==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-07 2JEZ . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.EKSTROM,C.ASTOT,Y.P.PANG . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 6.4 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 . 1 0.1 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 . 77 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 4 4 1 2 4 2 1 1 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 2 4 1 3 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 . 5 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 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.0 30.1 14.2 53.9 2 2 A G + 0 0 61 2,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.056 360.0 63.8 134.6 -31.8 27.2 14.4 56.2 3 3 A R S S+ 0 0 237 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.561 93.6 77.8 -94.6 -9.9 25.7 17.8 55.8 4 4 A E S S- 0 0 62 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.367 97.0 -63.6-105.5 175.8 24.8 17.3 52.1 5 5 A D > - 0 0 41 1,-0.2 3,-1.9 -2,-0.1 4,-0.3 -0.363 39.2-151.9 -64.8 113.4 22.1 15.6 50.0 6 6 A P T 3 S+ 0 0 108 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.653 90.8 62.9 -64.3 -13.5 22.4 11.9 50.7 7 7 A Q T 3 S+ 0 0 50 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.396 96.8 57.3 -92.1 4.0 21.0 11.1 47.2 8 8 A L S < S+ 0 0 14 -3,-1.9 11,-2.9 11,-0.1 2,-0.7 0.384 81.8 94.5-112.5 -0.9 23.9 12.7 45.4 9 9 A L E +A 18 0A 25 -3,-0.5 2,-0.4 -4,-0.3 9,-0.2 -0.852 50.0 162.1 -98.8 115.3 26.7 10.7 46.9 10 10 A V E -A 17 0A 6 7,-2.7 7,-4.3 -2,-0.7 2,-0.5 -0.980 28.7-143.2-130.5 145.5 27.6 7.8 44.7 11 11 A R E +A 16 0A 151 -2,-0.4 2,-0.2 5,-0.3 5,-0.2 -0.918 20.0 179.4-104.3 138.1 30.6 5.6 44.6 12 12 A V E > -A 15 0A 7 3,-3.4 3,-2.1 -2,-0.5 174,-0.1 -0.733 50.1 -83.0-122.8 176.9 31.9 4.3 41.3 13 13 A R T 3 S+ 0 0 153 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.795 129.9 46.6 -52.7 -34.3 35.0 2.1 40.6 14 14 A G T 3 S- 0 0 7 1,-0.3 42,-3.1 22,-0.1 2,-0.3 0.527 123.4 -88.9 -89.4 -8.2 37.3 5.1 40.7 15 15 A G E < -A 12 0A 5 -3,-2.1 -3,-3.4 40,-0.2 2,-0.4 -0.938 65.9 -11.4 141.3-159.7 35.8 6.5 43.8 16 16 A Q E -Ab 11 59A 55 42,-0.9 44,-3.7 -2,-0.3 2,-0.4 -0.649 48.4-167.4 -90.5 135.2 33.3 8.8 45.4 17 17 A L E -Ab 10 60A 0 -7,-4.3 -7,-2.7 -2,-0.4 2,-0.6 -0.939 12.6-157.4-119.6 140.4 31.2 11.2 43.4 18 18 A R E -Ab 9 61A 65 42,-2.7 44,-3.4 -2,-0.4 -9,-0.2 -0.980 22.5-172.1-111.5 118.6 29.0 14.0 44.5 19 19 A G - 0 0 3 -11,-2.9 2,-0.4 -2,-0.6 13,-0.3 -0.121 20.0-107.0 -91.9-165.5 26.4 14.9 41.9 20 20 A I E -C 31 0B 55 11,-3.2 11,-3.3 42,-0.4 2,-0.9 -0.983 13.8-128.8-132.5 137.5 23.9 17.7 41.7 21 21 A R E -C 30 0B 114 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.796 37.6-165.5 -81.7 110.1 20.2 17.8 42.2 22 22 A L E -C 29 0B 25 7,-3.0 