==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-AUG-12 4B83 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.D.ANDERSSON,N.FORSGREN,C.AKFUR,A.ALLGARDSSON,L.BERG,W.QIAN . 1069 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38628.0 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 . 101 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 6.4 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 . 2 0.2 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 . 56 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 26.3 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 6 3 1 6 3 1 2 4 0 2 0 2 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 . 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 . 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 0 167 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.4 30.7 14.2 55.7 2 2 A G + 0 0 65 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.444 360.0 36.2 145.5 -65.6 28.0 15.3 58.2 3 3 A R S S+ 0 0 255 2,-0.1 2,-0.2 -2,-0.0 0, 0.0 -0.035 93.7 97.3-113.7 28.6 25.8 18.2 57.2 4 4 A E S S- 0 0 65 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.657 89.0 -73.1-113.1 171.1 25.4 17.5 53.4 5 5 A D > - 0 0 45 -2,-0.2 3,-1.8 1,-0.2 4,-0.1 -0.509 37.5-154.8 -67.6 113.8 22.8 15.8 51.3 6 6 A P G > S+ 0 0 107 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.619 91.4 63.6 -65.5 -14.5 23.1 12.1 52.1 7 7 A Q G 3 S+ 0 0 47 1,-0.2 100,-0.2 12,-0.0 -2,-0.1 0.606 95.8 59.8 -84.0 -9.8 21.5 11.3 48.7 8 8 A L G < S+ 0 0 15 -3,-1.8 11,-3.2 11,-0.1 2,-0.5 0.287 83.1 93.3-103.7 10.5 24.5 13.0 46.8 9 9 A L E < +A 18 0A 32 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.922 46.7 157.8-113.8 125.7 27.3 10.8 48.1 10 10 A V E -A 17 0A 12 7,-2.0 7,-3.4 -2,-0.5 2,-0.4 -0.973 30.0-138.3-143.3 149.6 28.4 7.7 46.2 11 11 A R E +A 16 0A 156 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.949 21.1 178.0-112.2 136.5 31.5 5.5 45.9 12 12 A V E > -A 15 0A 6 3,-2.9 3,-2.2 -2,-0.4 174,-0.1 -0.750 51.0 -81.7-121.3 175.7 32.9 4.3 42.5 13 13 A R T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.2 169,-0.0 0.807 129.3 45.7 -47.2 -38.8 36.0 2.1 41.8 14 14 A G T 3 S- 0 0 10 1,-0.2 42,-2.7 22,-0.1 2,-0.3 0.526 123.5 -83.7 -87.6 -6.1 38.3 5.2 41.9 15 15 A G E < -A 12 0A 6 -3,-2.2 -3,-2.9 40,-0.2 -1,-0.2 -0.900 65.1 -20.5 140.3-167.2 36.9 6.6 45.1 16 16 A Q E -Ab 11 59A 59 42,-0.7 44,-2.7 -2,-0.3 2,-0.3 -0.556 48.6-164.5 -84.8 142.8 34.1 8.8 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-2.0 -2,-0.2 2,-0.5 -0.948 12.8-152.9-124.9 146.1 32.1 11.4 44.8 18 18 A R E -Ab 9 61A 67 42,-2.2 44,-2.8 -2,-0.3 -9,-0.2 -0.982 23.3-168.5-114.4 121.3 29.8 14.2 45.9 19 19 A G - 0 0 4 -11,-3.2 2,-0.4 -2,-0.5 13,-0.2 -0.276 15.6-112.9 -97.2-174.0 27.1 15.1 43.4 20 20 A I E -C 31 0B 55 11,-2.6 11,-2.4 42,-0.4 2,-0.7 -0.936 14.4-127.2-126.1 144.0 24.7 18.0 43.0 21 21 A R E -C 30 0B 102 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.815 34.0-165.7 -89.1 