==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-09 2WHQ . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.EKSTROM,A.HORNBERG,E.ARTURSSON,L.G.HAMMARSTROM, . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 689 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.5 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 . 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 . 55 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 27.0 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 7 2 0 7 3 0 3 5 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 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 . 3 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 4,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 164.0 30.7 14.6 55.4 2 2 A G + 0 0 66 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.153 360.0 28.0 168.4 -60.2 28.2 15.3 58.1 3 3 A R S S+ 0 0 249 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.424 93.1 113.8-105.1 -4.0 25.6 17.9 56.9 4 4 A E S S- 0 0 57 1,-0.1 5,-0.1 2,-0.1 -2,-0.0 -0.216 84.4 -86.2 -62.4 159.3 25.9 17.1 53.2 5 5 A D > - 0 0 48 1,-0.1 3,-1.7 3,-0.1 -1,-0.1 -0.582 34.2-145.3 -67.7 118.6 22.9 15.7 51.4 6 6 A P G > S+ 0 0 110 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.657 94.8 63.3 -62.9 -19.2 23.1 11.8 51.9 7 7 A Q G 3 S+ 0 0 55 1,-0.2 100,-0.2 3,-0.0 -2,-0.0 0.596 97.5 57.6 -80.1 -10.6 21.6 11.2 48.4 8 8 A L G < S+ 0 0 17 -3,-1.7 11,-2.7 11,-0.1 2,-0.6 0.312 82.4 92.8-105.2 8.1 24.6 12.8 46.7 9 9 A L E < +A 18 0A 36 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.915 48.9 161.8-109.2 122.4 27.5 10.8 48.1 10 10 A V E -A 17 0A 10 7,-2.0 7,-3.2 -2,-0.6 2,-0.4 -0.986 28.5-140.9-139.8 143.8 28.6 7.8 46.0 11 11 A R E +A 16 0A 159 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.910 20.2 179.3-107.0 135.1 31.7 5.5 45.8 12 12 A V E > -A 15 0A 8 3,-3.4 3,-1.9 -2,-0.4 174,-0.1 -0.726 50.4 -84.3-119.7 175.0 33.1 4.3 42.5 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.829 130.0 45.5 -49.6 -36.5 36.1 2.0 41.8 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.4 22,-0.1 2,-0.3 0.572 123.7 -82.4 -86.8 -10.1 38.4 5.1 41.9 15 15 A G E < -A 12 0A 6 -3,-1.9 -3,-3.4 40,-0.2 2,-0.3 -0.959 64.3 -23.9 145.3-162.4 37.0 6.6 45.0 16 16 A Q E -Ab 11 59A 60 42,-0.9 44,-2.8 -2,-0.3 2,-0.3 -0.649 47.9-165.2 -94.1 146.2 34.2 8.8 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.2 -7,-2.0 -2,-0.3 2,-0.5 -0.937 13.2-152.7-128.3 148.0 32.2 11.4 44.7 18 18 A R E -Ab 9 61A 66 42,-2.3 44,-2.9 -2,-0.3 -9,-0.2 -0.985 22.5-172.9-119.2 120.0 30.0 14.2 45.7 19 19 A G - 0 0 3 -11,-2.7 2,-0.3 -2,-0.5 13,-0.2 -0.168 17.5-113.9 -96.5-167.7 27.3 15.0 43.2 20 20 A I E -C 31 0B 56 11,-2.9 11,-2.6 42,-0.3 2,-0.6 -0.967 14.7-122.0-136.1 147.9 24.8 17.9 43.0 21 21 A R E -C 30 0B 133 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.800 34.8-164.8 -90.6 119.0 21.0 18.1 43.2 22 22 A L E -C 29 0B 26 7,-3.0 7,-2.2 -2,-0.6 2,-0.5 -0.750 17.7-121.5-105.8 155.4 19.6 19.8 40.1 23 23 A K E +C 28 0B 149 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.819 28.2 179.6 -94.9 122.4 16.2 21.2 39.4 24 24 A A E > -C 27 0B 1 3,-1.6 3,-1.9 -2,-0.5 113,-0.0 -0.854 44.5-102.5-112.4 160.7 14.2 19.8 36.5 25 25 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.870 121.7 37.0 -50.9 -45.4 10.7 21.1 35.6 26 26 A G T 3 S- 0 0 58 