==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-13 3ZLV . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.ARTURSSON,P.O.ANDERSSON,C.AKFUR,A.LINUSSON,S.BORJEGREN,F.E . 1070 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 63.6 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 . 62 5.8 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 . 62 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 26.7 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 2 3 4 3 2 0 6 1 1 2 1 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 . 2 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 . 2 2 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 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 0.000 360.0 360.0 360.0-158.9 30.2 15.3 55.9 2 2 A G + 0 0 63 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.032 360.0 56.6 97.4 -30.8 27.4 15.2 58.4 3 3 A R S S+ 0 0 243 2,-0.1 2,-0.1 3,-0.0 -1,-0.0 0.361 96.1 86.4-107.4 0.9 26.2 18.7 57.5 4 4 A E S S- 0 0 70 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.382 95.0 -80.3 -99.0 173.6 25.7 17.8 53.8 5 5 A D > - 0 0 51 1,-0.2 3,-2.1 -2,-0.1 4,-0.1 -0.655 36.6-154.5 -76.8 110.3 22.9 16.3 51.7 6 6 A P G > S+ 0 0 105 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.653 89.1 65.2 -63.4 -16.1 23.2 12.6 52.3 7 7 A Q G 3 S+ 0 0 63 1,-0.2 100,-0.3 99,-0.0 -2,-0.1 0.542 97.2 57.0 -83.0 -2.6 21.6 11.8 49.0 8 8 A L G < S+ 0 0 16 -3,-2.1 11,-2.9 11,-0.1 2,-0.6 0.295 81.6 97.1-109.6 7.8 24.5 13.4 47.1 9 9 A L E < +A 18 0A 37 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.884 47.8 163.7-105.2 121.2 27.4 11.3 48.4 10 10 A V E -A 17 0A 10 7,-2.2 7,-3.5 -2,-0.6 2,-0.5 -0.965 28.3-140.8-135.8 149.5 28.5 8.3 46.3 11 11 A R E +A 16 0A 155 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.948 20.7 176.9-110.9 132.1 31.5 6.0 46.0 12 12 A V E > -A 15 0A 7 3,-3.2 3,-2.2 -2,-0.5 174,-0.1 -0.774 51.5 -85.1-120.6 171.7 32.9 4.8 42.7 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.721 128.8 46.5 -49.7 -26.8 35.9 2.6 42.0 14 14 A G T 3 S- 0 0 10 1,-0.3 42,-2.4 22,-0.1 2,-0.3 0.553 123.1 -81.7 -96.6 -10.1 38.2 5.7 42.1 15 15 A G E < -A 12 0A 6 -3,-2.2 -3,-3.2 40,-0.2 2,-0.3 -0.968 65.6 -23.1 147.4-158.3 36.8 7.2 45.3 16 16 A Q E -Ab 11 59A 60 42,-0.9 44,-3.0 -2,-0.3 2,-0.3 -0.682 47.9-163.9 -96.5 143.7 34.1 9.4 46.8 17 17 A L E -Ab 10 60A 1 -7,-3.5 -7,-2.2 -2,-0.3 2,-0.5 -0.930 13.4-152.0-124.3 146.6 32.0 11.9 45.0 18 18 A R E -Ab 9 61A 66 42,-2.1 44,-2.5 -2,-0.3 -9,-0.2 -0.979 24.0-171.1-114.6 116.9 29.8 14.8 46.0 19 19 A G - 0 0 3 -11,-2.9 2,-0.3 -2,-0.5 13,-0.2 -0.088 16.2-111.7 -90.9-165.5 27.0 15.5 43.5 20 20 A I E -C 31 0B 53 11,-2.4 11,-2.0 42,-0.2 2,-0.7 -0.988 11.3-126.3-137.5 141.3 24.4 18.3 43.2 21 21 A R E -C 30 0B 130 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.761 35.2-166.6 -83.8 117.4 20.7 18.7 43.6 22 22 A L E -C 29 0B 27 7,-2.9 7,-2.1 -2,-0.7 