114.8 20.9 18.2 43.3 22 22 A L E -C 29 0B 27 7,-3.0 7,-2.2 -2,-0.7 2,-0.6 -0.761 17.2-124.0-103.6 149.4 19.5 19.9 40.1 23 23 A K E +C 28 0B 136 -2,-0.3 113,-0.1 5,-0.2 -2,-0.0 -0.808 26.8 178.6 -89.6 123.2 16.1 21.4 39.4 24 24 A A E > -C 27 0B 8 3,-2.2 3,-1.7 -2,-0.6 113,-0.0 -0.815 46.1-102.0-107.3 161.9 14.2 20.0 36.4 25 25 A P T 3 S+ 0 0 77 0, 0.0 112,-0.0 0, 0.0 430,-0.0 0.832 121.4 40.9 -53.6 -37.3 10.7 21.4 35.7 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.385 130.9 -56.3 -94.5 4.0 8.9 18.4 37.2 27 27 A G E < S-C 24 0B 17 -3,-1.7 -3,-2.2 2,-0.0 -1,-0.3 -0.880 74.6 -41.7 145.9-177.3 11.2 17.9 40.3 28 28 A P E -C 23 0B 30 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.408 41.3-166.5 -82.7 156.5 14.8 17.4 41.3 29 29 A V E -CD 22 104B 0 -7,-2.2 -7,-3.0 75,-0.2 2,-0.4 -0.957 23.0-117.7-131.9 156.5 17.5 15.1 39.7 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.4 -2,-0.3 2,-0.4 -0.795 31.0-170.3 -90.2 133.6 20.9 13.8 40.9 31 31 A A E -CD 20 102B 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.5 -0.987 15.7-172.7-126.4 136.6 23.9 14.9 38.7 32 32 A F E - D 0 101B 0 69,-2.9 69,-2.1 -2,-0.4 3,-0.3 -0.925 22.1-178.5-125.1 103.6 27.5 13.7 39.0 33 33 A L E +n 63 0C 11 29,-2.6 31,-0.6 -2,-0.5 67,-0.2 -0.798 53.6 18.6-113.4 144.1 29.6 15.8 36.6 34 34 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.838 68.7 167.8 69.7 34.7 33.3 15.7 35.8 35 35 A I E - D 0 99B 0 64,-2.4 64,-2.5 -3,-0.3 -1,-0.2 -0.716 33.8-130.8 -76.7 118.3 34.0 12.2 37.0 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.485 31.6 172.8 -71.0 139.0 37.5 11.2 35.7 37 37 A F + 0 0 4 60,-1.7 16,-0.9 1,-0.2 2,-0.3 0.380 62.9 32.6-123.6 -1.1 37.6 7.8 33.9 38 38 A A B S-O 52 0D 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.971 88.5 -92.0-148.6 156.9 41.2 7.9 32.5 39 39 A E - 0 0 13 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.539 64.3 -88.1 -64.7 140.2 44.6 9.2 33.3 40 40 A P - 0 0 31 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.328 36.3-137.0 -53.4 122.9 45.0 12.6 31.7 41 41 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.343 58.9 129.6 -84.0 59.9 46.4 11.9 28.2 42 42 A V > - 0 0 63 -2,-2.0 3,-1.7 4,-0.1 2,-0.1 -0.640 55.7 -1.6-111.1 165.9 48.9 14.7 28.3 43 43 A G G > S+ 0 0 46 1,-0.3 3,-1.9 -2,-0.2 0, 0.0 -0.355 135.7 6.8 63.2-125.3 52.6 15.0 27.7 44 44 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.506 129.6 64.3 -69.2 -1.8 54.2 11.6 26.7 45 45 A R G X S+ 0 0 69 -3,-1.7 3,-1.9 -5,-0.1 -1,-0.3 0.470 70.6 119.1-102.0 -5.2 50.7 10.2 26.6 46 46 A R T < S+ 0 0 13 -3,-1.9 -4,-0.1 1,-0.3 223,-0.1 -0.394 84.5 14.4 -60.2 139.2 49.4 12.4 23.7 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.4 1,-0.2 -1,-0.3 0.298 106.6 120.3 76.2 -6.2 48.3 10.2 20.8 48 48 A M S < S- 0 0 41 -3,-1.9 -1,-0.2 119,-0.1 3,-0.1 -0.519 74.8 -94.0 -91.7 153.7 48.4 7.1 23.2 49 49 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 -0.356 55.8 -97.8 -55.7 144.5 45.5 4.7 24.2 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.373 