==== 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 26-JUN-08 3DL7 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.CARLETTI,H.LI,B.LI,F.EKSTROM,Y.NICOLET,M.LOIODICE,E.GILLON . 1069 5 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 9.5 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 . 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 . 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 . 287 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 6 3 1 7 3 2 2 4 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 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 0 168 0, 0.0 2,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 154.3 30.5 14.7 55.3 2 2 A G + 0 0 64 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.506 360.0 37.8 137.2 -65.4 28.0 15.5 58.0 3 3 A R S S+ 0 0 251 -2,-0.1 2,-0.1 2,-0.1 0, 0.0 0.530 95.2 94.0 -99.2 -8.7 25.9 18.5 56.9 4 4 A E S S- 0 0 61 1,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.237 88.1 -70.3 -92.1 174.8 25.4 17.8 53.2 5 5 A D > - 0 0 43 1,-0.2 3,-2.7 2,-0.1 4,-0.3 -0.437 35.0-148.8 -71.1 111.1 22.7 16.0 51.1 6 6 A P G > S+ 0 0 110 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.692 94.8 61.0 -52.2 -21.2 22.8 12.3 51.8 7 7 A Q G 3 S+ 0 0 51 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.543 97.2 58.6 -81.4 -6.5 21.6 11.6 48.2 8 8 A L G < S+ 0 0 16 -3,-2.7 11,-2.6 11,-0.1 2,-0.6 0.379 81.8 88.8-109.6 1.9 24.5 13.3 46.6 9 9 A L E < +A 18 0A 31 -3,-0.5 2,-0.3 -4,-0.3 9,-0.2 -0.923 51.5 163.4-106.6 122.7 27.4 11.2 47.9 10 10 A V E -A 17 0A 10 7,-2.0 7,-3.5 -2,-0.6 2,-0.4 -0.964 28.7-137.2-136.1 147.1 28.3 8.1 45.9 11 11 A R E +A 16 0A 160 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.922 21.8 177.5-106.3 134.2 31.4 5.8 45.7 12 12 A V E > -A 15 0A 6 3,-3.3 3,-2.1 -2,-0.4 174,-0.1 -0.795 50.1 -85.8-121.2 175.2 32.8 4.6 42.4 13 13 A R T 3 S+ 0 0 158 1,-0.3 3,-0.1 -2,-0.3 169,-0.0 0.800 127.3 46.0 -53.5 -32.9 35.9 2.4 41.8 14 14 A G T 3 S- 0 0 10 1,-0.2 42,-2.8 41,-0.1 2,-0.3 0.568 123.0 -79.7 -88.4 -9.7 38.3 5.4 41.9 15 15 A G E < -A 12 0A 5 -3,-2.1 -3,-3.3 40,-0.2 2,-0.3 -0.985 65.8 -21.7 150.1-160.0 36.9 7.0 45.0 16 16 A Q E -Ab 11 59A 58 42,-1.0 44,-3.4 -2,-0.3 2,-0.4 -0.733 47.9-162.4 -98.2 137.6 34.2 9.2 46.5 17 17 A L E -Ab 10 60A 1 -7,-3.5 -7,-2.0 -2,-0.3 2,-0.5 -0.922 12.6-159.9-122.6 142.8 32.0 11.7 44.6 18 18 A R E -Ab 9 61A 66 42,-2.4 44,-2.9 -2,-0.4 -9,-0.2 -0.987 21.6-176.7-116.6 123.0 29.8 14.6 45.6 19 19 A G - 0 0 4 -11,-2.6 2,-0.4 -2,-0.5 