 14 A G T 3 S- 0 0 12 1,-0.3 42,-2.4 41,-0.1 2,-0.3 0.570 123.6 -77.9 -89.3 -10.4 38.5 5.1 41.8 15 15 A G E < -A 12 0A 5 -3,-1.4 -3,-2.9 40,-0.2 2,-0.3 -0.941 66.8 -25.8 145.5-166.9 37.1 6.8 44.9 16 16 A Q E -Ab 11 59A 55 42,-0.9 44,-2.9 -2,-0.3 2,-0.3 -0.608 48.7-165.4 -90.4 141.4 34.4 8.9 46.4 17 17 A L E -Ab 10 60A 1 -7,-3.5 -7,-2.1 -2,-0.3 2,-0.5 -0.929 12.6-152.6-124.8 149.2 32.3 11.5 44.4 18 18 A R E -Ab 9 61A 70 42,-2.2 44,-2.3 -2,-0.3 -9,-0.2 -0.977 21.1-170.4-120.2 116.9 30.1 14.3 45.3 19 19 A G - 0 0 3 -11,-3.1 2,-0.3 -2,-0.5 13,-0.2 -0.014 17.5-113.7 -87.1-165.6 27.3 15.2 42.8 20 20 A I E -C 31 0B 55 11,-2.5 11,-2.6 42,-0.3 2,-0.7 -0.987 14.4-127.5-136.8 142.3 24.9 18.1 42.5 21 21 A R E -C 30 0B 137 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.842 34.8-168.2 -90.1 116.1 21.1 18.3 42.7 22 22 A L E -C 29 0B 29 7,-2.6 7,-2.3 -2,-0.7 2,-0.5 -0.779 19.8-118.3-106.7 153.8 19.8 20.0 39.6 23 23 A K E -C 28 0B 134 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.804 28.5-179.9 -91.7 124.2 16.4 21.4 38.8 24 24 A A E > -C 27 0B 2 3,-2.1 3,-1.9 -2,-0.5 431,-0.0 -0.861 45.3-101.2-111.2 159.1 14.5 19.9 35.9 25 25 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.0 0, 0.0 430,-0.0 0.848 122.0 38.5 -49.2 -42.4 11.0 21.2 35.0 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.483 130.5 -59.5 -88.1 -4.0 9.2 18.3 36.7 27 27 A G E < S-C 24 0B 9 -3,-1.9 -3,-2.1 2,-0.0 -1,-0.2 -0.924 74.0 -32.5 149.6-175.9 11.5 17.9 39.7 28 28 A P E -C 23 0B 34 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.373 41.9-171.6 -78.9 151.3 15.1 17.3 40.8 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.6 75,-0.2 2,-0.5 -0.917 22.8-121.0-129.9 159.7 17.7 15.1 39.3 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.6 -2,-0.3 2,-0.4 -0.895 27.5-170.2 -99.8 132.8 21.2 14.0 40.4 31 31 A A E -CD 20 102B 0 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.6 -0.985 15.8-170.1-126.1 132.4 24.2 14.9 38.3 32 32 A F E - D 0 101B 0 69,-3.0 69,-1.8 -2,-0.4 2,-0.4 -0.922 25.1-177.9-117.9 98.0 27.8 13.7 38.7 33 33 A L E +n 63 0C 8 29,-3.1 31,-0.7 -2,-0.6 67,-0.2 -0.809 53.1 19.2-107.9 139.2 29.8 15.9 36.3 34 34 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.2 66,-0.2 0.863 68.4 167.3 76.2 38.5 33.5 15.8 35.5 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.4 -3,-0.3 -1,-0.2 -0.752 34.1-130.7 -82.7 118.5 34.3 12.2 36.7 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.3 0, 0.0 3,-0.1 -0.512 30.5 173.8 -73.0 133.6 37.8 11.3 35.3 37 37 A F + 0 0 5 60,-1.7 16,-1.0 -2,-0.2 2,-0.3 0.446 64.7 33.9-115.6 -3.0 37.9 7.9 33.6 38 38 A A B S-O 52 0D 3 59,-0.9 59,-0.1 14,-0.3 -1,-0.1 -0.931 89.5 -94.6-141.1 160.3 41.5 8.0 32.3 39 39 A E - 0 0 35 12,-2.6 12,-0.3 -2,-0.3 14,-0.1 -0.614 66.2 -85.1 -68.6 140.6 44.9 9.4 33.3 40 40 A P - 0 0 35 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.289 38.2-133.6 -51.5 125.0 45.2 12.8 31.6 41 41 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.323 60.0 133.2 -81.9 60.9 46.6 12.0 28.1 42 42 A V > - 0 0 62 -2,-2.2 3,-2.0 4,-0.1 2,-0.2 -0.662 54.4 -7.8-116.5 160.9 49.2 14.7 28.3 43 43 A G G > S+ 0 0 48 1,-0.3 3,-1.9 -2,-0.2 0, 0.0 -0.375 136.5 10.0 60.4-121.5 53.0 15.0 27.6 44 44 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.627 127.6 63.8 -65.7 -14.2 54.4 11.7 26.7 45 45 A R G X S+ 0 0 66 -3,-2.0 3,-1.8 -5,-0.1 -1,-0.3 0.424 71.7 122.1 -89.5 -2.3 50.9 10.2 26.6 46 46 A R T < S+ 0 0 13 -3,-1.9 -4,-0.1 1,-0.3 223,-0.1 -0.418 84.8 9.7 -61.2 139.0 49.8 12.4 23.6 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.322 108.4 118.9 67.8 -1.5 48.7 10.2 20.7 48 48 A M S < S- 0 0 32 -3,-1.8 -1,-0.2 119,-0.1 3,-0.1 -0.637 74.9 -93.2 -95.8 150.7 48.8 7.2 23.0 49 49 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.164 53.8 -95.6 -50.7 150.6 45.9 4.9 24.1 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.451 31.6-147.9 -72.9 142.2 44.2 6.0 27.3 51 51 A E - 0 0 86 -12,-0.3 -12,-2.6 -2,-0.1 3,-0.1 -0.891 33.6 -96.0-102.6 142.2 45.2 4.4 30.6 52 52 A P B -O 38 0D 88 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.239 47.4 -95.3 -57.9 144.1 42.5 3.9 33.3 53 53 A K - 0 0 67 -16,-1.0 -14,-0.1 -14,-0.1 3,-0.1 -0.346 38.2-125.0 -61.5 132.6 42.3 6.6 35.9 54 54 A R - 0 0 174 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.560 38.7 -87.7 -78.5 141.5 44.2 5.8 39.1 55 55 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.114 43.8-147.1 -49.7 142.5 42.3 6.0 42.4 56 56 A W - 0 0 47 -42,-2.4 2,-0.3 2,-0.1 -40,-0.2 -0.655 11.5-118.4-105.7 165.6 42.1 9.4 44.1 57 57 A S S S+ 0 0 119 -2,-0.2 -42,-0.0 -42,-0.1 2,-0.0 -0.824 71.3 2.1-105.3 148.1 41.9 10.2 47.8 58 58 A G S S- 0 0 48 -2,-0.3 -42,-0.9 2,-0.1 2,-0.7 -0.248 108.3 -32.9 77.0-165.7 39.1 12.0 49.5 59 59 A V E -b 16 0A 55 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.822 56.3-144.4 -97.8 113.1 35.9 13.2 47.9 60 60 A L E -b 17 0A 46 -44,-2.9 -42,-2.2 -2,-0.7 2,-0.9 -0.580 21.3-121.9 -72.3 131.4 36.2 14.3 44.2 61 61 A D E +b 18 0A 81 -2,-0.3 3,-0.3 -44,-0.2 -42,-0.1 -0.685 34.9 173.3 -77.4 107.5 33.9 17.2 43.4 62 62 A A + 0 0 0 -44,-2.3 -29,-3.1 -2,-0.9 -42,-0.3 -0.284 46.1 106.8-107.2 48.7 31.7 16.0 40.6 63 63 A T B S+n 33 0C 39 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.438 73.6 43.8-106.4 -1.9 29.4 19.1 40.6 64 64 A T S S- 0 0 71 -31,-0.7 -1,-0.1 -3,-0.3 2,-0.0 -0.995 86.7 -97.0-147.2 148.7 30.6 20.9 37.4 65 65 A F - 0 0 35 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.345 