==== 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 28-SEP-09 2WU3 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.HORNBERG,E.ARTURSSON,R.WARME,Y.-P.PANG,F.EKSTROM . 1072 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.4 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 . 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 . 61 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.2 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 . 16 1.5 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 1 4 4 0 4 4 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 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 . 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 1 A E 0 0 166 0, 0.0 4,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 170.6 30.3 14.9 55.2 2 2 A G + 0 0 66 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.264 360.0 44.8 146.1 -45.7 27.6 15.0 57.9 3 3 A R S S+ 0 0 237 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.607 93.8 103.6-100.5 -19.8 25.7 18.1 57.0 4 4 A E S S- 0 0 72 1,-0.1 5,-0.0 2,-0.1 3,-0.0 0.245 88.7 -85.2 -46.1 177.5 25.6 17.2 53.2 5 5 A D > - 0 0 46 1,-0.1 3,-2.0 -4,-0.0 4,-0.2 -0.881 34.3-145.2 -94.2 117.5 22.5 15.8 51.5 6 6 A P G > S+ 0 0 115 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.706 93.7 60.8 -58.9 -21.0 22.5 12.0 52.1 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.2 99,-0.0 -3,-0.0 0.463 97.9 58.6 -89.3 3.2 21.0 11.3 48.6 8 8 A L G < S+ 0 0 15 -3,-2.0 11,-2.9 11,-0.1 2,-0.6 0.395 80.9 93.3-111.8 2.4 23.9 12.8 46.7 9 9 A L E < +A 18 0A 36 -3,-0.6 2,-0.3 -4,-0.2 9,-0.2 -0.871 47.4 165.0-105.4 123.9 26.9 10.8 47.9 10 10 A V E -A 17 0A 11 7,-2.1 7,-3.3 -2,-0.6 2,-0.4 -0.965 27.3-137.7-133.6 148.3 28.0 7.7 45.9 11 11 A R E -A 16 0A 156 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.902 21.5-179.6-103.6 139.1 31.1 5.5 45.8 12 12 A V E > -A 15 0A 5 3,-3.1 3,-2.0 -2,-0.4 174,-0.1 -0.834 49.4 -88.9-125.7 171.3 32.6 4.3 42.5 13 13 A R T 3 S+ 0 0 157 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.748 128.7 50.7 -53.4 -26.4 35.6 2.1 41.9 14 14 A G T 3 S- 0 0 12 1,-0.3 42,-1.8 41,-0.1 2,-0.3 0.745 122.0 -94.1 -80.9 -25.9 37.8 5.2 41.9 15 15 A G E < -A 12 0A 6 -3,-2.0 -3,-3.1 40,-0.2 2,-0.3 -0.995 66.2 -8.2 144.9-153.3 36.5 6.5 45.2 16 16 A Q E -Ab 11 59A 54 42,-1.1 44,-3.7 -2,-0.3 2,-0.4 -0.624 48.6-166.7 -92.8 139.3 33.9 8.9 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.3 -7,-2.1 -2,-0.3 2,-0.6 -0.950 12.7-158.9-122.7 139.8 31.6 11.3 44.7 18 18 A R E -Ab 9 61A 