==== 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 2HA4 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,G.SULZENBACHER,E.KIM,P.TAYLOR,P.MARCHOT . 1072 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 6.3 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 . 55 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 26.7 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 3 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 . 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 . 3 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 0 165 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.5 30.4 15.0 55.7 2 2 A G + 0 0 69 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.147 360.0 51.7 125.6 -36.6 27.6 15.1 58.2 3 3 A R S S+ 0 0 256 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.467 92.1 92.2-108.0 -7.5 26.0 18.4 57.1 4 4 A E S S- 0 0 61 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.320 92.8 -79.0 -89.5 169.7 25.6 17.6 53.3 5 5 A D > - 0 0 46 1,-0.2 3,-2.4 -2,-0.1 4,-0.2 -0.574 37.8-150.0 -69.3 110.8 22.7 16.0 51.3 6 6 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.551 92.3 65.9 -62.4 -7.3 23.2 12.2 52.0 7 7 A Q T 3 S+ 0 0 83 1,-0.2 100,-0.2 12,-0.0 -2,-0.1 0.440 94.7 56.1 -96.7 1.5 21.7 11.5 48.6 8 8 A L S < S+ 0 0 17 -3,-2.4 11,-2.4 11,-0.1 2,-0.6 0.344 83.6 94.8-113.0 5.2 24.6 13.1 46.7 9 9 A L E +A 18 0A 37 -3,-0.3 2,-0.3 -4,-0.2 9,-0.2 -0.890 48.5 160.0-104.0 118.3 27.4 11.0 48.2 10 10 A V E -A 17 0A 9 7,-1.9 7,-3.1 -2,-0.6 2,-0.4 -0.986 29.5-138.8-136.5 144.2 28.4 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 -0.907 21.0 178.1-105.0 134.5 31.5 5.8 46.0 12 12 A V E > -A 15 0A 8 3,-3.2 3,-1.6 -2,-0.4 174,-0.1 -0.672 49.4 -84.2-118.8 179.8 33.1 4.5 42.8 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.813 129.2 46.1 -56.3 -36.2 36.2 2.3 42.0 14 14 A G T 3 S- 0 0 12 1,-0.2 42,-2.2 22,-0.1 2,-0.3 0.524 123.7 -90.6 -85.1 -8.7 38.5 5.4 42.2 15 15 A G E < -A 12 0A 6 -3,-1.6 -3,-3.2 40,-0.2 2,-0.3 -0.929 65.1 -10.2 140.8-159.4 37.0 6.8 45.3 16 16 A Q E -Ab 11 59A 59 42,-0.8 44,-3.0 -2,-0.3 2,-0.3 -0.576 50.1-165.9 -86.1 139.8 34.3 9.0 46.9 17 17 A L E -Ab 10 60A 2 -7,-3.1 -7,-1.9 -2,-0.3 2,-0.4 -0.933 11.8-157.5-123.6 147.5 32.2 11.5 44.9 18 18 A R E -Ab 9 61A 74 42,-2.2 44,-3.2 -2,-0.3 -9,-0.2 -0.993 21.3-177.7-122.3 121.8 29.9 14.4 45.8 19 19 A G - 0 0 4 -11,-2.4 2,-0.4 -2,-0.4 13,-0.2 -0.280 19.8-107.7-105.9-166.6 27.3 15.4 43.2 20 20 A I E -C 31 0B 58 11,-2.7 11,-2.0 42,-0.4 2,-0.7 -0.972 14.7-125.2-134.8 138.2 24.6 18.1 42.9 21 21 A R E -C 30 0B 130 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.731 36.1-167.0 -78.2 114.0 20.8 18.3 43.1 22 22 A L E -C 29 0B 30 7,-2.8 7,-2.4 -2,-0.7 2,-0.5 -0.763 17.5-120.1-102.7 154.1 19.6 20.0 39.9 23 23 A K E +C 28 0B 176 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.799 27.2 180.0 -93.2 126.1 16.1 21.3 39.1 24 24 A A E > -C 27 0B 9 3,-1.8 3,-1.7 -2,-0.5 431,-0.0 -0.858 45.5-101.9-113.3 159.3 14.1 19.9 36.2 25 25 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 430,-0.0 0.855 122.4 38.5 -47.0 -40.9 10.6 21.3 35.3 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.442 130.1 -56.6 -94.1 -2.1 8.9 18.3 37.0 27 27 A G E < S-C 24 0B 21 -3,-1.7 -3,-1.8 2,-0.0 -1,-0.2 -0.887 74.1 -37.5 150.0-177.9 11.2 17.9 