13,-0.2 -0.178 21.0-107.1-100.4-163.8 27.1 15.5 43.0 20 20 A I E -C 31 0B 57 11,-2.5 11,-2.2 42,-0.3 2,-0.6 -0.981 14.6-126.6-135.0 140.7 24.6 18.3 42.8 21 21 A R E -C 30 0B 124 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.795 37.5-167.6 -83.2 116.1 20.8 18.4 43.1 22 22 A L E -C 29 0B 27 7,-3.4 7,-2.9 -2,-0.6 2,-0.5 -0.836 18.7-120.3-109.9 148.3 19.6 20.1 39.9 23 23 A K E +C 28 0B 162 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.758 28.1 179.7 -86.8 125.2 16.1 21.5 39.1 24 24 A A E > -C 27 0B 10 3,-2.3 3,-1.6 -2,-0.5 113,-0.0 -0.779 45.8-101.1-106.7 165.1 14.3 20.1 36.2 25 25 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 430,-0.0 0.909 122.7 42.8 -49.6 -46.1 10.8 21.4 35.2 26 26 A G T 3 S- 0 0 55 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.316 130.4 -63.9 -87.9 11.0 9.0 18.4 36.9 27 27 A G E < S-C 24 0B 24 -3,-1.6 -3,-2.3 2,-0.0 -1,-0.2 -0.818 77.0 -29.3 133.0-174.7 11.2 18.3 40.1 28 28 A P E -C 23 0B 33 0, 0.0 77,-0.6 0, 0.0 2,-0.3 -0.336 45.2-168.0 -81.8 154.3 14.8 17.7 41.2 29 29 A V E -CD 22 104B 0 -7,-2.9 -7,-3.4 75,-0.2 2,-0.4 -0.959 21.5-120.3-130.8 155.0 17.5 15.5 39.5 30 30 A S E -CD 21 103B 0 73,-2.6 73,-2.2 -2,-0.3 2,-0.4 -0.804 29.1-172.1 -91.3 136.6 21.0 14.2 40.7 31 31 A A E -CD 20 102B 0 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.6 -0.993 16.6-170.9-130.5 133.7 24.0 15.2 38.6 32 32 A F E - D 0 101B 0 69,-3.3 69,-2.4 -2,-0.4 2,-0.4 -0.941 24.3-172.8-120.0 105.1 27.6 13.9 38.9 33 33 A L E +m 63 0C 9 29,-3.6 31,-0.6 -2,-0.6 67,-0.2 -0.819 54.0 10.7-113.4 139.3 29.6 16.1 36.6 34 34 A G E + 0 0 3 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.870 68.4 172.7 65.8 40.8 33.2 15.9 35.5 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.8 -3,-0.4 2,-0.2 -0.723 33.1-127.1 -74.5 123.5 34.0 12.4 36.9 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.550 33.6 172.5 -73.0 134.6 37.5 11.6 35.6 37 37 A F + 0 0 5 60,-1.4 16,-1.0 -2,-0.2 2,-0.3 0.447 63.0 30.7-120.9 -4.5 37.6 8.2 33.8 38 38 A A B S-N 52 0D 3 59,-0.8 -1,-0.2 14,-0.3 15,-0.1 -0.956 91.2 -89.4-144.1 159.6 41.2 8.3 32.5 39 39 A E - 0 0 22 12,-2.8 12,-0.3 -2,-0.3 14,-0.1 -0.553 66.1 -86.7 -64.7 137.7 44.6 9.7 33.4 40 40 A P - 0 0 28 0, 0.0 2,-2.8 0, 0.0 55,-0.2 -0.266 40.6-131.9 -47.2 117.2 44.8 13.1 31.8 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.216 61.7 130.3 -76.0 59.7 46.1 12.3 28.3 42 42 A V > - 0 0 60 -2,-2.8 3,-2.8 3,-0.1 2,-0.1 -0.517 52.9 -1.2-110.3 169.2 48.8 14.9 28.5 43 43 A G G > S+ 0 0 49 1,-0.3 3,-1.4 2,-0.2 