61 42,-2.4 44,-2.8 -2,-0.4 -9,-0.2 -0.958 23.5-173.7-111.5 112.9 29.5 14.2 45.7 19 19 A G - 0 0 4 -11,-2.9 2,-0.4 -2,-0.6 13,-0.2 -0.160 18.2-109.2 -90.3-168.9 26.8 15.0 43.1 20 20 A I E -C 31 0B 53 11,-3.3 11,-2.8 42,-0.4 2,-1.2 -0.964 12.4-125.9-134.2 141.4 24.2 17.7 42.8 21 21 A R E -C 30 0B 129 -2,-0.4 9,-0.2 9,-0.2 2,-0.2 -0.697 36.5-167.1 -87.7 94.1 20.4 18.0 43.1 22 22 A L E -C 29 0B 28 7,-1.9 7,-3.2 -2,-1.2 2,-0.5 -0.544 17.0-124.3 -84.1 148.9 19.3 19.7 39.9 23 23 A K E -C 28 0B 155 5,-0.2 113,-0.1 -2,-0.2 -1,-0.0 -0.777 26.3-178.3 -91.9 122.7 15.9 21.1 39.2 24 24 A A E > -C 27 0B 4 3,-2.4 3,-1.9 -2,-0.5 113,-0.0 -0.830 45.3 -99.3-109.0 160.1 13.9 19.9 36.2 25 25 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.820 123.8 35.3 -45.0 -40.7 10.4 21.2 35.2 26 26 A G T 3 S- 0 0 55 1,-0.3 -3,-0.0 111,-0.1 111,-0.0 0.407 130.6 -51.2 -99.8 2.2 8.7 18.3 36.9 27 27 A G E < S-C 24 0B 20 -3,-1.9 -3,-2.4 2,-0.0 -1,-0.3 -0.906 74.0 -41.7 149.9-179.0 11.0 17.7 39.9 28 28 A P E -C 23 0B 36 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.433 41.6-165.0 -81.3 148.6 14.6 17.2 41.1 29 29 A V E -CD 22 104B 0 -7,-3.2 -7,-1.9 75,-0.2 2,-0.5 -0.921 22.8-119.3-122.8 158.3 17.2 15.0 39.4 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.2 -2,-0.3 2,-0.4 -0.827 32.2-170.7 -88.5 126.3 20.6 13.7 40.7 31 31 A A E -CD 20 102B 0 -11,-2.8 -11,-3.3 -2,-0.5 2,-0.5 -0.980 15.7-174.0-119.5 137.2 23.5 14.9 38.6 32 32 A F E - D 0 101B 0 69,-2.9 69,-2.1 -2,-0.4 3,-0.4 -0.899 22.4-175.8-123.4 97.5 27.1 13.6 38.9 33 33 A L E +n 63 0C 10 29,-3.1 31,-0.6 -2,-0.5 67,-0.2 -0.752 52.3 15.1-108.2 146.0 29.1 15.8 36.6 34 34 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.879 68.1 169.6 63.4 42.0 32.8 15.7 35.7 35 35 A I E - D 0 99B 0 64,-2.6 64,-2.8 -3,-0.4 -1,-0.2 -0.754 32.1-130.8 -81.4 118.7 33.7 12.2 36.9 36 36 A P E + D 0 98B 8 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.463 30.7 173.2 -72.5 141.6 37.1 11.2 35.6 37 37 A F + 0 0 5 60,-1.6 16,-0.9 1,-0.2 2,-0.3 0.362 62.6 30.3-128.2 -2.6 37.3 7.8 33.9 38 38 A A B S-O 52 0D 2 59,-0.8 -1,-0.2 14,-0.3 15,-0.1 -0.955 89.7 -89.3-144.6 163.8 40.9 7.9 32.5 39 39 A E - 0 0 18 12,-3.6 12,-0.3 -2,-0.3 14,-0.1 -0.526 64.2 -85.7 -66.7 142.8 44.2 9.3 33.3 40 40 A P - 0 0 30 0, 0.0 2,-3.0 0, 0.0 55,-0.2 -0.336 37.8-136.5 -49.5 116.1 44.7 12.7 31.7 41 41 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.228 59.9 132.7 -77.1 59.8 45.9 11.8 28.2 42 42 A V > - 0 0 60 -2,-3.0 3,-3.0 3,-0.1 4,-0.1 -0.527 54.5 -6.8-108.5 172.0 48.5 14.6 28.5 