==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-07 2JGM . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.HORNBERG,A.-K.TUNEMALM,F.EKSTROM . 1065 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 6.1 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 . 68 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 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 8 3 1 5 1 1 1 6 0 3 1 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 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 . 4 0 1 5 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 0 173 0, 0.0 2,-1.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -73.5 30.7 14.9 55.4 2 2 A G + 0 0 76 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.420 360.0 32.2 68.6 -85.8 28.4 15.9 58.2 3 3 A R S S+ 0 0 242 -2,-1.6 -1,-0.2 2,-0.1 0, 0.0 0.528 92.8 104.8 -89.6 -9.8 26.3 18.8 56.9 4 4 A E S S- 0 0 63 -3,-0.5 5,-0.1 1,-0.1 -2,-0.0 -0.166 86.1 -85.7 -69.7 162.8 26.0 18.0 53.1 5 5 A D > - 0 0 52 1,-0.2 3,-1.6 3,-0.1 -1,-0.1 -0.595 36.9-147.8 -63.2 117.7 23.0 16.6 51.3 6 6 A P G > S+ 0 0 102 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.678 92.8 67.7 -66.3 -16.0 23.4 12.8 51.8 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.3 99,-0.0 -2,-0.1 0.500 97.9 54.0 -80.0 -0.9 21.8 12.2 48.4 8 8 A L G < S+ 0 0 15 -3,-1.6 11,-3.1 11,-0.1 2,-0.5 0.132 82.2 90.2-125.1 14.8 24.8 13.7 46.6 9 9 A L E < +A 18 0A 31 -3,-0.8 2,-0.3 9,-0.2 9,-0.2 -0.980 49.5 163.7-115.3 117.9 27.8 11.8 48.0 10 10 A V E -A 17 0A 10 7,-1.6 7,-2.9 -2,-0.5 2,-0.4 -0.931 27.3-137.8-128.0 154.3 28.7 8.7 45.9 11 11 A R E -A 16 0A 153 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.965 19.0-178.8-114.1 133.1 31.8 6.5 45.8 12 12 A V E > -A 15 0A 5 3,-3.3 3,-2.3 -2,-0.4 174,-0.1 -0.725 48.8 -89.0-115.7 173.3 33.4 5.2 42.7 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.2 169,-0.0 0.822 128.6 51.7 -53.0 -34.7 36.5 2.9 42.2 14 14 A G T 3 S- 0 0 9 1,-0.2 42,-2.0 41,-0.1 2,-0.3 0.640 122.8 -96.2 -76.0 -14.5 38.7 6.0 42.1 15 15 A G E < -A 12 0A 6 -3,-2.3 -3,-3.3 40,-0.2 2,-0.4 -0.968 64.8 -8.8 137.2-153.9 37.2 7.4 45.3 16 16 A Q E -Ab 11 59A 63 42,-0.9 44,-4.1 -2,-0.3 2,-0.3 -0.738 47.7-170.5 -98.1 129.6 34.6 9.9 46.6 17 17 A L E -Ab 10 60A 1 -7,-2.9 -7,-1.6 -2,-0.4 2,-0.5 -0.829 12.2-152.0-108.2 149.7 32.6 12.3 44.5 18 18 A R E -Ab 9 61A 70 42,-2.2 44,-2.4 -2,-0.3 -9,-0.2 -0.975 23.0-166.8-119.3 120.1 30.3 15.1 45.6 19 19 A G - 0 0 5 -11,-3.1 