==== 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 2HA6 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,G.SULZENBACHER,E.KIM,P.TAYLOR,P.MARCHOT . 1069 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 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 . 1 0.1 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 . 56 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 26.5 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 3 5 3 0 2 5 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 . 4 0 0 6 2 1 1 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 1 1 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 0.000 360.0 360.0 360.0 178.2 29.4 15.0 55.4 2 2 A G + 0 0 71 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.406 360.0 43.3 131.5 -51.8 26.8 15.2 58.1 3 3 A R S S+ 0 0 260 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.304 94.6 99.8-105.3 3.5 25.0 18.3 56.7 4 4 A E S S- 0 0 72 1,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.452 90.3 -86.3 -88.7 165.2 25.0 17.2 53.0 5 5 A D > - 0 0 49 1,-0.2 3,-2.2 -2,-0.1 4,-0.2 -0.598 36.7-153.1 -72.1 111.2 22.1 15.7 51.0 6 6 A P G > S+ 0 0 105 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.711 90.6 64.0 -64.8 -16.7 22.5 12.0 51.8 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.523 98.4 56.6 -86.3 -2.6 20.8 11.0 48.5 8 8 A L G < S+ 0 0 15 -3,-2.2 11,-2.6 11,-0.1 2,-0.6 0.352 82.7 95.8-108.3 5.6 23.7 12.7 46.5 9 9 A L E < +A 18 0A 38 -3,-0.8 2,-0.3 -4,-0.2 9,-0.2 -0.871 47.8 159.7-104.0 119.5 26.7 10.7 48.0 10 10 A V E -A 17 0A 11 7,-1.7 7,-3.2 -2,-0.6 2,-0.4 -0.978 28.7-139.7-137.8 146.9 27.8 7.7 45.9 11 11 A R E +A 16 0A 154 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.911 19.2 178.1-109.6 138.8 30.9 5.6 45.7 12 12 A V E > -A 15 0A 7 3,-2.9 3,-1.8 -2,-0.4 174,-0.1 -0.699 50.7 -81.8-121.7 178.9 32.5 4.2 42.5 13 13 A R T 3 S+ 0 0 157 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.826 130.0 46.8 -51.0 -39.5 35.7 2.1 41.9 14 14 A G T 3 S- 0 0 11 1,-0.3 42,-2.3 22,-0.1 -1,-0.3 0.508 124.0 -90.0 -83.1 -8.5 37.9 5.2 42.1 15 15 A G E < -A 12 0A 4 -3,-1.8 -3,-2.9 40,-0.2 -1,-0.3 -0.854 63.8 -14.4 137.6-166.5 36.3 6.6 45.2 16 16 A Q E -Ab 11 59A 62 42,-0.7 44,-2.9 -2,-0.3 2,-0.3 -0.459 49.7-166.0 -79.1 143.6 33.5 8.7 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.2 -7,-1.7 42,-0.2 2,-0.5 -0.932 14.1-151.5-126.3 148.9 31.5 11.3 44.7 18 18 A R E -Ab 9 61A 59 42,-2.4 44,-2.8 -2,-0.3 -9,-0.2 -0.980 22.6-171.7-121.0 117.1 29.1 14.1 45.5 19 19 A G - 0 0 4 -11,-2.6 2,-0.4 -2,-0.5 13,-0.2 -0.133 17.2-113.9 -92.1-169.8 26.5 14.9 43.0 20 20 A I E -C 31 0B 54 11,-2.9 11,-2.4 42,-0.3 2,-0.7 -0.977 13.5-125.8-134.0 142.8 23.9 17.7 42.6 21 21 A R E -C 30 0B 109 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.805 34.4-168.9 -87.8 116.1 20.2 17.8 42.8 22 22 A L E -C 29 0B 29 7,-2.8 7,-2.5 -2,-0.7 2,-0.6 -0.774 19.5-119.8-105.6 153.8 18.9 19.5 39.6 23 23 A K E -C 28 0B 165 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.831 26.0-177.8 -93.8 120.3 15.4 20.8 38.8 24 24 A A E > -C 27 0B 9 3,-2.2 3,-1.1 -2,-0.6 113,-0.0 -0.752 44.6-104.0-100.5 161.6 13.5 19.3 35.8 25 25 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 430,-0.0 0.879 122.0 42.0 -54.2 -40.6 10.0 20.7 35.0 26 26 A G T 3 S- 0 0 56 1,-0.2 -3,-0.0 111,-0.0 111,-0.0 0.588 130.6 -60.2 -82.9 -12.5 8.3 17.7 36.6 27 27 A G E < S-C 