43 43 A G G > S+ 0 0 45 1,-0.3 3,-2.2 2,-0.2 0, 0.0 -0.197 137.4 8.1 49.5-125.9 52.3 15.0 27.8 44 44 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.1 224,-0.0 0.635 129.6 62.9 -58.8 -14.3 53.8 11.6 27.0 45 45 A R G X S+ 0 0 54 -3,-3.0 3,-1.6 -5,-0.1 -1,-0.3 0.539 72.5 120.9 -90.9 -6.5 50.2 10.2 26.9 46 46 A R T < S+ 0 0 12 -3,-2.2 -4,-0.1 1,-0.3 111,-0.1 -0.364 85.5 8.8 -58.2 135.8 49.1 12.4 23.9 47 47 A F T 3 S+ 0 0 2 109,-0.6 122,-0.4 1,-0.3 -1,-0.3 0.200 107.4 117.4 75.8 -15.6 47.9 10.2 21.0 48 48 A M S < S- 0 0 37 -3,-1.6 -1,-0.3 119,-0.1 3,-0.1 -0.485 77.7 -90.7 -82.0 152.8 48.2 7.1 23.3 49 49 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.345 56.4 -93.0 -57.2 139.6 45.2 4.9 24.3 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.310 33.6-144.2 -59.7 134.9 43.6 6.0 27.5 51 51 A E - 0 0 90 -12,-0.3 -12,-3.6 -3,-0.1 3,-0.1 -0.878 33.3 -97.8 -95.0 136.3 44.8 4.4 30.7 52 52 A P B -O 38 0D 88 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.140 48.2 -90.2 -51.9 145.7 42.1 3.8 33.4 53 53 A K - 0 0 65 -16,-0.9 3,-0.1 -15,-0.1 -14,-0.1 -0.417 37.5-128.1 -68.0 121.2 41.7 6.4 36.1 54 54 A R - 0 0 148 -2,-0.3 -1,-0.1 -3,-0.1 -40,-0.1 -0.441 38.6 -94.7 -65.4 139.4 43.9 5.8 39.2 55 55 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.246 42.8-149.7 -58.0 144.6 41.8 5.9 42.4 56 56 A W - 0 0 54 -42,-1.8 2,-0.4 2,-0.1 -40,-0.2 -0.551 12.4-108.7-110.2 175.9 41.7 9.2 44.3 57 57 A S - 0 0 117 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.1 -0.863 69.9 -3.8-113.9 143.7 41.3 10.1 48.0 58 58 A G S S- 0 0 45 -2,-0.4 -42,-1.1 2,-0.1 2,-0.7 -0.318 107.0 -28.3 80.4-165.2 38.4 11.7 49.7 59 59 A V E -b 16 0A 47 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.796 58.1-146.2 -96.6 112.7 35.2 12.9 48.2 60 60 A L E -b 17 0A 35 -44,-3.7 -42,-2.4 -2,-0.7 2,-0.5 -0.638 19.9-124.7 -75.5 126.0 35.6 14.0 44.6 61 61 A D E +b 18 0A 77 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.629 32.4 174.5 -76.7 122.8 33.3 17.0 43.9 62 62 A A + 0 0 0 -44,-2.8 -29,-3.1 -2,-0.5 -42,-0.4 -0.353 43.3 108.4-122.3 48.4 31.1 16.1 40.9 63 63 A T B S+n 33 0C 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.495 72.6 49.1-106.6 -5.2 28.7 19.1 40.8 64 64 A T S S- 0 0 75 -31,-0.6 2,-0.2 -3,-0.2 -1,-0.0 -0.930 87.4 -97.5-135.3 157.3 30.1 20.8 37.6 65 65 A F - 0 0 39 -2,-0.3 3,-0.1 -32,-0.1 -32,-0.1 -0.518 41.4-135.2 -72.3 141.3 30.9 20.0 34.1 66 66 A Q - 0 0 60 1,-0.2 63,-0.1 -2,-0.2 -32,-0.1 -0.172 40.5 -52.5 -82.4-177.1 34.6 19.3 33.5 67 67 A N - 0 0 28 