2,-0.4 -2,-0.5 13,-0.2 -0.044 15.0-113.9 -92.2-169.6 27.5 15.9 43.2 20 20 A I E -C 31 0B 55 11,-2.7 11,-2.8 42,-0.3 2,-0.9 -0.997 11.3-134.9-136.3 131.7 24.9 18.6 42.7 21 21 A R E -C 30 0B 128 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.801 34.8-165.9 -84.3 106.1 21.1 18.7 43.0 22 22 A L E -C 29 0B 30 7,-2.0 7,-2.5 -2,-0.9 2,-0.4 -0.658 19.1-114.3 -95.9 154.1 20.1 20.5 39.9 23 23 A K E -C 28 0B 131 -2,-0.3 113,-0.1 5,-0.2 3,-0.1 -0.721 31.7-175.2 -91.7 130.8 16.7 22.0 39.2 24 24 A A E > -C 27 0B 2 3,-1.7 3,-1.8 -2,-0.4 113,-0.0 -0.864 41.3 -98.7-118.5 159.0 14.7 20.5 36.3 25 25 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.890 120.9 25.5 -41.3 -58.0 11.3 21.8 35.0 26 26 A G T 3 S- 0 0 58 1,-0.1 -3,-0.0 -3,-0.1 111,-0.0 -0.035 133.5 -36.7-103.7 31.4 9.2 19.2 36.9 27 27 A G E < S-C 24 0B 13 -3,-1.8 -3,-1.7 2,-0.0 2,-0.2 -0.810 78.1 -52.3 141.8 179.6 11.5 18.4 39.9 28 28 A P E -C 23 0B 33 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.519 39.1-167.3 -90.9 154.2 15.2 17.9 40.9 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.0 75,-0.2 2,-0.5 -0.897 22.1-118.9-126.9 162.3 17.9 15.7 39.4 30 30 A S E -CD 21 103B 0 73,-3.4 73,-2.6 -2,-0.3 2,-0.4 -0.886 27.7-170.2 -99.1 134.4 21.3 14.6 40.6 31 31 A A E -CD 20 102B 0 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.6 -0.991 15.4-173.9-124.1 128.1 24.3 15.6 38.6 32 32 A F E - D 0 101B 0 69,-3.0 69,-3.1 -2,-0.4 2,-0.4 -0.944 26.9-174.0-112.7 103.6 27.9 14.3 39.0 33 33 A L E +n 63 0C 9 29,-2.7 31,-0.7 -2,-0.6 67,-0.2 -0.834 51.3 12.8-111.0 136.7 29.8 16.4 36.6 34 34 A G E + 0 0 2 -2,-0.4 66,-0.2 65,-0.3 -1,-0.2 0.838 68.7 170.8 73.9 34.3 33.5 16.2 35.5 35 35 A I E - D 0 99B 0 64,-2.4 64,-3.0 -3,-0.3 2,-0.3 -0.664 34.1-125.4 -71.0 123.8 34.4 12.9 37.0 36 36 A P E + D 0 98B 7 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.555 32.9 173.6 -77.3 133.4 37.9 11.9 35.7 37 37 A F + 0 0 4 60,-1.6 16,-0.8 -2,-0.3 2,-0.3 0.385 62.7 35.4-116.1 -0.0 38.1 8.6 34.0 38 38 A A B S-O 52 0D 4 59,-0.9 -1,-0.1 14,-0.3 59,-0.1 -0.989 86.8 -94.3-151.1 157.1 41.6 8.7 32.8 39 39 A E - 0 0 15 12,-3.2 12,-0.4 -2,-0.3 14,-0.1 -0.510 65.7 -90.4 -67.4 136.5 45.1 10.0 33.6 40 40 A P - 0 0 32 0, 0.0 2,-2.3 0, 0.0 5,-0.2 -0.338 34.8-132.9 -57.0 126.8 45.4 13.3 31.9 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.211 60.8 130.0 -76.7 53.4 46.7 12.6 28.4 42 42 A V > - 0 0 64 -2,-2.3 3,-2.7 3,-0.1 226,-0.0 -0.531 55.9 -5.6-104.4 170.9 49.4 15.3 28.6 