==== 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 2HA2 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,G.SULZENBACHER,E.KIM,P.TAYLOR,P.MARCHOT . 1070 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39032.0 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 . 101 9.4 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 . 65 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 26.4 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 2 2 5 2 1 1 5 0 2 2 1 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 . 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 . 3 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 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.4 30.3 14.5 55.7 2 2 A G + 0 0 65 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.206 360.0 50.1 154.8 -50.2 27.4 15.3 58.0 3 3 A R S S+ 0 0 259 2,-0.1 2,-0.3 3,-0.0 0, 0.0 -0.001 92.8 98.8-106.4 28.6 25.5 18.4 56.9 4 4 A E S S- 0 0 66 1,-0.0 5,-0.1 2,-0.0 -2,-0.1 -0.791 86.2 -83.3-134.2 150.9 25.0 17.4 53.4 5 5 A D > - 0 0 49 -2,-0.3 3,-2.0 1,-0.2 4,-0.1 -0.369 34.2-154.3 -62.7 111.7 22.3 15.8 51.1 6 6 A P G > S+ 0 0 108 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.620 89.1 66.3 -64.7 -12.5 22.7 12.0 51.6 7 7 A Q G 3 S+ 0 0 48 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.546 96.4 55.8 -83.3 -6.3 21.2 11.3 48.2 8 8 A L G < S+ 0 0 17 -3,-2.0 11,-3.0 11,-0.1 2,-0.6 0.300 83.2 93.3-110.3 8.7 24.2 12.9 46.4 9 9 A L E < +A 18 0A 35 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.921 48.5 159.9-110.2 119.9 27.1 10.8 47.9 10 10 A V E -A 17 0A 10 7,-1.8 7,-3.4 -2,-0.6 2,-0.5 -0.979 29.4-139.1-139.9 145.2 28.1 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 -0.924 19.6 179.4-109.2 134.2 31.2 5.6 45.7 12 12 A V E > -A 15 0A 8 3,-2.9 3,-1.7 -2,-0.5 174,-0.1 -0.659 50.3 -83.1-115.2 179.1 32.7 4.2 42.5 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.816 129.4 48.2 -54.7 -36.4 35.8 2.1 42.0 14 14 A G T 3 S- 0 0 12 1,-0.3 42,-2.2 41,-0.1 2,-0.3 0.586 123.6 -89.7 -81.5 -11.2 38.2 5.0 42.1 15 15 A G E < -A 12 0A 5 -3,-1.7 -3,-2.9 40,-0.2 -1,-0.3 -0.921 65.2 -13.1 137.4-162.3 36.6 6.4 45.3 16 16 A Q E -Ab 11 59A 62 42,-0.9 44,-2.9 -2,-0.3 2,-0.3 -0.541 49.5-167.6 -88.3 141.7 33.9 8.7 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-1.8 42,-0.2 2,-0.5 -0.918 13.5-152.3-124.7 150.8 31.9 11.3 44.7 18 18 A R E -Ab 9 61A 73 42,-2.2 44,-2.8 -2,-0.3 -9,-0.2 -0.990 21.7-170.2-121.6 121.8 29.6 14.2 45.6 19 19 A G - 0 0 4 -11,-3.0 2,-0.4 -2,-0.5 13,-0.2 -0.195 17.4-111.8 -97.3-169.8 26.9 15.0 43.0 20 20 A I E -C 31 0B 55 11,-2.8 11,-2.4 42,-0.3 2,-0.7 -0.966 14.4-127.6-130.9 141.5 24.4 17.9 42.6 21 21 A R E -C 30 0B 132 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.826 35.1-171.0 -86.9 114.6 20.6 18.1 42.8 22 22 A L E -C 29 0B 29 7,-2.6 7,-2.7 -2,-0.7 2,-0.6 -0.769 21.0-119.4-108.0 151.7 19.4 19.7 39.6 23 23 A K E -C 28 0B 183 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.836 25.6-177.0 -91.7 116.7 15.9 21.0 38.8 24 24 A A E > -C 27 0B 7 3,-2.2 3,-1.3 -2,-0.6 113,-0.1 -0.754 44.7-103.9 -95.2 159.8 14.1 19.4 35.8 25 25 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 112,-0.0 0.856 121.5 42.6 -50.9 -39.5 10.7 20.9 35.0 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.552 131.1 -56.9 -86.8 -9.1 8.9 17.9 36.5 