28,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.012 49.9-119.1 -56.7 156.3 36.9 20.5 30.7 68 68 A V E -p 92 0E 0 23,-2.7 25,-2.2 -3,-0.1 3,-0.1 -0.843 37.7 -98.8 -96.1 138.8 36.2 20.2 27.0 69 69 A a E -p 93 0E 1 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.272 53.8 -86.1 -56.0 134.8 38.6 18.2 24.9 70 70 A Y S S+ 0 0 54 23,-0.8 2,-0.3 22,-0.1 83,-0.2 -0.146 71.9 152.9 -49.6 125.2 41.0 20.4 23.0 71 71 A Q - 0 0 6 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.980 49.3 -90.3-157.4 160.8 39.3 21.4 19.7 72 72 A Y - 0 0 57 52,-0.9 2,-0.5 -2,-0.3 52,-0.0 -0.533 40.0-141.4 -72.5 138.1 38.8 23.8 16.9 73 73 A V - 0 0 56 -2,-0.2 2,-0.3 14,-0.1 14,-0.1 -0.918 14.6-124.1-108.5 129.6 36.1 26.4 17.5 74 74 A D + 0 0 22 -2,-0.5 3,-0.1 9,-0.1 13,-0.1 -0.505 30.5 171.8 -80.9 131.1 33.8 27.5 14.7 75 75 A T + 0 0 95 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.303 39.7 114.7-132.0 45.5 33.7 31.2 13.9 76 76 A L S S+ 0 0 68 1,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.922 92.4 23.7 -81.3 -48.8 31.6 31.4 10.7 77 77 A Y S > S- 0 0 34 3,-0.1 3,-1.5 -3,-0.1 2,-0.5 -0.764 86.9-151.8-117.2 83.9 28.8 33.3 12.3 78 78 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.399 81.4 4.0 -61.9 106.6 30.3 35.1 15.4 79 79 A G T 3 S+ 0 0 61 -2,-0.5 2,-0.3 1,-0.3 -4,-0.0 0.083 93.4 133.7 108.3 -20.1 27.6 35.5 18.0 80 80 A F X> - 0 0 32 -3,-1.5 4,-2.6 1,-0.1 3,-1.3 -0.469 52.9-143.9 -67.8 126.1 24.9 33.7 16.1 81 81 A E H 3> S+ 0 0 122 1,-0.3 4,-1.6 -2,-0.3 5,-0.2 0.781 94.7 68.8 -64.4 -29.1 23.0 31.2 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.792 116.4 24.5 -61.5 -29.2 22.6 28.7 15.5 83 83 A T H X> S+ 0 0 3 -3,-1.3 3,-1.4 -6,-0.3 4,-0.6 0.778 116.1 61.5-102.7 -36.6 26.4 28.0 15.6 84 84 A E H >< S+ 0 0 71 -4,-2.6 3,-0.5 1,-0.3 -3,-0.2 0.750 90.5 70.0 -59.9 -28.2 27.3 29.0 19.2 85 85 A M T 3< S+ 0 0 38 -4,-1.6 47,-0.3 1,-0.2 -1,-0.3 0.804 102.9 44.9 -62.6 -26.6 25.0 26.3 20.7 86 86 A W T <4 S+ 0 0 26 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.638 93.4 104.7 -88.7 -17.4 27.5 23.7 19.4 87 87 A N S << S- 0 0 21 -4,-0.6 -14,-0.1 -3,-0.5 40,-0.1 -0.275 86.6 -84.2 -67.8 152.0 30.6 25.6 20.6 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.273 37.7-170.0 -56.6 140.8 32.5 24.5 23.7 89 89 A N + 0 0 57 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.102 65.8 46.5-127.6 15.4 31.1 25.8 27.0 90 90 A R S S- 0 0 110 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.887 106.6 -61.1-144.9 169.7 33.7 24.9 29.5 91 91 A E - 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