30.8-144.5 -70.8 146.4 43.9 5.9 27.4 51 51 A E - 0 0 89 -12,-0.4 -12,-3.1 -3,-0.1 3,-0.1 -0.901 32.6 -96.4-106.1 141.2 44.9 4.3 30.7 52 52 A P B -O 38 0D 89 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.257 48.3 -97.4 -56.0 138.7 42.3 3.8 33.4 53 53 A K - 0 0 66 -16,-0.9 -14,-0.1 -14,-0.1 3,-0.1 -0.325 37.3-124.0 -61.3 135.2 42.1 6.6 36.1 54 54 A R - 0 0 154 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.666 38.8 -89.7 -82.2 139.3 44.1 5.8 39.2 55 55 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.027 43.0-144.6 -45.9 144.2 42.0 6.0 42.5 56 56 A W - 0 0 51 -42,-2.7 2,-0.4 2,-0.1 -40,-0.2 -0.644 10.7-117.2-106.6 169.6 41.9 9.3 44.3 57 57 A S S S+ 0 0 121 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.846 72.3 6.0-107.3 145.5 41.9 10.2 48.0 58 58 A G S S- 0 0 49 -2,-0.4 2,-0.7 2,-0.1 -42,-0.7 -0.262 107.4 -38.2 82.5-172.5 39.0 12.0 49.7 59 59 A V E -b 16 0A 48 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.827 57.3-142.3 -95.2 112.7 35.7 13.0 48.3 60 60 A L E -b 17 0A 40 -44,-2.7 -42,-2.2 -2,-0.7 2,-0.5 -0.600 18.9-124.4 -71.7 124.5 36.0 14.2 44.7 61 61 A D E +b 18 0A 78 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.605 31.4 177.3 -70.6 121.4 33.6 17.1 44.0 62 62 A A + 0 0 0 -44,-2.8 -29,-2.6 -2,-0.5 -42,-0.4 -0.342 45.1 109.3-120.3 49.0 31.4 16.2 41.0 63 63 A T B S+n 33 0C 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.420 71.1 48.3-106.8 -3.9 29.2 19.3 40.9 64 64 A T S S- 0 0 74 -31,-0.6 -1,-0.1 -3,-0.2 2,-0.0 -0.986 85.2-100.6-136.9 152.2 30.6 20.9 37.7 65 65 A F - 0 0 45 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.345 42.7-134.0 -61.1 145.5 31.4 20.0 34.1 66 66 A Q - 0 0 66 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.317 40.5 -49.2 -93.2-176.6 35.1 19.4 33.5 67 67 A N - 0 0 28 28,-0.3 2,-0.3 -2,-0.1 31,-0.2 -0.070 51.7-122.4 -52.6 148.4 37.3 20.6 30.6 68 68 A V E -p 92 0E 0 23,-2.5 25,-2.2 -3,-0.1 3,-0.1 -0.732 38.1 -98.2 -89.6 141.4 36.4 20.3 27.0 69 69 A a E -p 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.340 52.3 -86.5 -64.4 141.7 38.9 18.3 24.9 70 70 A Y S S+ 0 0 46 23,-1.0 83,-0.3 22,-0.1 2,-0.3 -0.228 71.2 147.0 -56.1 126.4 41.2 20.5 22.9 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.987 51.6 -79.4-159.4 158.9 39.6 21.5 19.6 72 72 A Y - 0 0 70 52,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.404 43.3-142.2 -59.8 139.6 39.0 23.9 16.7 73 73 A V - 0 0 58 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.953 19.7-113.2-114.1 127.9 36.5 26.7 17.7 74 74 A D + 0 0 22 -2,-0.5 13,-0.1 9,-0.1 9,-0.0 -0.344 36.6 168.7 -66.4 129.2 34.0 27.9 15.0 75 75 A T + 0 0 97 -2,-0.1 -1,-0.1 3,-0.1 8,-0.0 0.205 46.4 103.3-123.1 11.4 34.4 31.5 13.8 76 76 A L S S+ 0 0 69 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.926 96.1 18.3 -66.5 -47.2 32.1 31.6 10.8 77 77 A Y S > S- 0 0 30 3,-0.1 3,-1.8 4,-0.0 2,-0.3 -0.700 83.2-155.4-127.4 82.0 29.3 33.5 12.5 78 78 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.383 