==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-06 2HA0 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,G.SULZENBACHER,E.KIM,P.TAYLOR,P.MARCHOT . 1071 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 64.1 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 . 66 6.2 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 . 4 0.4 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 . 59 5.5 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 . 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 1 5 5 1 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 . 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 . 4 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 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 3 A R 0 0 307 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.3 25.7 17.9 57.2 2 4 A E - 0 0 91 1,-0.1 5,-0.1 2,-0.0 4,-0.0 -0.693 360.0 -62.1-115.5 170.1 25.2 17.8 53.4 3 5 A D > - 0 0 46 -2,-0.2 3,-1.8 1,-0.2 4,-0.1 -0.294 43.0-159.0 -58.7 111.2 22.6 16.1 51.1 4 6 A P G > S+ 0 0 102 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.708 87.1 65.7 -66.3 -18.4 23.0 12.4 51.9 5 7 A Q G 3 S+ 0 0 89 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.421 96.0 57.3 -86.6 3.0 21.3 11.5 48.6 6 8 A L G < S+ 0 0 14 -3,-1.8 11,-2.5 11,-0.1 2,-0.5 0.239 82.3 96.5-115.3 11.2 24.2 13.1 46.5 7 9 A L E < +A 16 0A 71 -3,-0.9 2,-0.3 9,-0.2 9,-0.2 -0.918 46.4 161.1-112.3 124.5 27.2 11.0 47.9 8 10 A V E -A 15 0A 11 7,-1.8 7,-3.4 -2,-0.5 2,-0.4 -0.983 28.5-139.2-145.3 145.0 28.3 8.0 45.9 9 11 A R E +A 14 0A 154 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.920 20.6 176.9-110.0 136.2 31.4 5.8 45.6 10 12 A V E > -A 13 0A 7 3,-2.8 3,-2.1 -2,-0.4 174,-0.1 -0.726 52.2 -80.8-122.4 177.2 32.9 4.4 42.4 11 13 A R T 3 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.826 130.5 47.1 -48.0 -38.4 36.0 2.3 41.7 12 14 A G T 3 S- 0 0 10 1,-0.2 42,-2.6 22,-0.1 2,-0.3 0.559 122.5 -88.1 -84.2 -11.6 38.2 5.5 41.9 13 15 A G E < -A 10 0A 6 -3,-2.1 -3,-2.8 40,-0.2 -1,-0.2 -0.914 64.6 -17.8 139.3-164.4 36.7 6.8 45.1 14 16 A Q E -Ab 9 57A 83 42,-0.8 44,-2.7 -2,-0.3 2,-0.3 -0.558 50.3-166.8 -85.8 142.6 34.0 9.0 46.6 15 17 A L E -Ab 8 58A 1 -7,-3.4 -7,-1.8 42,-0.2 2,-0.4 -0.912 13.3-153.5-124.1 151.9 32.0 11.6 44.6 16 18 A R E -Ab 7 59A 71 42,-2.2 44,-3.0 -2,-0.3 -9,-0.2 -0.987 21.1-174.0-123.6 118.2 29.6 14.4 45.5 17 19 A G - 0 0 4 -11,-2.5 2,-0.3 -2,-0.4 13,-0.2 -0.183 19.2-112.3 -94.5-167.9 27.0 15.4 42.9 18 20 A I E -C 29 0B 58 11,-2.5 11,-2.2 42,-0.4 2,-0.7 -0.975 15.4-122.8-134.1 144.1 24.4 18.2 42.7 19 21 A R E -C 28 0B 141 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.787 35.2-166.9 -86.2 115.3 20.6 18.3 42.9 20 22 A L E -C 27 0B 29 7,-2.5 7,-2.3 -2,-0.7 2,-0.5 -0.772 19.6-117.6-105.0 149.6 19.4 20.0 39.6 21 23 A K E -C 26 0B 171 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.767 28.6-179.1 -87.3 122.8 15.9 21.3 39.0 22 24 A A E > -C 25 0B 2 3,-1.9 3,-1.8 -2,-0.5 113,-0.0 -0.863 42.6-107.2-108.8 155.7 13.9 19.7 36.1 23 25 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.813 119.3 40.1 -55.9 -34.0 10.4 21.1 35.4 24 26 A G T 3 S- 0 0 58 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.432 132.5 -52.3 -91.6 -0.9 8.6 18.1 36.9 25 27 A G E < S-C 22 0B 18 -3,-1.8 -3,-1.9 2,-0.0 -1,-0.3 -0.887 74.4 -44.8 153.4 178.3 11.0 17.7 39.8 26 28 