24 0B 19 -3,-1.1 -3,-2.2 2,-0.0 -1,-0.2 -0.932 73.4 -36.2 154.3-177.1 10.5 17.4 39.6 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.314 42.6-171.8 -77.0 155.0 14.1 16.8 40.8 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.8 75,-0.2 2,-0.4 -0.940 24.2-116.6-137.6 161.1 16.8 14.6 39.3 30 30 A S E -CD 21 103B 0 73,-2.7 73,-2.3 -2,-0.3 2,-0.4 -0.833 28.8-170.5 -98.5 134.3 20.3 13.6 40.5 31 31 A A E -CD 20 102B 0 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.5 -0.989 15.2-172.6-127.4 134.9 23.3 14.6 38.4 32 32 A F E - D 0 101B 0 69,-2.8 69,-2.2 -2,-0.4 2,-0.3 -0.925 24.3-177.3-123.4 97.9 26.9 13.4 38.8 33 33 A L E +n 63 0C 9 29,-2.5 31,-0.6 -2,-0.5 67,-0.2 -0.792 53.1 18.8-107.2 140.0 28.9 15.6 36.4 34 34 A G E + 0 0 3 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.865 68.6 169.6 74.0 39.5 32.6 15.5 35.6 35 35 A I E - D 0 99B 0 64,-3.0 64,-2.8 -3,-0.3 2,-0.2 -0.725 34.0-127.7 -82.4 119.3 33.4 12.0 36.8 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.512 32.4 172.7 -67.0 131.9 37.0 11.1 35.6 37 37 A F + 0 0 4 60,-1.8 16,-0.8 -2,-0.2 2,-0.3 0.410 63.2 29.9-116.3 -2.8 37.1 7.8 33.8 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.1 14,-0.3 59,-0.1 -0.965 88.0 -92.4-145.8 160.6 40.7 7.9 32.6 39 39 A E - 0 0 24 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.571 65.7 -86.9 -64.6 138.5 44.1 9.3 33.5 40 40 A P - 0 0 30 0, 0.0 2,-1.6 0, 0.0 55,-0.2 -0.286 35.4-136.3 -50.2 124.8 44.5 12.6 31.8 41 41 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.366 59.7 128.7 -85.3 60.0 45.9 11.9 28.3 42 42 A V > - 0 0 63 -2,-1.6 3,-1.4 4,-0.1 2,-0.2 -0.668 57.4 -3.2-112.6 160.5 48.4 14.8 28.4 43 43 A G G > S+ 0 0 45 1,-0.3 3,-1.8 -2,-0.2 0, 0.0 -0.391 135.1 8.4 66.8-125.4 52.1 15.0 27.8 44 44 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -2,-0.2 225,-0.1 0.512 129.8 63.5 -67.8 -2.6 53.8 11.7 27.0 45 45 A R G X + 0 0 56 -3,-1.4 3,-1.6 -5,-0.1 -1,-0.3 0.476 69.5 118.7-109.9 -6.3 50.3 10.3 26.8 46 46 A R T < S+ 0 0 13 -3,-1.8 -4,-0.1 1,-0.2 223,-0.1 -0.455 85.4 14.1 -55.4 132.7 49.0 12.4 23.9 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.3 -1,-0.2 0.281 105.8 115.4 77.5 -3.1 48.0 10.1 21.0 48 48 A M S < S- 0 0 28 -3,-1.6 -1,-0.3 119,-0.1 3,-0.1 -0.640 76.8 -90.6 -97.4 152.5 48.1 7.0 23.3 49 49 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.167 55.2 -94.3 -51.4 150.4 45.2 4.8 24.4 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.422 31.8-146.9 -71.9 142.0 43.5 5.9 27.6 51 51 A E - 0 0 81 -12,-0.4 -12,-2.9 -2,-0.1 3,-0.1 -0.897 33.4 -99.1-100.6 141.6 44.7 4.3 30.9 52 52 A P B -O 38 0D 85 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.256 48.2 -89.4 -63.1 147.4 41.9 3.9 33.5 53 53 A K - 0 0 63 -16,-0.8 -14,-0.1 -14,-0.1 3,-0.1 -0.327 36.3-126.8 -62.0 130.5 41.7 6.5 36.2 54 54 A R - 0 0 132 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.616 41.7 -92.7 -72.9 136.5 43.7 5.9 39.3 55 55 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.158 39.8-141.5 -55.3 143.7 41.6 6.1 42.5 56 56 A W - 0 0 46 -42,-2.3 2,-0.3 2,-0.1 -40,-0.2 -0.626 11.4-120.9-102.4 161.3 41.3 9.5 44.3 57 57 A S S S+ 0 0 118 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.793 72.6 4.2-102.7 148.4 41.2 10.2 48.0 58 58 A G S S- 0 0 49 -2,-0.3 -42,-0.7 2,-0.1 2,-0.6 -0.295 108.5 -32.7 78.2-165.2 38.2 11.9 49.6 59 59 A V E -b 16 0A 57 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.825 