43 43 A G G > S+ 0 0 44 1,-0.3 3,-2.3 2,-0.2 0, 0.0 -0.230 136.2 9.1 55.8-129.4 53.1 15.7 28.0 44 44 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 224,-0.1 0.710 127.9 64.6 -53.2 -20.5 54.7 12.3 27.2 45 45 A R G X S+ 0 0 77 -3,-2.7 3,-1.9 -5,-0.2 -1,-0.3 0.532 71.5 124.1 -86.2 -5.3 51.1 10.9 27.0 46 46 A R T < S+ 0 0 8 -3,-2.3 -4,-0.1 1,-0.3 222,-0.1 -0.230 81.1 9.8 -56.4 139.3 50.0 12.9 23.9 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.384 108.7 116.3 73.7 -4.1 48.8 10.8 21.0 48 48 A M S < S- 0 0 35 -3,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.603 75.7 -87.4-102.1 156.2 48.8 7.7 23.3 49 49 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.094 54.7 -98.0 -50.5 153.6 46.1 5.4 24.6 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.568 30.4-144.5 -78.8 144.4 44.4 6.6 27.7 51 51 A E - 0 0 91 -12,-0.4 -12,-3.2 -2,-0.2 3,-0.1 -0.899 32.0 -97.2-101.9 140.5 45.4 5.1 31.1 52 52 A P B -O 38 0D 89 0, 0.0 2,-0.4 0, 0.0 -14,-0.3 -0.150 49.5 -94.0 -52.9 147.3 42.8 4.5 33.8 53 53 A K - 0 0 65 -16,-0.8 3,-0.1 -15,-0.1 -14,-0.0 -0.501 36.3-126.2 -72.5 120.6 42.5 7.3 36.4 54 54 A R - 0 0 153 -2,-0.4 -1,-0.1 1,-0.1 -40,-0.1 -0.451 40.2 -91.9 -65.8 134.7 44.6 6.7 39.5 55 55 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.070 41.3-150.1 -52.8 143.9 42.5 7.0 42.7 56 56 A W - 0 0 44 -42,-2.0 2,-0.3 2,-0.1 -40,-0.2 -0.675 10.6-121.0-107.2 164.4 42.3 10.4 44.5 57 57 A S + 0 0 121 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.803 69.3 13.2-112.0 159.4 41.9 11.2 48.1 58 58 A G S S- 0 0 45 -2,-0.3 -42,-0.9 2,-0.1 2,-0.6 -0.410 109.4 -39.5 78.0-162.5 39.2 13.1 49.9 59 59 A V E -b 16 0A 58 -2,-0.1 2,-0.3 -44,-0.1 -42,-0.2 -0.895 55.3-140.2-103.2 119.6 36.0 14.0 48.1 60 60 A L E -b 17 0A 44 -44,-4.1 -42,-2.2 -2,-0.6 2,-0.9 -0.576 21.1-124.3 -69.6 137.6 36.3 15.1 44.5 61 61 A D E +b 18 0A 77 -2,-0.3 3,-0.3 -44,-0.2 2,-0.3 -0.791 32.7 175.6 -87.5 110.3 33.9 17.9 43.7 62 62 A A + 0 0 0 -44,-2.4 -29,-2.7 -2,-0.9 -42,-0.3 -0.418 45.7 105.7-110.5 56.2 31.8 16.8 40.8 63 63 A T B S+n 33 0C 32 -2,-0.3 2,-0.3 -31,-0.2 -1,-0.2 0.470 72.5 49.3-114.5 -7.9 29.5 19.8 40.6 64 64 A T S S- 0 0 72 -31,-0.7 -1,-0.1 -3,-0.3 2,-0.1 -0.973 85.6-101.9-134.6 151.2 30.8 21.5 37.4 65 65 A F - 0 0 36 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.405 43.2-131.1 -64.5 144.2 31.7 20.5 33.9 66 66 A Q - 0 0 65 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.259 38.9 -53.3 -89.7 178.6 35.4 20.1 