7,-3.2 -2,-0.9 2,-0.7 -0.841 18.6-120.6-102.1 141.4 19.1 19.5 39.0 23 23 A K E -C 28 0B 123 -2,-0.4 113,-0.1 5,-0.2 7,-0.0 -0.695 29.7-178.8 -79.9 114.2 15.6 21.0 38.4 24 24 A A E > -C 27 0B 0 3,-2.3 3,-2.2 -2,-0.7 430,-0.0 -0.779 43.5-103.6 -99.7 160.3 13.8 19.5 35.5 25 25 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.867 121.7 41.4 -51.8 -40.8 10.3 20.9 34.6 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.1 111,-0.0 0.365 132.6 -60.4 -90.5 5.2 8.5 17.9 36.1 27 27 A G E < S-C 24 0B 14 -3,-2.2 -3,-2.3 2,-0.0 -1,-0.3 -0.857 76.6 -34.6 139.4-175.4 10.7 17.7 39.2 28 28 A P E -C 23 0B 30 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.381 43.1-166.2 -85.2 155.8 14.3 17.1 40.2 29 29 A V E -CD 22 104B 0 -7,-3.2 -7,-3.0 75,-0.2 2,-0.6 -0.916 23.0-119.7-128.6 158.2 17.0 14.9 38.6 30 30 A S E -CD 21 103B 0 73,-3.4 73,-2.5 -2,-0.3 2,-0.5 -0.880 30.7-171.6 -97.1 127.0 20.3 13.6 39.8 31 31 A A E -CD 20 102B 0 -11,-3.3 -11,-3.2 -2,-0.6 2,-0.6 -0.975 15.7-172.4-119.0 131.8 23.2 14.7 37.6 32 32 A F E - D 0 101B 0 69,-3.6 69,-2.6 -2,-0.5 3,-0.4 -0.927 24.4-175.6-117.0 102.5 26.7 13.5 38.0 33 33 A L E +n 63 0C 7 29,-3.1 31,-0.6 -2,-0.6 67,-0.2 -0.782 54.2 14.9-108.5 144.2 28.7 15.7 35.6 34 34 A G E S+ 0 0 1 -2,-0.3 -1,-0.2 65,-0.3 66,-0.2 0.910 70.7 170.2 63.4 42.7 32.3 15.6 34.6 35 35 A I E - D 0 99B 0 64,-3.1 64,-3.4 -3,-0.4 -1,-0.2 -0.801 35.2-126.5 -81.3 118.9 33.0 12.1 36.0 36 36 A P E + D 0 98B 1 0, 0.0 62,-0.3 0, 0.0 -22,-0.1 -0.450 34.7 172.0 -69.0 134.8 36.4 11.2 34.7 37 37 A F + 0 0 3 60,-2.0 16,-1.0 1,-0.2 2,-0.3 0.391 65.1 31.7-122.0 -2.7 36.5 7.9 32.9 38 38 A A B S-O 52 0D 2 59,-1.0 -1,-0.2 14,-0.3 15,-0.2 -0.964 90.3 -92.4-146.2 160.5 40.0 8.0 31.6 39 39 A E - 0 0 20 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.559 67.3 -85.0 -67.4 138.6 43.3 9.4 32.5 40 40 A P - 0 0 27 0, 0.0 2,-2.8 0, 0.0 55,-0.2 -0.298 38.4-135.0 -48.0 119.1 43.6 12.8 30.9 41 41 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.239 63.2 132.2 -76.7 55.1 44.8 11.9 27.5 42 42 A V > - 0 0 58 -2,-2.8 3,-2.8 4,-0.1 4,-0.1 -0.500 54.2 -3.4-101.8 168.5 47.3 14.7 27.8 43 43 A G G > S+ 0 0 45 1,-0.3 3,-1.5 2,-0.2 0, 0.0 -0.262 137.6 4.8 58.3-120.7 51.0 15.1 27.2 44 44 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.1 224,-0.1 0.590 128.3 65.3 -71.0 -11.7 52.5 11.8 26.1 45 45 A R G X S+ 0 0 65 -3,-2.8 3,-1.5 -5,-0.2 -1,-0.3 0.449 71.9 120.9 -92.4 -2.0 49.0 10.2 26.1 46 46 A R T < S+ 0 0 11 -3,-1.5 -4,-0.1 1,-0.3 222,-0.1 -0.408 85.2 9.7 -62.9 139.9 47.9 12.4 23.2 47 47 A F T 3 S+ 0 0 0 109,-0.5 122,-0.4 1,-0.2 -1,-0.3 0.224 108.5 118.3 69.4 -14.1 46.8 10.2 20.3 48 48 A M S < S- 0 0 33 -3,-1.5 -1,-0.2 119,-0.1 3,-0.1 -0.517 78.0 -93.8 -80.4 147.9 47.1 7.3 22.6 49 49 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.196 