79.4 10.7 -65.0 117.6 30.6 35.3 15.6 79 79 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.3 3,-0.0 0.203 94.3 133.1 101.6 -12.4 27.8 35.9 18.2 80 80 A F X> - 0 0 28 -3,-1.8 4,-2.7 1,-0.1 3,-0.8 -0.591 51.9-149.0 -80.7 124.5 25.3 33.8 16.3 81 81 A E H 3> S+ 0 0 125 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.845 92.9 67.4 -57.6 -37.6 23.4 31.4 18.5 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.842 116.1 26.1 -57.9 -36.7 23.0 28.9 15.6 83 83 A T H X> S+ 0 0 2 -3,-0.8 3,-1.7 -6,-0.3 4,-0.5 0.801 115.2 62.5 -90.0 -38.0 26.8 28.2 15.8 84 84 A E H >< S+ 0 0 81 -4,-2.7 3,-1.6 1,-0.3 -3,-0.2 0.853 89.5 68.5 -63.0 -35.6 27.6 29.1 19.4 85 85 A M T 3< S+ 0 0 48 -4,-2.0 47,-0.3 1,-0.3 -1,-0.3 0.677 103.9 46.1 -56.4 -19.1 25.4 26.4 20.9 86 86 A W T <4 S+ 0 0 46 -3,-1.7 -1,-0.3 -5,-0.2 40,-0.2 0.569 93.6 100.2 -98.9 -13.4 27.9 23.8 19.5 87 87 A N S << S- 0 0 18 -3,-1.6 -14,-0.1 -4,-0.5 40,-0.0 -0.384 89.3 -79.8 -74.4 151.7 31.0 25.6 20.7 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.189 36.8-169.7 -48.9 135.6 33.0 24.6 23.8 89 89 A N + 0 0 63 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.152 68.8 47.2-119.5 13.7 31.4 25.9 27.0 90 90 A R S S- 0 0 108 1,-0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.924 105.1 -65.9-140.1 168.5 34.3 25.0 29.4 91 91 A E - 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0 0 7 -3,-2.1 -3,-0.1 -6,-0.2 2,-0.1 -0.397 61.0-135.1 -69.3 136.8 34.3 12.3 -7.7 366 371 A S > - 0 0 52 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.286 38.5 -96.6 -70.1 172.2 35.9 12.0 -11.2 367 372 A D H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.909 127.3 49.4 -59.0 -42.3 34.6 14.4 -13.8 368 373 A L H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 111.5 46.9 -63.7 -48.3 32.3 11.6 -15.1 369 374 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 111.5 53.1 -59.5 -43.9 30.9 10.8 -11.6 370 375 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.921 109.3 48.1 -55.5 -48.4 30.4 14.5 -11.0 371 376 A E H X S+ 0 0 51 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.884 107.3 55.6 -63.1 -38.9 28.4 14.8 -14.2 372 377 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.927 109.9 47.8 -56.5 -43.3 26.4 11.7 -13.3 373 378 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 112.5 47.5 -61.1 -51.0 25.5 13.5 -10.0 374 379 A V H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.885 113.4 48.3 -60.1 -40.3 24.6 16.8 -11.8 375 380 A L H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.906 112.0 48.8 -69.7 -41.4 22.5 15.0 -14.3 376 381 A H H < S+ 0 0 67 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 118.1 39.2 -62.8 -41.0 20.6 12.9 -11.7 377 382 A Y H < S+ 0 0 21 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.629 91.7 102.3 -90.0 -15.4 19.8 16.0 -9.5 378 383 A T S < S- 0 0 1 -4,-1.6 2,-0.8 -5,-0.2 6,-0.1 -0.399 71.1-133.3 -64.3 141.5 19.1 18.5 -12.3 379 384 A D > - 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