A P E -C 21 0B 40 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.314 42.6-167.6 -73.7 157.0 14.6 17.3 41.0 27 29 A V E -CD 20 102B 0 -7,-2.3 -7,-2.5 75,-0.2 2,-0.4 -0.935 22.1-117.0-134.0 161.4 17.3 15.1 39.4 28 30 A S E -CD 19 101B 0 73,-3.0 73,-2.2 -2,-0.3 2,-0.4 -0.855 28.3-168.9 -98.2 137.2 20.8 14.0 40.5 29 31 A A E -CD 18 100B 0 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.5 -0.988 14.9-173.4-128.8 130.5 23.8 15.1 38.4 30 32 A F E + D 0 99B 0 69,-3.4 69,-2.6 -2,-0.4 2,-0.3 -0.912 24.2 178.5-121.4 100.0 27.4 13.8 38.7 31 33 A L E +n 61 0C 8 29,-2.4 31,-0.5 -2,-0.5 67,-0.2 -0.816 52.3 21.3-113.2 140.1 29.4 16.0 36.3 32 34 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.768 69.6 165.8 76.6 31.3 33.1 16.0 35.6 33 35 A I E - D 0 97B 0 64,-2.5 64,-2.8 -3,-0.3 2,-0.3 -0.653 34.3-130.4 -79.0 121.8 33.9 12.4 36.8 34 36 A P E + D 0 96B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.540 30.5 173.1 -76.5 135.4 37.4 11.4 35.5 35 37 A F + 0 0 5 60,-1.7 16,-0.8 -2,-0.3 2,-0.3 0.428 64.3 30.5-117.3 -1.9 37.6 8.1 33.8 36 38 A A B S-O 50 0D 3 59,-0.9 15,-0.1 14,-0.3 -1,-0.1 -0.962 88.6 -90.1-146.2 160.6 41.2 8.2 32.5 37 39 A E - 0 0 21 12,-2.5 12,-0.4 -2,-0.3 14,-0.1 -0.542 66.5 -84.7 -64.2 138.3 44.6 9.6 33.4 38 40 A P - 0 0 29 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.264 37.1-136.0 -46.7 120.6 45.0 13.0 31.7 39 41 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.247 61.1 128.8 -78.8 54.9 46.2 12.3 28.2 40 42 A V > - 0 0 60 -2,-2.0 3,-2.1 3,-0.1 2,-0.2 -0.608 57.0 -5.3-113.1 160.5 48.7 15.1 28.4 41 43 A G G > S+ 0 0 46 1,-0.3 3,-1.8 -2,-0.2 0, 0.0 -0.367 135.8 7.4 65.8-124.8 52.5 15.4 27.7 42 44 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -2,-0.2 225,-0.1 0.630 128.2 63.7 -67.0 -14.4 54.0 12.0 26.9 43 45 A R G X S+ 0 0 60 -3,-2.1 3,-2.2 -5,-0.1 -1,-0.3 0.571 72.3 122.2 -88.7 -7.6 50.5 10.5 26.8 44 46 A R T < S+ 0 0 14 -3,-1.8 -4,-0.1 1,-0.3 223,-0.1 -0.299 84.6 8.7 -55.9 136.3 49.4 12.7 23.8 45 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.320 107.9 116.9 69.6 -3.2 48.3 10.4 20.9 46 48 A M S < S- 0 0 39 -3,-2.2 -1,-0.2 119,-0.1 3,-0.1 -0.577 76.9 -90.5 -93.3 154.1 48.5 7.3 23.2 47 49 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.224 55.0 -94.9 -54.0 152.1 45.6 5.1 24.2 48 50 A P - 0 0 25 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.419 32.7-146.2 -71.8 145.3 43.9 6.2 27.5 49 51 A E - 0 0 83 -12,-0.4 -12,-2.5 -2,-0.1 3,-0.1 -0.899 32.2 -96.0-105.7 146.2 45.0 4.6 30.8 50 52 A P B -O 36 0D 91 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.212 49.3 -93.6 -61.9 149.1 42.4 4.1 33.5 51 53 A K - 0 0 62 -16,-0.8 -14,-0.1 -15,-0.1 3,-0.1 -0.414 35.8-123.6 -65.2 131.6 42.1 6.8 36.1 52 54 A R - 0 0 148 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.604 40.4 -95.4 -72.2 136.1 44.2 6.2 39.3 53 55 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.125 40.4-141.3 -52.8 146.4 42.0 6.3 42.4 54 56 A W - 0 0 49 -42,-2.6 2,-0.3 2,-0.1 -40,-0.2 -0.737 9.5-119.5-110.8 160.0 41.8 9.6 44.3 55 57 A S S S+ 0 0 120 -2,-0.3 -42,-0.0 -42,-0.1 2,-0.0 -0.755 73.0 2.2 -99.2 145.8 41.7 10.4 48.0 56 58 A G S S- 0 0 45 -2,-0.3 -42,-0.8 2,-0.1 2,-0.5 -0.249 107.2 -34.0 77.7-166.5 38.7 12.1 49.6 57 59 A V E -b 14 0A 62 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.821 54.9-142.8 -99.5 121.0 35.5 13.3 48.0 58 60 A L E -b 15 