33.3 67 67 A N - 0 0 27 28,-0.2 2,-0.4 1,-0.1 31,-0.2 -0.072 53.3-123.3 -46.3 150.1 37.8 21.3 30.6 68 68 A V E -p 92 0E 0 23,-2.9 25,-2.1 -3,-0.1 3,-0.1 -0.834 36.0 -96.2-101.5 137.0 36.9 20.7 27.0 69 69 A a E -p 93 0E 1 -2,-0.4 25,-0.2 57,-0.3 57,-0.2 -0.168 54.6 -83.7 -55.4 145.3 39.5 18.8 24.9 70 70 A Y S S+ 0 0 49 23,-0.5 83,-0.3 22,-0.1 2,-0.3 -0.261 70.4 154.4 -56.6 124.0 41.8 21.0 22.8 71 71 A Q - 0 0 3 -3,-0.1 2,-0.3 81,-0.1 54,-0.1 -0.967 49.0 -87.9-149.6 165.8 40.0 21.9 19.6 72 72 A Y - 0 0 78 52,-0.9 2,-0.6 -2,-0.3 52,-0.0 -0.588 42.1-138.0 -71.2 130.3 39.6 24.3 16.7 73 73 A V - 0 0 58 -2,-0.3 2,-0.2 14,-0.1 14,-0.1 -0.844 16.1-124.2 -99.2 120.8 37.0 27.1 17.6 74 74 A D + 0 0 21 -2,-0.6 13,-0.1 9,-0.1 12,-0.0 -0.392 35.4 166.7 -63.7 127.9 34.6 28.0 14.8 75 75 A T + 0 0 99 -2,-0.2 -1,-0.1 3,-0.1 -2,-0.0 -0.023 39.1 113.1-132.8 29.0 34.7 31.7 13.9 76 76 A L S S+ 0 0 72 1,-0.2 -1,-0.1 4,-0.0 -2,-0.0 0.905 93.1 23.3 -64.6 -40.0 32.8 31.8 10.6 77 77 A Y S > S- 0 0 34 3,-0.1 3,-2.4 4,-0.0 6,-0.3 -0.526 81.9-152.8-133.7 71.5 29.9 33.8 12.3 78 78 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.040 83.6 10.0 -32.8 129.8 31.0 35.7 15.5 79 79 A G T 3 S+ 0 0 75 1,-0.2 2,-0.6 2,-0.1 3,-0.1 0.268 93.1 138.2 77.6 -9.7 28.1 36.2 17.9 80 80 A F X> - 0 0 24 -3,-2.4 4,-2.7 1,-0.2 3,-2.0 -0.568 46.4-155.4 -81.4 114.6 25.8 33.8 16.0 81 81 A E H 3> S+ 0 0 115 -2,-0.6 4,-2.2 1,-0.3 5,-0.2 0.898 91.8 67.2 -49.4 -43.5 23.8 31.5 18.2 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.708 116.7 22.8 -52.9 -25.6 23.6 29.0 15.3 83 83 A T H X> S+ 0 0 2 -3,-2.0 3,-1.4 -6,-0.3 4,-0.6 0.730 117.3 59.1-111.2 -34.5 27.3 28.4 15.5 84 84 A E H >< S+ 0 0 74 -4,-2.7 3,-0.5 1,-0.3 -3,-0.2 0.780 90.0 74.1 -68.2 -27.0 28.3 29.3 19.1 85 85 A M T 3< S+ 0 0 37 -4,-2.2 47,-0.3 -5,-0.3 -1,-0.3 0.717 104.7 39.6 -58.9 -16.3 25.8 26.7 20.5 86 86 A W T <4 S+ 0 0 44 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.592 94.4 103.4-107.4 -18.3 28.4 24.1 19.3 87 87 A N S << S- 0 0 16 -4,-0.6 -14,-0.1 -3,-0.5 40,-0.1 -0.269 89.4 -77.3 -63.4 152.0 31.6 26.0 20.3 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.137 39.1-167.8 -48.8 146.0 33.5 25.0 23.5 89 89 A N + 0 0 56 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.108 67.0 46.9-128.1 14.8 31.8 26.2 26.7 90 90 A R S S- 0 0 104 1,-0.0 -23,-0.1 40,-0.0 -22,-0.1 -0.919 105.2 -62.6-142.9 169.2 34.6 25.5 29.1 91 91 A E - 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