2,-0.6 -0.797 19.6-122.8-107.8 151.4 19.3 20.3 40.4 23 23 A K E +C 28 0B 134 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.804 30.4 177.5 -90.9 119.4 15.9 21.9 39.7 24 24 A A E > -C 27 0B 2 3,-1.7 3,-1.4 -2,-0.6 113,-0.1 -0.763 46.4 -99.1-107.2 166.7 14.1 20.3 36.8 25 25 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.0 0, 0.0 429,-0.0 0.893 121.7 35.7 -53.9 -45.6 10.5 21.5 35.9 26 26 A G T 3 S- 0 0 56 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.274 131.2 -52.4 -94.9 11.1 8.7 18.7 37.7 27 27 A G E < S-C 24 0B 12 -3,-1.4 -3,-1.7 2,-0.0 -1,-0.2 -0.829 75.3 -41.3 142.2 179.9 11.1 18.3 40.7 28 28 A P E -C 23 0B 34 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.350 43.1-168.6 -81.4 155.0 14.8 17.8 41.7 29 29 A V E -CD 22 104B 0 -7,-2.1 -7,-2.9 75,-0.2 2,-0.4 -0.926 23.4-114.2-133.7 162.1 17.4 15.5 40.1 30 30 A S E -CD 21 103B 0 73,-3.1 73,-2.3 -2,-0.3 2,-0.4 -0.812 30.1-170.9 -96.5 138.1 20.8 14.3 41.1 31 31 A A E -CD 20 102B 0 -11,-2.0 -11,-2.4 -2,-0.4 2,-0.6 -0.989 15.3-172.4-133.5 128.1 23.8 15.4 39.0 32 32 A F E - D 0 101B 0 69,-3.2 69,-2.2 -2,-0.4 2,-0.4 -0.908 23.7-173.4-117.4 100.0 27.4 14.2 39.2 33 33 A L E +m 63 0C 10 29,-2.7 31,-0.6 -2,-0.6 67,-0.2 -0.764 53.1 11.9-107.0 136.8 29.4 16.4 37.0 34 34 A G E + 0 0 3 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.902 68.5 172.2 73.3 42.1 33.0 16.2 35.9 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.2 -3,-0.4 -1,-0.2 -0.737 31.6-128.6 -81.7 119.2 33.9 12.7 37.1 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.471 32.7 171.2 -69.9 136.9 37.4 11.8 35.9 37 37 A F + 0 0 4 60,-1.6 16,-1.1 1,-0.2 2,-0.3 0.432 63.9 33.0-121.3 -5.4 37.5 8.4 34.1 38 38 A A B S-N 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.964 88.5 -94.4-142.0 159.2 41.0 8.6 32.7 39 39 A E - 0 0 17 12,-3.3 12,-0.4 -2,-0.3 14,-0.1 -0.561 65.9 -86.2 -63.9 136.4 44.4 9.9 33.6 40 40 A P - 0 0 31 0, 0.0 2,-2.1 0, 0.0 55,-0.2 -0.284 36.5-134.5 -49.8 124.1 44.7 13.3 31.9 41 41 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.304 62.5 126.9 -78.4 53.8 46.0 12.6 28.3 42 42 A V > + 0 0 57 -2,-2.1 3,-2.5 3,-0.2 2,-0.2 -0.562 55.9 1.8-111.2 171.9 48.6 15.3 28.5 43 43 A G G > S+ 0 0 48 1,-0.3 3,-1.0 2,-0.2 0, 0.0 -0.336 137.9 3.2 58.0-118.7 52.3 15.7 28.0 44 44 A S G 3 S+ 0 0 84 1,-0.2 -1,-0.3 -2,-0.2 224,-0.1 0.568 129.0 67.4 -75.2 -7.3 53.7 12.3 26.9 45 45 A R G X + 0 0 59 -3,-2.5 3,-2.6 -5,-0.1 -1,-0.2 0.692 69.7 117.0 -86.4 -20.5 50.2 10.9 26.9 46 46 A R T < S+ 0 0 13 -3,-1.0 -4,-0.1 1,-0.3 222,-0.1 -0.204 86.3 11.3 -51.5 136.3 49.0 13.1 23.9 47 47 A F T 3 S+ 0 0 1 109,-0.6 122,-0.5 1,-0.3 -1,-0.3 0.231 108.1 114.6 76.5 -12.5 48.0 10.8 21.0 48 48 A M S < S- 0 0 30 -3,-2.6 -1,-0.3 119,-0.1 3,-0.1 -0.557 77.6 -92.2 -88.9 152.4 48.2 7.8 23.3 49 49 A P - 0 0 49 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.164 55.1 -92.3 -50.5 152.9 45.3 5.5 24.4 50 