==== 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 2JGI . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.HORNBERG,A.-K.TUNEMALM,F.EKSTROM . 1067 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 702 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 6.0 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 . 72 6.7 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 . 289 27.1 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 5 1 4 1 0 2 6 0 2 0 3 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 177 0, 0.0 2,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-143.8 30.0 14.8 55.1 2 2 A G + 0 0 64 2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.734 360.0 30.2 123.2 -78.9 27.6 15.8 57.9 3 3 A R S S+ 0 0 239 -2,-0.5 -1,-0.0 2,-0.1 0, 0.0 0.653 93.8 108.7 -86.9 -19.6 25.6 18.6 56.4 4 4 A E S S- 0 0 61 1,-0.2 -2,-0.2 2,-0.1 5,-0.1 -0.160 84.6 -92.0 -67.2 151.4 25.5 17.6 52.7 5 5 A D > - 0 0 52 1,-0.2 3,-1.4 3,-0.1 -1,-0.2 -0.495 36.0-145.9 -56.0 117.8 22.5 16.3 50.8 6 6 A P G > S+ 0 0 101 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.553 92.1 67.2 -68.9 -9.2 23.0 12.5 51.3 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.2 12,-0.0 -2,-0.1 0.583 97.2 56.3 -83.8 -7.4 21.5 11.8 47.8 8 8 A L G < S+ 0 0 18 -3,-1.4 11,-3.6 11,-0.1 2,-0.6 0.299 83.1 91.0-109.8 5.7 24.5 13.4 46.2 9 9 A L E < +A 18 0A 35 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.910 51.0 166.0-111.2 112.4 27.4 11.5 47.7 10 10 A V E -A 17 0A 10 7,-1.9 7,-3.3 -2,-0.6 2,-0.4 -0.930 26.6-141.4-129.7 147.5 28.5 8.4 45.7 11 11 A R E +A 16 0A 157 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.911 20.6 176.7-107.1 134.2 31.5 6.1 45.6 12 12 A V E > -A 15 0A 5 3,-3.1 3,-3.6 -2,-0.4 174,-0.1 -0.846 51.3 -86.0-126.2 169.5 33.1 4.7 42.5 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.715 129.8 50.5 -48.6 -27.3 36.2 2.5 41.9 14 14 A G T 3 S- 0 0 9 1,-0.3 42,-2.0 41,-0.1 2,-0.3 0.543 121.7 -99.8 -89.8 -9.2 38.4 5.6 41.9 15 15 A G E < -A 12 0A 7 -3,-3.6 -3,-3.1 40,-0.2 2,-0.3 -0.925 64.0 -4.0 131.3-153.6 36.9 6.9 45.2 16 16 A Q E -Ab 11 59A 66 42,-0.9 44,-2.7 -2,-0.3 2,-0.3 -0.618 48.3-173.3 -91.2 137.4 34.3 9.4 46.5 17 17 A L E -Ab 10 60A 1 -7,-3.3 -7,-1.9 -2,-0.3 2,-0.5 -0.935 13.3-153.7-122.7 148.3 32.3 11.9 44.4 18 18 A R E -Ab 9 61A 75 42,-2.8 44,-2.7 -2,-0.3 -9,-0.2 -0.988 22.4-168.4-119.5 121.1 29.9 14.7 45.5 19 19 A G - 0 0 5 -11,-3.6 2,-0.4 -2,-0.5 13,-0.2 -0.109 16.2-110.4 -96.5-166.9 27.2 15.6 42.9 20 20 A I E -C 31 0B 54 11,-2.5 11,-2.8 42,-0.3 2,-0.7 -0.987 13.7-131.0-135.3 136.4 24.7 18.4 42.4 21 21 A R E -C 30 0B 122 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.799 34.8-163.0 -84.5 114.3 20.9 18.5 42.7 22 22 A L E -C 29 0B 30 7,-3.1 7,-2.5 -2,-0.7 2,-0.6 -0.807 17.8-120.5-106.4 145.0 19.8 20.2 39.5 23 23 A K E +C 28 0B 133 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.721 31.7 179.9 -85.3 119.1 16.4 21.7 38.8 24 24 A A E > -C 27 0B 2 3,-1.7 3,-1.4 -2,-0.6 113,-0.0 -0.804 43.4 -99.3-106.1 161.0 14.6 20.2 35.8 25 25 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 112,-0.0 0.879 120.2 31.1 -42.7 -56.2 11.1 21.4 34.6 26 26 A G T 3 S- 0 0 58 1,-0.2 -3,-0.0 111,-0.0 111,-0.0 0.276 132.3 -44.6 -95.3 9.4 9.1 18.6 36.4 27 27 A G E < S-C 24 0B 9 -3,-1.4 -3,-1.7 2,-0.0 -1,-0.2 -0.886 77.8 -44.2 151.0-176.8 11.3 18.0 39.4 28 28 A P E -C 23 0B 34 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.381 42.4-167.2 -83.1 155.1 14.9 17.6 40.6 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-3.1 75,-0.2 2,-0.5 -0.939 21.1-119.5-133.4 160.7 17.7 15.4 39.1 30 30 A S E -CD 21 103B 0 73,-3.2 73,-2.6 -2,-0.3 2,-0.5 -0.886 27.3-170.4-103.0 125.0 21.1 14.2 40.2 31 31 A A E -CD 20 102B 0 -11,-2.8 -11,-2.5 -2,-0.5 2,-0.6 -0.963 15.1-175.1-117.6 124.6 24.1 15.3 38.2 32 32 A F E - D 0 101B 0 69,-3.1 69,-3.1 -2,-0.5 2,-0.4 -0.951 25.8-177.0-110.3 105.9 27.6 13.9 38.7 33 33 A L E +n 63 0C 10 29,-2.8 31,-0.6 -2,-0.6 67,-0.2 -0.874 51.1 14.6-114.1 136.9 29.7 16.1 36.3 34 34 A G E + 0 0 2 -2,-0.4 -1,-0.2 65,-0.4 66,-0.2 0.810 68.8 168.3 75.7 31.6 33.3 16.0 35.4 35 35 A I E - D 0 99B 0 64,-2.0 64,-3.1 -3,-0.3 2,-0.4 -0.628 36.7-124.6 -68.5 128.3 34.2 12.6 36.8 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.639 32.7 174.7 -75.4 131.8 37.7 11.6 35.6 37 37 A F + 0 0 4 60,-1.2 16,-0.7 -2,-0.4 2,-0.3 0.375 65.0 32.2-112.7 2.3 37.6 8.3 33.8 38 38 A A B S-O 52 0D 2 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.998 86.8 -93.7-158.6 149.5 41.2 8.4 32.7 39 39 A E - 0 0 19 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.446 65.8 -90.7 -61.8 130.4 44.7 9.7 33.5 40 40 A P - 0 0 33 0, 0.0 2,-2.4 0, 0.0 55,-0.2 -0.229 34.2-133.4 -52.8 123.6 45.1 13.0 31.8 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.126 60.8 131.0 -75.0 48.3 46.5 12.2 28.3 42 42 A V > - 0 0 66 -2,-2.4 3,-2.3 3,-0.1 226,-0.0 -0.438 56.0 -3.4 -97.3 170.4 49.1 15.0 28.6 43 43 A G G > S+ 0 0 43 1,-0.3 3,-2.2 2,-0.2 0, 0.0 -0.222 136.8 6.0 58.4-132.4 52.9 15.1 27.9 44 44 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.510 128.0 67.3 -60.1 -4.2 54.4 11.7 27.0 45 45 A R G X S+ 0 0 72 -3,-2.3 3,-1.8 -5,-0.1 -1,-0.3 0.542 70.6 118.7 -94.3 -10.1 50.8 10.4 27.0 46 46 A R T < S+ 0 0 11 -3,-2.2 -4,-0.1 1,-0.3 222,-0.1 -0.332 84.8 10.3 -62.5 136.4 49.7 12.5 23.9 47 47 A F T 3 S+ 0 0 1 109,-0.4 122,-0.5 1,-0.3 -1,-0.3 0.284 108.0 118.4 76.3 -8.1 48.6 10.3 21.0 48 48 A M S < S- 0 0 21 -3,-1.8 -1,-0.3 -7,-0.1 3,-0.1 -0.589 75.3 -95.1 -94.6 152.1 48.7 7.3 23.4 49 49 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.205 54.1 -94.4 -58.6 151.8 45.8 5.1 24.4 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.414 30.5-145.8 -72.6 146.0 44.1 6.1 27.7 51 51 A E - 0 0 99 -12,-0.4 -12,-2.7 -3,-0.1 3,-0.1 -0.924 35.2 -96.1-101.8 135.8 45.2 4.6 31.0 52 52 A P B -O 38 0D 89 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.165 49.7 -93.9 -46.3 142.7 42.5 4.2 33.6 53 53 A K - 0 0 65 -16,-0.7 3,-0.1 -15,-0.1 -15,-0.0 -0.455 38.6-123.4 -68.8 125.9 42.3 7.0 36.2 54 54 A R - 0 0 156 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.542 40.5 -91.6 -73.8 133.2 44.3 6.2 39.3 55 55 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.090 43.4-149.8 -49.7 137.5 42.1 6.4 42.5 56 56 A W - 0 0 47 -42,-2.0 2,-0.3 2,-0.1 -40,-0.2 -0.532 12.4-115.1-100.4 170.7 42.0 9.8 44.2 57 57 A S + 0 0 117 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.834 69.1 3.2-111.7 155.1 41.6 10.6 47.8 58 58 A G S S- 0 0 43 -2,-0.3 -42,-0.9 2,-0.1 2,-0.4 -0.354 107.0 -31.7 75.6-158.8 38.8 12.4 49.6 59 59 A V E -b 16 0A 52 -44,-0.1 2,-0.5 -2,-0.1 -42,-0.2 -0.807 54.1-142.3-101.4 133.8 35.7 