0A 39 -44,-2.7 -42,-2.2 -2,-0.5 2,-0.6 -0.688 19.4-123.8 -81.8 128.5 35.7 14.5 44.4 59 61 A D E +b 16 0A 77 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.648 32.4 174.4 -73.6 117.0 33.4 17.4 43.6 60 62 A A + 0 0 0 -44,-3.0 -29,-2.4 -2,-0.6 -42,-0.4 -0.375 46.0 107.2-117.1 50.4 31.2 16.4 40.7 61 63 A T B S+n 31 0C 35 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.1 0.572 73.2 44.1-106.1 -13.1 29.0 19.5 40.6 62 64 A T S S- 0 0 92 -31,-0.5 2,-0.1 -3,-0.2 -1,-0.1 -0.941 86.9 -98.6-133.5 153.2 30.3 21.2 37.4 63 65 A F - 0 0 40 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.389 41.1-131.2 -64.3 145.7 31.2 20.2 33.9 64 66 A Q - 0 0 66 1,-0.2 -1,-0.1 30,-0.1 63,-0.1 -0.197 40.7 -54.5 -90.9-177.1 34.9 19.7 33.2 65 67 A N - 0 0 28 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.211 52.2-118.1 -57.1 150.4 37.1 21.0 30.4 66 68 A V E -p 90 0E 0 23,-2.4 25,-2.4 -3,-0.1 3,-0.1 -0.678 38.9 -96.5 -86.2 140.4 36.3 20.4 26.7 67 69 A a E -p 91 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.319 55.5 -86.6 -59.5 140.7 38.7 18.4 24.7 68 70 A Y S S+ 0 0 47 23,-0.7 83,-0.3 22,-0.1 2,-0.3 -0.272 71.5 152.2 -59.0 127.1 41.1 20.7 22.8 69 71 A Q - 0 0 4 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.987 50.2 -82.0-155.1 160.3 39.5 21.6 19.5 70 72 A Y - 0 0 63 52,-0.7 2,-0.5 -2,-0.3 206,-0.0 -0.447 43.3-142.4 -58.8 131.8 38.9 24.0 16.6 71 73 A V - 0 0 59 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.915 20.6-113.7-105.8 129.2 36.4 26.7 17.4 72 74 A D + 0 0 17 -2,-0.5 13,-0.1 9,-0.1 9,-0.0 -0.367 36.0 170.7 -68.6 131.3 33.9 27.8 14.7 73 75 A T + 0 0 97 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.278 45.2 107.5-121.2 5.7 34.3 31.3 13.4 74 76 A L S S+ 0 0 60 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.935 96.8 12.2 -53.1 -57.7 31.9 31.3 10.4 75 77 A Y S > S- 0 0 30 3,-0.1 3,-1.8 266,-0.0 -1,-0.3 -0.769 83.3-151.4-126.5 83.7 29.2 33.5 12.0 76 78 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.311 80.9 11.4 -59.0 132.4 30.5 35.1 15.2 77 79 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 2,-0.1 3,-0.0 0.251 94.0 130.1 87.7 -10.9 27.7 35.8 17.8 78 80 A F X> - 0 0 28 -3,-1.8 4,-2.7 1,-0.1 3,-1.1 -0.660 54.2-146.3 -86.2 125.9 25.2 33.7 15.9 79 81 A E H 3> S+ 0 0 132 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.798 92.2 66.7 -62.2 -32.2 23.4 31.2 18.0 80 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.782 117.0 25.8 -62.1 -30.3 23.0 28.6 15.3 81 83 A T H X4 S+ 0 0 2 -3,-1.1 3,-1.9 -6,-0.3 4,-0.5 0.815 119.0 57.8 -94.9 -41.9 26.8 28.1 15.2 82 84 A E H >< S+ 0 0 77 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.777 91.3 69.9 -67.2 -27.4 27.6 29.1 18.8 83 85 A M T 3< S+ 0 0 47 -4,-2.3 47,-0.3 1,-0.2 -1,-0.3 0.691 103.4 45.1 -62.9 -16.7 25.3 26.6 20.4 84 86 A W T < S+ 0 0 41 -3,-1.9 -1,-0.2 -5,-0.1 40,-0.2 0.479 93.8 101.5-101.9 -8.9 27.8 23.8 19.2 85 87 A N S < S- 0 0 17 -3,-1.1 -14,-0.1 -4,-0.5 40,-0.1 -0.337 89.8 -76.4 -72.2 158.4 30.9 25.7 20.3 86 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.272 37.8-170.6 -56.6 136.5 32.8 24.8 23.5 87 89 A N + 0 0 47 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.176 69.2 46.3-116.2 12.1 31.2 26.1 26.7 88 90 A R S S- 0 0 116 1,-0.0 -22,-0.1 40,-0.0 -23,-0.1 -0.918 105.2 -65.3-138.2 169.8 34.0 25.3 29.1 89 91 A E - 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