42.7-136.0 -61.6 144.0 31.6 20.0 33.8 66 66 A Q - 0 0 67 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.221 39.5 -49.3 -92.9-177.2 35.3 19.5 33.2 67 67 A N - 0 0 28 28,-0.2 2,-0.3 1,-0.1 31,-0.2 -0.129 52.2-124.0 -53.9 148.2 37.6 20.6 30.4 68 68 A V E -p 92 0E 0 23,-2.3 25,-2.4 1,-0.1 59,-0.1 -0.706 38.0 -95.2 -91.2 144.3 36.7 20.2 26.8 69 69 A a E -p 93 0E 1 57,-0.3 25,-0.2 -2,-0.3 57,-0.1 -0.298 52.5 -87.9 -63.3 144.1 39.1 18.3 24.6 70 70 A Y S S+ 0 0 46 23,-0.8 83,-0.4 22,-0.1 2,-0.3 -0.312 70.2 149.1 -62.1 129.6 41.6 20.5 22.7 71 71 A Q - 0 0 5 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.994 52.7 -84.0-159.5 157.6 40.0 21.4 19.4 72 72 A Y - 0 0 72 52,-0.7 2,-0.5 -2,-0.3 82,-0.0 -0.471 44.6-144.2 -59.8 132.6 39.4 23.7 16.4 73 73 A V - 0 0 59 -2,-0.2 2,-0.1 52,-0.1 14,-0.1 -0.942 16.3-118.0-113.1 122.5 36.8 26.2 17.3 74 74 A D + 0 0 24 -2,-0.5 13,-0.0 1,-0.1 12,-0.0 -0.353 36.8 168.7 -60.6 131.7 34.4 27.3 14.6 75 75 A T + 0 0 105 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.265 41.7 106.9-129.4 10.7 34.7 31.0 13.9 76 76 A L S S+ 0 0 72 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.860 91.8 22.9 -65.1 -43.7 32.6 31.5 10.7 77 77 A Y S > S- 0 0 30 3,-0.1 3,-1.4 266,-0.0 6,-0.3 -0.674 81.6-166.9-125.9 78.6 29.6 33.2 12.2 78 78 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.334 72.7 22.9 -71.6 145.8 30.6 34.9 15.5 79 79 A G T 3 S+ 0 0 81 1,-0.2 2,-0.5 2,-0.0 3,-0.0 0.251 95.2 123.7 87.4 -9.7 27.8 36.1 17.8 80 80 A F X> - 0 0 27 -3,-1.4 4,-2.4 1,-0.1 3,-1.2 -0.747 57.3-150.1 -99.8 122.3 25.4 33.7 16.2 81 81 A E H 3> S+ 0 0 122 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.829 92.5 68.6 -55.9 -36.1 23.5 31.1 18.4 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.782 115.2 23.9 -58.1 -31.8 23.4 28.6 15.5 83 83 A T H X4 S+ 0 0 2 -3,-1.2 3,-1.8 -6,-0.3 4,-0.5 0.798 118.1 59.3 -99.8 -38.7 27.1 28.1 15.6 84 84 A E H >< S+ 0 0 86 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.788 91.4 70.9 -65.2 -28.9 28.0 29.0 19.2 85 85 A M T 3< S+ 0 0 31 -4,-2.3 47,-0.3 1,-0.2 -1,-0.3 0.722 103.7 43.1 -58.5 -21.4 25.6 26.4 20.5 86 86 A W T < S+ 0 0 42 -3,-1.8 -1,-0.2 -5,-0.2 40,-0.2 0.524 94.8 102.3 -99.3 -9.9 28.2 23.8 19.3 87 87 A N S < S- 0 0 17 -3,-1.1 -14,-0.1 -4,-0.5 40,-0.1 -0.322 87.4 -78.9 -78.4 156.7 31.3 25.6 20.5 88 88 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.283 36.8-171.6 -54.5 133.8 33.3 24.6 23.6 89 89 A N + 0 0 49 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.206 69.1 46.2-114.3 12.0 31.7 25.9 26.8 90 90 A R S S- 0 0 103 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.884 105.8 -64.2-138.1 172.4 34.5 24.9 29.2 91 91 A E - 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