27 27 A G E < S-C 24 0B 20 -3,-1.3 -3,-2.2 2,-0.0 -1,-0.3 -0.914 74.7 -39.8 153.0-177.4 11.1 17.6 39.6 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.336 42.5-169.5 -79.8 154.4 14.7 17.1 40.8 29 29 A V E -CD 22 104B 0 -7,-2.7 -7,-2.6 75,-0.2 2,-0.4 -0.914 22.7-117.9-131.4 163.3 17.3 14.9 39.3 30 30 A S E -CD 21 103B 0 73,-2.7 73,-2.2 -2,-0.3 2,-0.4 -0.855 28.3-169.1 -98.5 134.6 20.8 13.8 40.5 31 31 A A E -CD 20 102B 0 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.6 -0.991 16.9-172.6-128.9 134.0 23.9 14.7 38.5 32 32 A F E + D 0 101B 0 69,-2.9 69,-2.5 -2,-0.4 2,-0.3 -0.924 25.7 179.4-121.2 97.0 27.4 13.5 38.9 33 33 A L E +n 63 0C 8 29,-2.5 31,-0.6 -2,-0.6 67,-0.2 -0.820 52.6 21.4-109.6 137.4 29.3 15.7 36.4 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 65,-0.2 66,-0.2 0.817 68.7 168.6 80.2 35.0 33.1 15.7 35.7 35 35 A I E - D 0 99B 0 64,-2.4 64,-2.1 -3,-0.3 -1,-0.2 -0.682 35.1-127.6 -81.0 116.7 33.9 12.1 36.9 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.482 32.1 173.4 -66.8 129.0 37.5 11.3 35.7 37 37 A F + 0 0 4 60,-2.0 16,-1.0 -2,-0.2 2,-0.3 0.470 64.1 26.8-110.4 -6.0 37.5 8.0 33.8 38 38 A A B S-O 52 0D 3 59,-1.0 -1,-0.1 14,-0.3 59,-0.1 -0.953 89.4 -89.9-145.2 162.0 41.2 8.1 32.6 39 39 A E - 0 0 18 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.529 66.5 -85.2 -65.6 141.1 44.6 9.5 33.6 40 40 A P - 0 0 33 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.287 37.9-136.2 -55.2 124.3 45.0 12.9 32.0 41 41 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.300 59.4 129.4 -83.6 61.0 46.3 12.1 28.5 42 42 A V > - 0 0 61 -2,-2.2 3,-1.9 3,-0.1 2,-0.1 -0.669 56.9 -3.5-115.2 161.9 48.9 14.9 28.6 43 43 A G G > S+ 0 0 46 1,-0.3 3,-2.3 -2,-0.2 0, 0.0 -0.381 137.4 7.4 61.3-127.4 52.6 15.2 28.0 44 44 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -2,-0.1 225,-0.1 0.606 128.0 66.1 -59.8 -13.6 54.1 11.8 27.1 45 45 A R G X S+ 0 0 67 -3,-1.9 3,-1.7 -5,-0.1 -1,-0.3 0.517 71.5 119.1 -87.9 -10.6 50.5 10.5 27.1 46 46 A R T < S+ 0 0 11 -3,-2.3 -4,-0.1 1,-0.3 223,-0.1 -0.368 85.3 8.2 -62.2 136.9 49.5 12.5 24.0 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.223 107.6 116.5 72.6 -7.8 48.4 10.3 21.1 48 48 A M S < S- 0 0 60 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.532 76.6 -88.9 -92.3 153.7 48.6 7.2 23.3 49 49 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.158 57.7 -92.9 -49.5 149.6 45.7 4.9 24.4 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.427 31.3-142.9 -73.2 145.5 44.0 6.0 27.6 51 51 A E - 0 0 87 -12,-0.4 -12,-3.1 -2,-0.1 3,-0.1 -0.916 30.8-104.7-102.9 132.4 45.1 4.7 31.0 52 52 A P B -O 38 0D 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.265 45.3 -93.3 -59.0 145.9 42.3 4.1 33.5 53 53 A K - 0 0 66 -16,-1.0 3,-0.1 -14,-0.1 -14,-0.1 -0.363 36.9-128.1 -64.6 128.3 42.0 6.6 36.3 54 54 A R - 0 0 153 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.552 38.6 -90.1 -74.2 141.6 43.9 5.8 39.4 55 55 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.120 42.2-146.0 -53.1 147.8 41.9 6.0 42.6 56 56 A W - 0 0 49 -42,-2.2 2,-0.3 2,-0.1 -40,-0.2 -0.718 10.6-118.4-112.5 162.3 41.7 9.3 44.5 57 57 A S S S+ 0 0 118 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.740 73.1 5.5 -99.8 150.6 41.5 10.1 48.2 58 58 A G S S- 0 0 48 -2,-0.3 -42,-0.9 2,-0.1 2,-0.6 -0.298 107.7 -36.0 79.0-161.7 38.6 