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.390 131.5 -52.8 -88.9 2.2 8.9 18.2 37.2 27 27 A G E < S-C 24 0B 16 -3,-1.9 -3,-1.6 2,-0.0 -1,-0.2 -0.860 74.3 -41.6 146.8 178.7 11.3 17.7 40.2 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.277 42.9-169.5 -77.2 158.0 14.9 17.2 41.3 29 29 A V E -CD 22 104B 0 -7,-2.2 -7,-3.0 75,-0.2 2,-0.5 -0.945 22.9-117.1-135.7 162.9 17.6 15.0 39.7 30 30 A S E -CD 21 103B 0 73,-3.0 73,-2.4 -2,-0.3 2,-0.4 -0.854 29.5-171.8 -99.3 133.7 21.0 13.8 40.8 31 31 A A E -CD 20 102B 0 -11,-2.6 -11,-2.9 -2,-0.5 2,-0.5 -0.990 15.9-173.1-126.9 137.2 24.0 14.9 38.7 32 32 A F E - D 0 101B 0 69,-2.8 69,-2.5 -2,-0.4 2,-0.3 -0.935 23.8-179.5-125.0 101.7 27.6 13.7 39.0 33 33 A L E +n 63 0C 10 29,-2.5 31,-0.6 -2,-0.5 67,-0.2 -0.809 52.7 21.8-111.9 144.3 29.6 15.8 36.5 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.835 69.0 168.4 73.4 34.5 33.3 15.8 35.7 35 35 A I E - D 0 99B 0 64,-2.5 64,-2.1 -3,-0.3 -1,-0.2 -0.691 34.0-129.3 -79.3 119.6 34.1 12.3 36.8 36 36 A P E + D 0 98B 3 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.485 32.4 171.6 -69.5 136.9 37.6 11.4 35.6 37 37 A F + 0 0 4 60,-1.9 16,-1.0 1,-0.2 2,-0.3 0.424 63.8 31.3-119.6 -2.3 37.7 8.0 33.8 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.967 89.4 -91.8-144.9 157.0 41.2 8.1 32.4 39 39 A E - 0 0 16 12,-3.2 12,-0.4 -2,-0.3 14,-0.1 -0.522 66.1 -86.1 -61.9 138.5 44.7 9.5 33.3 40 40 A P - 0 0 31 0, 0.0 2,-2.1 0, 0.0 55,-0.2 -0.268 38.1-135.7 -51.6 122.0 45.0 12.9 31.7 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.276 59.9 128.6 -81.6 58.6 46.2 12.2 28.1 42 42 A V > - 0 0 62 -2,-2.1 3,-2.2 3,-0.1 2,-0.1 -0.585 55.5 -1.9-113.4 166.6 48.8 15.0 28.2 43 43 A G G > S+ 0 0 48 1,-0.3 3,-1.8 2,-0.2 0, 0.0 -0.319 136.1 7.1 58.8-123.2 52.6 15.3 27.5 44 44 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.617 128.6 64.0 -69.7 -9.9 54.1 12.0 26.6 45 45 A R G X S+ 0 0 58 -3,-2.2 3,-2.1 -5,-0.1 -1,-0.3 0.524 71.2 121.4 -92.6 -5.5 50.6 10.5 26.5 46 46 A R T < S+ 0 0 14 -3,-1.8 -4,-0.1 1,-0.3 222,-0.1 -0.356 83.7 12.0 -55.5 137.2 49.4 12.6 23.6 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.4 1,-0.2 -1,-0.3 0.296 107.0 118.1 75.9 -6.4 48.2 10.4 20.7 48 48 A M S < S- 0 0 59 -3,-2.1 -1,-0.2 119,-0.1 3,-0.1 -0.581 77.0 -90.3 -93.8 153.5 48.3 7.3 22.9 49 49 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.244 57.5 -97.4 -48.8 145.2 45.5 4.9 24.0 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.413 31.8-140.0 -69.4 145.5 43.9 6.2 27.3 51 51 A E - 0 0 90 -12,-0.4 -12,-3.2 -3,-0.1 3,-0.1 -0.911 31.6 -98.7-103.2 137.9 45.0 4.7 30.6 52 52 A P B -O 38 0D 89 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.215 47.4 -98.5 -52.3 137.5 42.4 4.0 33.2 53 53 A K - 0 0 65 -16,-1.0 -14,-0.1 -15,-0.1 3,-0.1 -0.350 37.1-125.8 -60.8 138.1 42.2 6.7 35.9 54 54 A R - 0 0 143 1,-0.1 -40,-0.1 -3,-0.1 -1,-0.1 -0.673 37.6 -87.0 -89.0 144.9 44.1 5.8 39.1 55 55 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.076 43.2-150.3 -50.2 145.1 42.2 6.0 42.4 56 56 A W - 0 0 49 -42,-2.4 2,-0.3 2,-0.1 -40,-0.2 -0.723 11.2-120.2-111.4 167.1 42.1 9.3 44.2 57 57 A S + 0 0 117 -2,-0.3 2,-0.0 -42,-0.1 -42,-0.0 -0.792 69.8 11.3-108.9 153.8 41.8 10.1 47.9 58 58 A G S S- 0 0 47 -2,-0.3 -42,-0.9 2,-0.1 2,-0.7 -0.258 107.7 -37.8 78.7-169.5 39.1 12.0 49.6 59 59 A V E -b 16 0A 49 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.830 