40.0 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.311 42.9-167.9 -74.5 154.0 14.9 17.4 41.2 29 29 A V E -CD 22 104B 0 -7,-2.4 -7,-2.8 75,-0.2 2,-0.4 -0.940 22.3-117.9-131.4 160.7 17.5 15.2 39.6 30 30 A S E -CD 21 103B 0 73,-2.9 73,-2.2 -2,-0.3 2,-0.4 -0.830 30.6-172.5 -96.4 131.7 21.0 13.9 40.8 31 31 A A E -CD 20 102B 0 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.5 -0.987 16.9-172.9-128.0 138.5 24.0 15.0 38.7 32 32 A F E - D 0 101B 0 69,-2.7 69,-1.9 -2,-0.4 3,-0.4 -0.907 22.8-176.0-126.4 97.4 27.6 13.9 39.0 33 33 A L E + 0 0 10 29,-2.9 31,-0.5 -2,-0.5 67,-0.2 -0.724 54.4 16.2-105.6 147.2 29.7 16.0 36.6 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.866 68.6 168.8 63.3 41.6 33.4 15.9 35.7 35 35 A I E - D 0 99B 0 64,-2.6 64,-2.7 -3,-0.4 -1,-0.2 -0.741 33.5-129.5 -79.7 122.8 34.1 12.4 37.0 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.536 31.9 172.9 -76.7 140.0 37.6 11.5 35.7 37 37 A F + 0 0 5 60,-1.8 16,-0.8 -2,-0.2 2,-0.3 0.382 63.0 33.4-124.8 0.9 37.9 8.1 34.0 38 38 A A B S-N 52 0C 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.970 89.0 -91.8-146.0 159.0 41.5 8.2 32.6 39 39 A E - 0 0 22 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.559 66.2 -86.7 -64.0 136.4 44.9 9.6 33.5 40 40 A P - 0 0 31 0, 0.0 2,-2.3 0, 0.0 55,-0.2 -0.258 37.7-132.2 -48.3 122.6 45.2 13.0 31.9 41 41 A P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.248 61.2 133.2 -78.6 58.0 46.4 12.3 28.3 42 42 A V > - 0 0 62 -2,-2.3 3,-1.7 3,-0.1 2,-0.3 -0.649 54.8 -8.2-110.9 159.1 49.1 15.0 28.6 43 43 A G G > S+ 0 0 47 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.440 136.6 9.4 66.3-119.6 52.8 15.3 27.9 44 44 A S G 3 S+ 0 0 81 -2,-0.3 -1,-0.3 1,-0.3 225,-0.1 0.567 127.6 64.5 -70.2 -8.5 54.3 11.9 27.0 45 45 A R G X S+ 0 0 66 -3,-1.7 3,-1.7 -5,-0.1 -1,-0.3 0.500 70.3 119.0 -96.1 -7.1 50.7 10.5 26.8 46 46 A R T < S+ 0 0 12 -3,-1.5 -4,-0.1 1,-0.3 111,-0.1 -0.409 86.2 11.5 -60.7 134.6 49.6 12.7 23.9 47 47 A F T 3 S+ 0 0 2 109,-0.6 122,-0.4 1,-0.3 -1,-0.3 0.215 107.7 117.3 77.4 -11.8 48.5 10.4 20.9 48 48 A M S < S- 0 0 63 -3,-1.7 -1,-0.3 119,-0.1 3,-0.1 -0.539 76.4 -94.6 -86.7 150.4 48.7 7.4 23.3 49 49 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.210 54.9 -93.6 -51.4 151.8 45.8 5.1 24.3 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.455 31.4-144.5 -73.9 144.7 44.1 6.2 27.6 51 51 A E - 0 0 95 -12,-0.4 -12,-2.8 -2,-0.1 3,-0.1 -0.898 33.1 -99.3-101.3 139.7 45.2 4.7 30.9 52 52 A P B -N 38 0C 90 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.254 48.4 -93.1 -60.4 143.6 42.5 4.1 33.5 53 53 A K - 0 0 67 -16,-0.8 -14,-0.1 1,-0.1 3,-0.1 -0.315 36.8-126.2 -58.9 132.6 42.3 6.8 36.2 54 54 A R - 0 0 154 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.588 39.1 -90.7 -79.4 141.3 44.3 6.0 39.4 55 55 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.180 41.3-144.5 -56.1 143.0 42.3 6.2 42.6 56 56 A W - 0 0 50 -42,-2.2 2,-0.4 2,-0.1 -40,-0.2 -0.648 11.7-118.1-102.5 162.9 42.1 9.6 44.5 57 57 A S S S+ 0 0 120 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.810 72.5 0.8-100.7 144.1 42.0 10.3 48.2 58 58 A G S S- 0 0 48 -2,-0.4 -42,-0.8 2,-0.1 2,-0.7 -0.270 107.7 -29.8 79.7-165.2 39.1 12.1 49.8 59 59 A V E -b 16 0A 55 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.795 55.5-144.6 -98.6 115.3 35.8 