11.9 49.8 59 59 A V E -b 16 0A 52 -44,-0.1 2,-0.4 -2,-0.0 -42,-0.2 -0.897 55.2-142.3-107.4 115.6 35.4 13.0 48.1 60 60 A L E -b 17 0A 39 -44,-2.9 -42,-2.2 -2,-0.6 2,-0.7 -0.650 21.4-121.9 -76.4 129.4 35.7 14.1 44.5 61 61 A D E +b 18 0A 74 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.636 33.7 174.5 -75.8 114.0 33.4 17.0 43.7 62 62 A A + 0 0 0 -44,-2.8 -29,-2.5 -2,-0.7 -42,-0.3 -0.313 45.8 107.0-114.2 48.2 31.2 16.0 40.8 63 63 A T B S+n 33 0C 33 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.552 73.0 44.5-105.3 -12.4 29.0 19.1 40.7 64 64 A T S S- 0 0 85 -31,-0.6 -1,-0.1 -3,-0.3 2,-0.0 -0.964 85.8 -99.2-135.2 150.8 30.2 20.8 37.5 65 65 A F - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.317 42.7-133.8 -58.1 147.5 31.1 19.9 34.0 66 66 A Q - 0 0 62 1,-0.2 -1,-0.1 30,-0.1 63,-0.1 -0.190 39.1 -50.9-101.2-171.4 34.8 19.4 33.4 67 67 A N - 0 0 35 28,-0.2 2,-0.3 1,-0.1 31,-0.2 -0.234 51.0-120.1 -65.2 152.4 37.1 20.7 30.6 68 68 A V E -p 92 0E 0 23,-2.6 25,-2.7 -3,-0.1 3,-0.1 -0.698 36.2-100.7 -87.4 139.3 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 -0.354 53.2 -86.5 -59.4 141.9 39.0 18.3 24.8 70 70 A Y S S+ 0 0 51 23,-0.6 83,-0.3 22,-0.1 2,-0.3 -0.275 70.9 148.1 -58.6 131.0 41.2 20.6 22.8 71 71 A Q - 0 0 6 -3,-0.1 54,-0.1 83,-0.1 2,-0.0 -0.994 51.7 -81.3-160.5 158.1 39.6 21.5 19.5 72 72 A Y - 0 0 69 52,-0.6 2,-0.5 -2,-0.3 206,-0.0 -0.327 42.9-144.4 -53.9 138.3 38.9 23.9 16.7 73 73 A V - 0 0 56 14,-0.1 2,-0.1 52,-0.1 14,-0.1 -0.973 22.6-108.8-118.8 127.9 36.3 26.4 17.6 74 74 A D + 0 0 27 -2,-0.5 13,-0.1 9,-0.2 9,-0.0 -0.335 38.8 170.2 -63.5 129.0 33.9 27.5 14.8 75 75 A T + 0 0 102 -2,-0.1 -1,-0.1 3,-0.1 8,-0.0 0.437 46.0 102.8-113.0 -8.3 34.5 31.1 13.7 76 76 A L S S+ 0 0 69 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.860 96.4 17.6 -50.0 -47.6 32.2 31.4 10.5 77 77 A Y S > S- 0 0 34 3,-0.1 3,-1.3 -3,-0.0 6,-0.3 -0.716 81.0-152.0-133.2 81.6 29.4 33.4 12.2 78 78 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.306 77.9 11.0 -61.0 127.0 30.4 35.1 15.5 79 79 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 -2,-0.1 3,-0.0 0.513 93.3 128.8 91.4 9.5 27.6 35.6 18.1 80 80 A F X> - 0 0 27 -3,-1.3 4,-2.7 1,-0.1 3,-1.6 -0.878 55.6-145.8-113.0 121.5 25.1 33.5 16.3 81 81 A E H 3> S+ 0 0 121 -2,-0.5 4,-2.0 1,-0.3 5,-0.1 0.789 95.1 69.7 -59.7 -30.3 23.2 30.8 18.2 82 82 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.858 117.6 20.8 -55.8 -38.5 23.1 28.5 15.1 83 83 A T H X> S+ 0 0 3 -3,-1.6 3,-1.9 -6,-0.3 4,-0.5 0.834 119.7 59.5 -97.7 -40.2 26.9 28.0 15.4 84 84 A E H >< S+ 0 0 77 -4,-2.7 3,-0.9 1,-0.3 -3,-0.2 0.760 90.2 72.0 -64.2 -23.9 27.6 28.9 19.0 85 85 A M T 3< S+ 0 0 34 -4,-2.0 47,-0.3 1,-0.3 -1,-0.3 0.698 103.3 42.2 -67.3 -16.4 25.2 26.2 20.3 86 86 A W T <4 S+ 0 0 45 -3,-1.9 -1,-0.3 -5,-0.1 40,-0.2 0.482 95.0 103.3-102.8 -8.1 27.8 23.6 19.2 87 87 A N S << S- 0 0 20 -3,-0.9 -14,-0.1 -4,-0.5 40,-0.1 -0.387 87.9 -79.0 -76.8 156.3 30.9 25.5 20.5 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.206 35.2-169.2 -58.3 138.7 32.7 24.5 23.7 89 89 A N S S+ 0 0 53 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.341 72.1 48.4-112.0 1.0 31.0 25.8 26.9 90 90 A R S S- 0 0 101 1,-0.1 -23,-0.1 -24,-0.0 -24,-0.1 -0.844 103.6 -75.4-124.2 174.2 33.9 25.0 29.2 91 91 A E - 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