56.1 -92.6 -46.8 150.6 44.1 5.0 23.5 50 50 A P - 0 0 18 0, 0.0 3,-0.0 0, 0.0 -4,-0.0 -0.477 35.8-141.9 -72.9 144.3 42.5 6.2 26.7 51 51 A E - 0 0 94 -12,-0.4 -12,-2.8 -2,-0.1 3,-0.1 -0.865 34.8 -91.9 -97.7 140.4 43.7 4.6 29.9 52 52 A P B -O 38 0D 86 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.151 51.3 -93.8 -44.8 141.0 41.2 3.8 32.6 53 53 A K - 0 0 55 -16,-1.0 -14,-0.1 -15,-0.2 3,-0.1 -0.471 40.6-125.0 -62.8 121.7 40.7 6.6 35.1 54 54 A R - 0 0 144 -2,-0.3 -1,-0.1 -3,-0.1 -40,-0.1 -0.491 39.8 -93.6 -67.0 135.4 43.0 5.9 38.0 55 55 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.179 43.6-146.5 -52.0 146.8 40.9 5.9 41.2 56 56 A W - 0 0 43 -42,-3.1 2,-0.3 2,-0.1 -40,-0.3 -0.706 9.0-119.4-111.1 165.4 40.8 9.2 43.0 57 57 A S S S+ 0 0 117 -2,-0.2 -42,-0.0 -42,-0.1 2,-0.0 -0.803 70.5 9.9-109.5 153.8 40.6 9.9 46.7 58 58 A G S S- 0 0 47 -2,-0.3 -42,-0.9 2,-0.1 2,-0.8 -0.205 109.0 -38.7 74.6-172.2 37.8 11.8 48.5 59 59 A V E -b 16 0A 43 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.795 57.8-142.9 -94.2 113.2 34.6 12.8 47.0 60 60 A L E -b 17 0A 36 -44,-3.7 -42,-2.7 -2,-0.8 2,-0.6 -0.607 20.8-122.3 -70.9 131.1 35.0 14.0 43.4 61 61 A D E +b 18 0A 72 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.2 -0.711 34.9 173.1 -80.0 121.5 32.7 16.9 42.7 62 62 A A + 0 0 0 -44,-3.4 -29,-3.1 -2,-0.6 -42,-0.4 -0.410 45.3 107.1-123.4 49.8 30.5 15.9 39.8 63 63 A T B S+n 33 0C 32 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.480 74.0 43.6-111.5 -9.5 28.2 18.9 39.8 64 64 A T S S- 0 0 78 -31,-0.6 -1,-0.1 -3,-0.2 2,-0.0 -0.961 90.0 -95.9-135.7 154.5 29.4 20.7 36.7 65 65 A F - 0 0 28 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.361 43.0-132.4 -64.8 150.3 30.3 19.7 33.2 66 66 A Q - 0 0 59 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.400 41.3 -49.8 -97.2 178.2 33.9 19.2 32.6 67 67 A N - 0 0 23 28,-0.2 2,-0.3 -2,-0.1 31,-0.3 -0.055 52.9-125.3 -46.1 141.4 36.2 20.3 29.9 68 68 A V E -p 92 0E 0 23,-2.5 25,-2.9 -3,-0.1 3,-0.1 -0.707 39.6 -93.1 -83.6 142.5 35.2 19.9 26.3 69 69 A a E -p 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.327 54.2 -87.4 -61.2 138.7 37.7 18.0 24.2 70 70 A Y S S+ 0 0 46 23,-0.9 83,-0.4 22,-0.1 2,-0.3 -0.204 72.1 150.0 -55.6 126.2 40.1 20.3 22.4 71 71 A Q - 0 0 1 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.985 51.6 -83.3-156.0 160.7 38.4 21.2 19.2 72 72 A Y - 0 0 57 52,-0.8 2,-0.6 -2,-0.3 52,-0.0 -0.468 40.3-140.1 -62.4 134.1 37.8 23.6 16.4 73 73 A V - 0 0 53 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.932 19.7-124.3-102.1 115.4 35.2 26.3 17.3 74 74 A D + 0 0 11 -2,-0.6 3,-0.1 9,-0.2 12,-0.1 -0.370 34.6 173.1 -62.8 128.5 33.0 27.0 14.3 75 75 A T + 0 0 88 -2,-0.1 -1,-0.1 1,-0.1 9,-0.0 0.161 41.2 110.3-128.5 21.0 33.1 30.8 13.7 76 76 A L S S+ 0 0 