56.9-142.2 -98.1 116.0 35.8 13.1 48.1 60 60 A L E -b 17 0A 38 -44,-2.8 -42,-2.3 -2,-0.7 2,-0.6 -0.631 19.4-124.1 -75.8 127.2 36.1 14.2 44.5 61 61 A D E +b 18 0A 81 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.657 33.4 173.9 -73.5 118.1 33.8 17.1 43.8 62 62 A A + 0 0 0 -44,-2.9 -29,-2.5 -2,-0.6 -42,-0.3 -0.363 44.6 107.1-118.9 47.9 31.5 16.1 40.9 63 63 A T B S+n 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.471 73.0 45.0-108.2 -5.8 29.3 19.2 40.8 64 64 A T S S- 0 0 87 -31,-0.6 -1,-0.1 -3,-0.2 2,-0.0 -0.972 86.9 -95.6-140.1 153.3 30.5 20.9 37.7 65 65 A F - 0 0 41 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.331 41.7-131.8 -63.0 146.6 31.4 20.1 34.1 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.303 40.5 -55.8 -89.5-179.7 35.0 19.4 33.4 67 67 A N - 0 0 29 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.140 51.2-120.9 -52.0 147.4 37.3 20.8 30.6 68 68 A V E -p 92 0E 0 23,-2.3 25,-2.6 -3,-0.1 3,-0.1 -0.699 37.1 -98.1 -86.1 142.3 36.4 20.3 26.9 69 69 A a E -p 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.396 53.5 -86.6 -64.8 139.7 38.9 18.4 24.7 70 70 A Y + 0 0 49 23,-0.8 83,-0.3 -2,-0.1 2,-0.3 -0.129 69.9 148.5 -51.3 130.9 41.1 20.7 22.8 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.998 50.6 -81.6-163.2 157.8 39.4 21.7 19.5 72 72 A Y - 0 0 110 52,-0.7 2,-0.5 -2,-0.3 205,-0.0 -0.423 44.3-138.7 -63.1 138.4 38.8 24.2 16.7 73 73 A V - 0 0 56 -2,-0.1 2,-0.4 14,-0.1 14,-0.1 -0.911 15.2-119.2-111.1 129.7 36.2 26.8 17.5 74 74 A D + 0 0 28 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.502 38.1 163.7 -73.7 120.5 33.6 27.9 15.0 75 75 A T + 0 0 94 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.167 38.2 111.1-123.2 17.7 33.8 31.6 14.1 76 76 A L S S+ 0 0 75 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.916 93.0 21.8 -59.9 -47.3 31.8 31.9 10.9 77 77 A Y S > S- 0 0 35 3,-0.1 3,-1.6 -3,-0.1 6,-0.3 -0.767 87.5-144.6-127.1 87.2 28.9 33.8 12.5 78 78 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.244 79.7 0.6 -52.3 120.5 30.1 35.6 15.8 79 79 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.1 -4,-0.0 0.376 92.9 135.6 84.7 -5.4 27.5 35.7 18.5 80 80 A F X> - 0 0 27 -3,-1.6 4,-2.6 1,-0.1 3,-1.1 -0.653 53.7-142.5 -81.3 124.2 24.9 33.9 16.5 81 81 A E H 3> S+ 0 0 119 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.811 94.6 68.3 -55.8 -31.7 23.1 31.2 18.6 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.812 115.9 24.5 -65.6 -32.1 22.9 28.8 15.6 83 83 A T H X4 S+ 0 0 0 -3,-1.1 3,-1.2 -6,-0.3 4,-0.5 0.762 118.5 60.0 -95.0 -36.1 26.7 28.3 15.7 84 84 A E H >< S+ 0 0 73 -4,-2.6 3,-1.8 1,-0.3 -3,-0.2 0.866 91.3 66.6 -66.3 -37.5 27.4 29.2 19.3 85 85 A M T 3< S+ 0 0 32 -4,-2.2 47,-0.3 1,-0.3 -1,-0.3 0.701 104.1 47.7 -58.1 -19.2 25.3 26.5 20.9 86 86 A W T < S+ 0 0 59 -3,-1.2 -1,-0.3 -5,-0.2 40,-0.2 0.575 93.3 101.2 -94.7 -11.8 27.7 23.9 19.4 87 87 A N S < S- 0 0 19 -3,-1.8 -14,-0.1 -4,-0.5 40,-0.0 -0.336 89.2 -81.0 -75.4 153.8 30.9 25.7 20.6 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.233 37.7-170.5 -50.1 136.4 32.9 24.7 23.7 89 89 A N + 0 0 53 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.180 68.0 47.9-118.5 13.8 31.3 26.0 26.9 90 90 A R S S- 0 0 115 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.899 106.2 -63.8-139.6 171.2 34.1 25.1 29.3 91 91 A E - 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