13.7 47.9 60 60 A L E -b 17 0A 50 -44,-2.7 -42,-2.8 -2,-0.4 2,-0.9 -0.810 19.8-125.1 -92.8 130.4 35.8 14.8 44.3 61 61 A D E +b 18 0A 84 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.1 -0.687 34.4 173.2 -74.5 108.4 33.6 17.8 43.4 62 62 A A + 0 0 0 -44,-2.7 -29,-2.8 -2,-0.9 -42,-0.3 -0.376 45.0 104.9-113.1 52.4 31.5 16.5 40.6 63 63 A T B S+n 33 0C 30 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.500 72.9 48.5-112.2 -11.3 29.2 19.5 40.3 64 64 A T S S- 0 0 71 -31,-0.6 -1,-0.1 -3,-0.3 2,-0.0 -0.983 85.4-101.5-135.7 148.5 30.6 21.1 37.2 65 65 A F - 0 0 31 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.314 42.2-135.6 -59.6 143.8 31.5 20.1 33.6 66 66 A Q - 0 0 63 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.250 39.0 -49.3 -93.1-174.4 35.2 19.7 33.1 67 67 A N - 0 0 25 28,-0.3 2,-0.3 23,-0.1 -1,-0.2 -0.131 51.3-124.6 -58.2 150.3 37.5 20.9 30.3 68 68 A V E -p 92 0E 0 23,-2.4 25,-2.0 1,-0.1 3,-0.1 -0.733 38.1 -94.6 -93.7 143.0 36.7 20.2 26.7 69 69 A a E -p 93 0E 2 57,-0.4 25,-0.2 -2,-0.3 57,-0.2 -0.284 54.2 -86.2 -61.7 145.1 39.4 18.4 24.7 70 70 A Y S S+ 0 0 51 23,-0.6 83,-0.3 22,-0.1 2,-0.3 -0.306 71.5 149.2 -60.0 123.5 41.7 20.6 22.8 71 71 A Q - 0 0 3 -3,-0.1 2,-0.3 83,-0.1 54,-0.1 -0.964 51.1 -81.8-150.4 164.3 40.0 21.4 19.5 72 72 A Y - 0 0 72 52,-0.8 2,-0.5 -2,-0.3 82,-0.0 -0.560 41.0-138.9 -68.3 128.7 39.5 24.0 16.7 73 73 A V - 0 0 63 -2,-0.3 2,-0.2 14,-0.1 14,-0.1 -0.826 19.2-123.6 -92.8 127.6 37.0 26.7 17.5 74 74 A D + 0 0 16 -2,-0.5 13,-0.0 9,-0.1 9,-0.0 -0.455 34.5 168.1 -70.7 138.3 34.7 27.6 14.7 75 75 A T + 0 0 94 -2,-0.2 -1,-0.1 3,-0.1 9,-0.0 0.100 39.9 115.4-138.4 19.9 34.6 31.3 13.7 76 76 A L S S+ 0 0 68 1,-0.3 -2,-0.0 7,-0.0 -1,-0.0 0.935 94.3 18.4 -53.7 -49.3 32.7 31.2 10.4 77 77 A Y S > S- 0 0 31 3,-0.1 3,-1.4 265,-0.0 6,-0.3 -0.726 83.5-152.0-131.8 84.4 29.9 33.2 11.9 78 78 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.223 81.4 12.0 -48.8 135.5 30.8 35.1 15.1 79 79 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 2,-0.1 -4,-0.0 0.074 93.6 134.6 81.8 -21.8 28.0 35.8 17.6 80 80 A F X> - 0 0 24 -3,-1.4 4,-2.8 1,-0.2 3,-1.7 -0.468 49.1-155.5 -76.5 110.2 25.7 33.4 15.7 81 81 A E H 3> S+ 0 0 131 -2,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.807 91.0 70.4 -44.4 -33.8 23.8 30.9 17.9 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.846 116.3 18.6 -60.6 -36.0 23.7 28.6 14.9 83 83 A T H X4 S+ 0 0 2 -3,-1.7 3,-1.5 -6,-0.3 4,-0.5 0.775 118.8 62.5-101.6 -37.1 27.3 27.8 15.1 84 84 A E H >< S+ 0 0 78 -4,-2.8 3,-1.6 1,-0.3 -3,-0.2 0.824 89.2 72.0 -61.5 -33.1 28.2 28.9 18.7 85 85 A M T 3< S+ 0 0 37 -4,-1.9 47,-0.3 -5,-0.3 -1,-0.3 0.771 102.5 43.5 -55.0 -26.9 25.9 26.2 20.1 86 86 A W T < S+ 0 0 25 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.561 94.3 105.0 -92.0 -12.0 28.4 23.6 19.0 87 87 A N S < S- 0 0 18 -3,-1.6 -14,-0.1 -4,-0.5 40,-0.0 -0.352 87.4 -81.8 -74.3 150.8 31.4 25.5 20.2 88 88 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.172 36.2-167.8 -48.7 138.4 33.3 24.5 23.4 89 89 A N + 0 0 51 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.076 68.6 45.8-122.6 17.9 31.7 25.8 26.5 90 90 A R S S- 0 0 111 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.884 103.7 -62.8-140.9-179.9 34.5 25.1 28.9 91 91 A E - 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