0, 0.0 -0.289 136.8 6.3 60.8-122.3 52.6 15.3 27.9 44 44 A S G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -2,-0.1 225,-0.1 0.578 127.6 67.1 -67.6 -6.8 54.0 12.0 26.9 45 45 A R G X + 0 0 66 -3,-2.8 3,-1.8 -5,-0.1 -1,-0.2 0.544 68.5 118.4 -95.1 -6.0 50.4 10.6 26.7 46 46 A R T < S+ 0 0 11 -3,-1.4 -4,-0.1 1,-0.3 223,-0.1 -0.341 85.1 12.7 -61.4 136.9 49.2 12.6 23.8 47 47 A F T 3 S+ 0 0 1 109,-0.6 122,-0.5 1,-0.2 -1,-0.3 0.309 107.8 115.9 75.4 -9.0 48.2 10.4 20.8 48 48 A M S < S- 0 0 40 -3,-1.8 -1,-0.2 119,-0.1 3,-0.1 -0.680 77.0 -94.8 -94.5 148.2 48.3 7.4 23.2 49 49 A P - 0 0 49 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.126 53.2 -97.5 -51.3 149.6 45.4 5.1 24.2 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.458 30.4-146.9 -74.9 149.5 43.9 6.2 27.5 51 51 A E - 0 0 81 -12,-0.3 -12,-2.8 -2,-0.1 3,-0.1 -0.915 34.6 -92.3-109.4 143.0 44.8 4.6 30.8 52 52 A P B -N 38 0D 86 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.139 50.7 -93.9 -53.7 145.1 42.2 4.2 33.5 53 53 A K - 0 0 61 -16,-1.0 3,-0.1 -15,-0.1 -14,-0.1 -0.436 40.1-121.0 -66.5 123.7 42.0 7.0 36.1 54 54 A R - 0 0 149 -2,-0.3 -1,-0.1 -3,-0.1 -40,-0.1 -0.407 40.3 -94.4 -60.7 136.8 44.2 6.3 39.1 55 55 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.131 42.8-150.9 -54.3 151.9 42.1 6.3 42.3 56 56 A W - 0 0 50 -42,-2.8 2,-0.3 2,-0.1 -40,-0.1 -0.696 8.7-120.0-119.7 170.1 42.0 9.6 44.3 57 57 A S + 0 0 118 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.868 69.3 14.9-116.0 155.0 41.5 10.3 47.9 58 58 A G S S- 0 0 47 -2,-0.3 -42,-1.0 2,-0.1 2,-0.7 -0.370 107.3 -40.5 83.7-166.9 38.8 12.3 49.7 59 59 A V E -b 16 0A 52 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.884 56.4-140.8-102.6 115.9 35.6 13.4 48.1 60 60 A L E -b 17 0A 39 -44,-3.4 -42,-2.4 -2,-0.7 2,-0.7 -0.553 19.5-123.9 -68.8 131.2 35.9 14.5 44.5 61 61 A D E +b 18 0A 76 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.719 34.3 172.6 -81.2 120.4 33.7 17.4 43.7 62 62 A A + 0 0 0 -44,-2.9 -29,-3.6 -2,-0.7 -42,-0.3 -0.324 44.1 107.0-124.3 46.5 31.5 16.4 40.8 63 63 A T B S+m 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.518 72.6 48.6-107.7 -9.7 29.2 19.4 40.7 64 64 A T S S- 0 0 78 -31,-0.6 -1,-0.1 -3,-0.2 2,-0.0 -0.963 86.3-100.0-134.4 151.0 30.5 21.2 37.6 65 65 A F - 0 0 34 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.343 42.3-135.6 -60.9 148.1 31.3 20.3 34.0 66 66 A Q - 0 0 65 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.365 38.6 -50.6 -98.9 178.9 35.0 19.8 33.3 67 67 A N - 0 0 25 