13.3 48.3 60 60 A L E -b 17 0A 41 -44,-3.0 -42,-2.2 -2,-0.7 2,-0.5 -0.642 19.6-125.1 -76.9 123.8 36.0 14.4 44.6 61 61 A D E +b 18 0A 81 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.2 -0.584 31.9 174.5 -69.5 121.1 33.7 17.3 43.8 62 62 A A + 0 0 0 -44,-3.2 -29,-2.9 -2,-0.5 -42,-0.4 -0.322 45.9 106.2-122.4 47.3 31.5 16.3 40.9 63 63 A T S S+ 0 0 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.517 73.0 48.6-105.8 -8.9 29.3 19.4 40.8 64 64 A T S S- 0 0 86 -31,-0.5 -1,-0.1 -3,-0.2 -44,-0.0 -0.976 86.0-100.8-134.2 149.1 30.6 21.2 37.7 65 65 A F - 0 0 41 -2,-0.3 2,-0.1 -32,-0.1 3,-0.1 -0.305 41.7-132.6 -58.1 144.1 31.4 20.2 34.1 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.317 40.6 -54.1 -90.5-179.2 35.1 19.6 33.4 67 67 A N - 0 0 29 28,-0.3 2,-0.3 -2,-0.1 31,-0.2 -0.162 51.5-120.8 -55.2 146.5 37.4 20.9 30.6 68 68 A V E -o 92 0D 0 23,-1.9 25,-2.6 1,-0.1 3,-0.1 -0.642 39.3 -94.7 -83.4 144.5 36.5 20.4 27.0 69 69 A a E -o 93 0D 1 57,-0.3 25,-0.2 -2,-0.3 57,-0.1 -0.346 53.9 -86.7 -65.1 140.9 39.0 18.5 24.8 70 70 A Y S S+ 0 0 46 23,-0.8 83,-0.3 22,-0.1 2,-0.3 -0.206 71.7 147.8 -55.2 130.0 41.4 20.7 22.9 71 71 A Q - 0 0 4 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.996 51.5 -77.9-162.4 157.3 39.8 21.7 19.6 72 72 A Y - 0 0 72 52,-0.7 2,-0.5 -2,-0.3 206,-0.0 -0.344 44.1-141.7 -53.8 136.0 39.2 24.1 16.8 73 73 A V - 0 0 61 14,-0.1 2,-0.1 52,-0.1 14,-0.1 -0.940 20.1-113.9-113.3 122.1 36.7 26.8 17.7 74 74 A D + 0 0 20 -2,-0.5 13,-0.1 9,-0.1 9,-0.0 -0.293 38.4 166.4 -63.8 127.4 34.2 28.0 15.0 75 75 A T + 0 0 96 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.229 44.2 105.6-119.8 7.3 34.6 31.5 13.7 76 76 A L S S+ 0 0 64 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.944 97.1 16.6 -61.3 -51.3 32.3 31.5 10.6 77 77 A Y S > S- 0 0 32 3,-0.1 3,-1.7 266,-0.0 -1,-0.3 -0.754 84.1-152.9-123.4 85.4 29.5 33.6 12.2 78 78 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.374 80.7 10.8 -62.0 122.0 30.8 35.3 15.4 79 79 A G T 3 S+ 0 0 72 1,-0.3 2,-0.4 -2,-0.2 -4,-0.0 0.108 94.7 130.7 99.5 -18.7 28.0 36.0 17.9 80 80 A F X> - 0 0 28 -3,-1.7 4,-2.5 1,-0.1 3,-1.1 -0.553 51.8-150.0 -79.9 124.2 25.5 33.8 16.0 81 81 A E H 3> S+ 0 0 130 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.850 89.9 70.5 -61.7 -37.4 23.6 31.3 18.2 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.739 116.9 22.0 -53.6 -30.3 23.2 28.8 15.4 83 83 A T H X> S+ 0 0 2 -3,-1.1 3,-1.8 -6,-0.3 4,-0.6 0.716 117.1 62.6-103.5 -36.9 26.9 28.0 15.5 84 84 A E H >< S+ 0 0 77 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.803 89.7 69.4 -67.7 -24.4 27.9 29.1 19.0 85 85 A M T 3< S+ 0 0 45 -4,-2.4 47,-0.3 1,-0.3 -1,-0.3 0.681 102.0 47.8 -64.3 -16.1 25.6 26.5 20.6 86 86 A W T <4 S+ 0 0 41 -3,-1.8 -1,-0.3 -5,-0.2 40,-0.2 0.596 93.4 100.9 -98.1 -13.8 28.1 23.9 19.3 87 87 A N S << S- 0 0 16 -3,-1.0 -14,-0.1 -4,-0.6 40,-0.0 -0.275 89.6 -77.0 -70.6 153.4 31.2 25.7 20.5 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.220 36.7-169.1 -49.6 133.8 33.1 24.8 23.7 89 89 A N + 0 0 48 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.209 69.6 45.0-112.0 11.3 31.4 26.0 26.9 90 90 A R S S- 0 0 120 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.893 105.3 -63.7-137.9 172.1 34.3 25.2 29.3 91 91 A E - 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