81 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.876 93.9 24.5 -63.4 -40.0 31.2 31.2 10.4 77 77 A Y S > S- 0 0 28 3,-0.1 3,-1.8 -3,-0.1 6,-0.3 -0.619 83.6-158.9-129.3 73.7 28.3 33.0 12.2 78 78 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.315 80.8 10.1 -59.4 121.7 29.6 34.6 15.4 79 79 A G T 3 S+ 0 0 65 1,-0.4 2,-0.3 -2,-0.1 -4,-0.0 0.069 94.1 130.3 97.0 -22.5 26.7 35.2 17.9 80 80 A F X> - 0 0 27 -3,-1.8 4,-1.9 1,-0.1 3,-0.9 -0.518 54.0-146.8 -65.7 125.8 24.3 33.2 15.7 81 81 A E H 3> S+ 0 0 118 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.884 91.9 65.7 -62.8 -42.4 22.5 30.7 18.0 82 82 A G H 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 351,-0.1 0.718 114.9 30.2 -58.4 -24.4 22.2 28.0 15.3 83 83 A T H X4 S+ 0 0 1 -3,-0.9 3,-0.9 -6,-0.3 4,-0.4 0.708 115.6 59.8-101.1 -27.2 26.0 27.6 15.3 84 84 A E H >< S+ 0 0 70 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.853 91.5 66.8 -71.9 -36.4 26.7 28.5 18.9 85 85 A M T 3< S+ 0 0 29 -4,-2.7 47,-0.4 1,-0.3 -1,-0.2 0.627 105.6 45.5 -58.5 -14.7 24.5 25.7 20.4 86 86 A W T < S+ 0 0 17 -3,-0.9 40,-0.3 -5,-0.2 -1,-0.3 0.560 93.5 104.0-100.9 -15.5 27.1 23.3 18.9 87 87 A N S < S- 0 0 12 -3,-1.4 -14,-0.1 -4,-0.4 40,-0.1 -0.367 89.1 -87.6 -74.6 146.6 30.0 25.3 20.2 88 88 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.241 36.4-168.9 -53.6 138.8 31.9 24.1 23.2 89 89 A N + 0 0 48 2,-0.1 2,-0.3 -3,-0.1 -24,-0.1 0.096 67.0 50.2-123.2 16.5 30.3 25.4 26.3 90 90 A R S S- 0 0 109 3,-0.0 -24,-0.1 1,-0.0 -23,-0.1 -0.917 106.9 -61.0-142.2 168.3 33.1 24.5 28.7 91 91 A E - 0 0 136 -2,-0.3 -23,-2.5 1,-0.1 2,-0.6 -0.193 52.1-119.9 -53.8 136.9 36.8 25.0 28.6 92 92 A L E +p 68 0E 38 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.730 52.0 148.9 -78.1 119.9 38.6 23.5 25.7 93 93 A S E -p 69 0E 23 -25,-2.9 -23,-0.9 -2,-0.6 -3,-0.0 -0.991 57.6-133.1-151.7 150.9 41.1 21.0 27.0 94 94 A E S S+ 0 0 28 -2,-0.3 2,-1.5 -25,-0.2 3,-0.3 0.710 102.6 78.9 -72.7 -23.2 42.7 17.8 26.0 95 95 A D + 0 0 39 1,-0.2 -28,-0.2 -55,-0.2 -1,-0.2 -0.738 63.3 115.6 -82.2 91.1 41.9 16.8 29.5 96 96 A a + 0 0 0 -2,-1.5 2,-2.3 -30,-0.1 -27,-0.2 0.371 18.9 122.0-145.7 -0.7 38.3 16.2 28.6 97 97 A L + 0 0 1 -3,-0.3 -60,-2.0 -29,-0.1 -59,-1.0 -0.468 43.4 127.6 -78.4 76.3 37.6 12.5 29.0 98 98 A Y E -D 36 0B 20 -2,-2.3 52,-2.6 -31,-0.3 2,-0.3 -0.945 42.0-154.7-127.8 146.5 34.7 13.0 31.4 99 99 A L E -DE 35 149B 0 -64,-3.4 -64,-3.1 -2,-0.4 2,-0.4 -0.755 6.8-136.9-118.5 174.6 31.3 11.6 31.2 100 100 A N E - E 0 148B 2 48,-3.3 48,-2.0 -2,-0.3 2,-0.4 -0.961 9.3-162.7-133.5 143.3 27.9 12.6 32.6 101 101 A V E -DE 32 147B 0 -69,-2.6 -69,-3.6 -2,-0.4 2,-0.4 -0.995 4.9-175.7-131.5 127.9 25.1 10.8 34.2 102 102 A W E +DE 31 146B 0 44,-3.2 44,-2.7 -2,-0.4 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