28,-0.3 2,-0.3 -2,-0.1 -1,-0.2 -0.076 50.4-125.0 -48.4 147.5 37.3 20.9 30.5 68 68 A V E -o 92 0E 0 23,-2.3 25,-2.3 -3,-0.1 3,-0.1 -0.758 37.2 -96.9 -88.9 139.0 36.4 20.4 26.9 69 69 A a E -o 93 0E 2 -2,-0.3 25,-0.2 57,-0.2 57,-0.1 -0.285 53.6 -84.3 -58.6 142.3 39.0 18.5 24.8 70 70 A Y S S+ 0 0 50 23,-0.6 83,-0.4 22,-0.1 2,-0.3 -0.166 70.9 150.5 -51.6 129.4 41.3 20.8 22.8 71 71 A Q - 0 0 4 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.998 50.7 -82.8-161.1 160.2 39.6 21.8 19.5 72 72 A Y - 0 0 92 52,-0.7 2,-0.5 -2,-0.3 52,-0.0 -0.444 42.9-145.6 -61.1 131.0 39.0 24.1 16.7 73 73 A V - 0 0 50 -2,-0.2 2,-0.3 14,-0.1 14,-0.1 -0.935 11.5-127.7-111.1 123.0 36.4 26.8 17.6 74 74 A D + 0 0 21 -2,-0.5 13,-0.0 9,-0.1 12,-0.0 -0.489 36.6 161.1 -67.6 122.7 34.0 28.1 14.9 75 75 A T + 0 0 106 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 0.332 37.9 113.2-125.4 5.9 34.1 31.9 14.6 76 76 A L S S+ 0 0 93 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.848 88.8 31.1 -40.5 -45.9 32.5 32.4 11.1 77 77 A Y S > S- 0 0 36 3,-0.1 3,-1.7 -3,-0.0 6,-0.3 -0.693 81.7-153.4-127.3 82.7 29.4 34.1 12.8 78 78 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.173 81.9 6.7 -45.6 133.8 30.1 36.0 16.1 79 79 A G T 3 S+ 0 0 73 1,-0.2 2,-0.6 2,-0.1 3,-0.0 0.317 94.2 135.9 74.6 -8.2 27.1 36.3 18.4 80 80 A F X> - 0 0 24 -3,-1.7 4,-2.5 1,-0.2 3,-1.3 -0.640 46.2-156.4 -82.8 118.5 25.1 33.9 16.2 81 81 A E H 3> S+ 0 0 120 -2,-0.6 4,-2.2 1,-0.3 5,-0.2 0.826 88.5 69.9 -61.9 -34.5 23.2 31.3 18.2 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.811 116.9 22.8 -54.2 -32.4 23.1 28.9 15.3 83 83 A T H X4 S+ 0 0 2 -3,-1.3 3,-1.1 -6,-0.3 4,-0.3 0.747 118.0 61.5-101.9 -32.4 26.9 28.4 15.6 84 84 A E H >< S+ 0 0 72 -4,-2.5 3,-2.3 1,-0.3 -3,-0.2 0.873 91.0 67.2 -66.6 -39.8 27.4 29.3 19.3 85 85 A M T 3< S+ 0 0 35 -4,-2.2 47,-0.3 1,-0.3 -1,-0.3 0.732 104.5 46.0 -55.2 -23.3 25.2 26.6 20.7 86 86 A W T < S+ 0 0 42 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.462 92.1 105.5 -95.9 -3.2 27.8 24.0 19.4 87 87 A N S < S- 0 0 23 -3,-2.3 -14,-0.1 -4,-0.3 38,-0.0 -0.434 86.4 -82.6 -82.4 151.4 30.9 25.8 20.7 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.218 37.6-169.6 -50.1 135.8 33.0 24.7 23.7 89 89 A N + 0 0 52 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.176 67.4 46.8-115.5 10.2 31.3 26.0 26.9 90 90 A R S S- 0 0 112 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.890 105.7 -60.7-137.5 171.5 34.2 25.2 29.2 91 91 A E - 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