55.1-142.8 -99.1 117.4 35.0 13.1 48.0 60 60 A L E -b 17 0A 41 -44,-2.9 -42,-2.4 -2,-0.6 2,-0.6 -0.663 19.9-124.6 -78.8 126.4 35.2 14.1 44.4 61 61 A D E +b 18 0A 75 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.651 33.1 173.7 -72.9 118.6 32.9 17.1 43.6 62 62 A A + 0 0 0 -44,-2.8 -29,-2.5 -2,-0.6 -42,-0.3 -0.376 44.9 106.7-120.5 48.3 30.7 16.0 40.7 63 63 A T B S+n 33 0C 35 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.466 74.0 45.6-107.4 -5.6 28.4 19.0 40.6 64 64 A T S S- 0 0 69 -31,-0.6 -1,-0.1 -3,-0.2 2,-0.0 -0.989 87.6 -98.8-139.5 148.4 29.7 20.8 37.4 65 65 A F - 0 0 46 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.283 41.8-132.2 -58.9 148.8 30.6 19.7 33.9 66 66 A Q - 0 0 56 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.255 40.1 -50.7-101.9-178.9 34.3 19.2 33.3 67 67 A N - 0 0 26 28,-0.2 2,-0.3 1,-0.1 31,-0.2 -0.141 50.6-122.4 -55.5 149.2 36.6 20.5 30.5 68 68 A V E -p 92 0E 0 23,-2.0 25,-2.3 -3,-0.1 3,-0.1 -0.717 37.6 -98.9 -87.9 138.9 35.8 20.1 26.8 69 69 A a E -p 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.331 53.4 -84.0 -62.0 141.2 38.4 18.1 24.8 70 70 A Y S S+ 0 0 46 23,-0.8 83,-0.3 55,-0.1 2,-0.3 -0.168 73.4 143.3 -54.4 127.9 40.7 20.4 22.8 71 71 A Q - 0 0 4 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.994 52.5 -74.3-164.4 159.6 39.1 21.3 19.6 72 72 A Y - 0 0 80 52,-0.7 2,-0.5 -2,-0.3 206,-0.0 -0.361 41.0-145.9 -58.2 134.7 38.3 23.8 16.8 73 73 A V - 0 0 61 -2,-0.1 2,-0.3 14,-0.1 11,-0.1 -0.953 18.0-123.1-110.9 128.2 35.8 26.5 17.7 74 74 A D + 0 0 15 -2,-0.5 13,-0.1 9,-0.2 3,-0.0 -0.505 36.2 164.9 -73.6 130.1 33.4 27.6 14.9 75 75 A T + 0 0 98 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 0.105 38.3 117.2-130.7 25.1 33.4 31.3 14.1 76 76 A L S S+ 0 0 68 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.851 98.0 12.2 -55.7 -38.3 31.6 31.3 10.7 77 77 A Y S > S- 0 0 35 3,-0.1 3,-1.9 -3,-0.0 -1,-0.3 -0.689 88.3-145.7-143.3 84.6 28.9 33.4 12.3 78 78 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.259 81.2 8.9 -60.3 131.6 29.9 34.8 15.7 79 79 A G T 3 S+ 0 0 70 1,-0.3 2,-0.5 2,-0.1 -4,-0.0 0.341 91.8 134.2 86.4 -4.7 27.1 35.1 18.3 80 80 A F X> - 0 0 30 -3,-1.9 4,-2.9 1,-0.1 3,-1.5 -0.681 52.7-145.1 -86.2 123.4 24.7 33.2 16.2 81 81 A E H 3> S+ 0 0 116 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.843 93.9 64.9 -57.5 -38.9 22.8 30.6 18.2 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.752 117.6 26.3 -59.1 -28.5 22.6 28.1 15.3 83 83 A T H X4 S+ 0 0 1 -3,-1.5 3,-1.6 -6,-0.2 4,-0.4 0.805 118.9 55.0 -98.6 -43.7 26.4 27.7 15.4 84 84 A E H >< S+ 0 0 75 -4,-2.9 3,-1.5 1,-0.3 -3,-0.2 0.807 92.7 72.1 -64.6 -29.5 27.3 28.6 19.0 85 85 A M T 3< S+ 0 0 42 -4,-2.5 47,-0.3 -5,-0.3 -1,-0.3 0.727 102.5 44.5 -58.6 -19.8 24.9 25.9 20.4 86 86 A W T < S+ 0 0 44 -3,-1.6 -1,-0.3 -5,-0.2 40,-0.2 0.538 96.3 100.3 -98.6 -9.1 27.4 23.3 19.2 87 87 A N S < S- 0 0 16 -3,-1.5 -14,-0.1 -4,-0.4 40,-0.1 -0.305 88.1 -77.1 -77.2 158.5 30.5 25.2 20.4 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.265 35.4-171.4 -56.7 137.3 32.4 24.4 23.7 89 89 A N S S+ 0 0 62 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.225 70.2 45.9-117.4 9.2 30.7 25.6 26.9 90 90 A R S S- 0 0 109 1,-0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.911 104.5 -66.2-133.7 171.6 33.6 24.8 29.2 91 91 A E - 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