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.470 33.2-145.7 -72.8 144.1 43.6 6.5 27.6 51 51 A E - 0 0 74 -12,-0.4 -12,-3.3 -2,-0.1 3,-0.1 -0.931 33.2 -95.7-106.6 135.1 44.9 5.0 30.9 52 52 A P B -N 38 0D 87 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.058 47.7 -94.6 -44.9 141.5 42.3 4.4 33.7 53 53 A K - 0 0 63 -16,-1.1 -14,-0.1 -15,-0.1 3,-0.1 -0.429 37.2-129.4 -63.4 127.3 41.9 7.1 36.3 54 54 A R - 0 0 151 -2,-0.2 -40,-0.1 -3,-0.1 -1,-0.1 -0.645 37.8 -93.8 -78.1 137.5 44.1 6.4 39.3 55 55 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.076 40.6-149.1 -54.5 148.2 42.0 6.6 42.6 56 56 A W - 0 0 52 -42,-2.4 2,-0.4 2,-0.1 -40,-0.1 -0.557 11.6-115.1-109.7 176.5 42.0 9.9 44.5 57 57 A S S S+ 0 0 116 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.893 70.7 6.9-116.7 148.7 41.6 10.7 48.2 58 58 A G S S- 0 0 49 -2,-0.4 -42,-0.9 2,-0.1 2,-0.8 -0.311 108.5 -33.4 79.9-167.5 38.8 12.5 50.0 59 59 A V E -b 16 0A 49 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.799 57.6-143.6 -97.6 107.3 35.6 13.6 48.4 60 60 A L E -b 17 0A 40 -44,-3.0 -42,-2.1 -2,-0.8 2,-0.6 -0.523 21.4-124.2 -66.9 127.7 35.9 14.6 44.8 61 61 A D E +b 18 0A 74 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.674 33.1 175.0 -78.1 120.9 33.6 17.5 44.0 62 62 A A + 0 0 0 -44,-2.5 -29,-2.7 -2,-0.6 -42,-0.2 -0.399 44.4 108.3-121.3 51.8 31.3 16.6 41.2 63 63 A T B S+m 33 0C 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.448 73.3 42.5-109.8 -3.8 29.1 19.7 41.1 64 64 A T S S- 0 0 83 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.1 -0.976 86.8 -94.2-143.5 155.2 30.3 21.4 37.9 65 65 A F - 0 0 36 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.393 40.9-134.5 -67.5 143.2 31.2 20.5 34.4 66 66 A Q - 0 0 67 1,-0.2 63,-0.1 -2,-0.1 -32,-0.1 -0.253 42.1 -52.0 -88.8-179.2 34.9 19.9 33.6 67 67 A N - 0 0 25 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.106 50.7-124.3 -50.8 146.4 37.1 21.2 30.8 68 68 A V E -o 92 0E 0 23,-2.1 25,-2.1 -3,-0.1 3,-0.1 -0.746 39.5 -95.0 -87.6 142.7 36.0 20.7 27.2 69 69 A a E -o 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.354 52.6 -87.5 -61.1 135.1 38.6 18.9 25.0 70 70 A Y + 0 0 51 23,-1.1 83,-0.3 -2,-0.1 2,-0.3 -0.113 69.8 150.7 -46.6 127.9 40.9 21.2 23.1 71 71 A Q - 0 0 6 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.994 50.3 -85.7-159.9 159.6 39.3 22.1 19.8 72 72 A Y - 0 0 76 52,-0.7 2,-0.5 -2,-0.3 52,-0.0 -0.479 41.1-143.7 -63.2 135.8 38.7 24.5 16.9 73 73 A V - 0 0 55 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.947 11.9-130.4-109.0 124.9 36.0 27.1 17.7 74 74 A D + 0 0 23 -2,-0.5 12,-0.0 9,-0.1 13,-0.0 -0.452 28.4 172.7 -67.1 139.7 33.7 28.1 14.8 75 75 A T + 0 0 104 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 -0.100 38.8 114.4-141.9 42.6 33.3 31.9 14.4 76 76 A L S S+ 0 0 78 1,-0.2 -2,-0.0 7,-0.0 -1,-0.0 0.946 89.0 26.3 -75.2 -50.6 31.4 32.3 11.2 77 77 A Y S > S- 0 0 35 3,-0.1 3,-1.7 4,-0.0 6,-0.4 -0.701 86.0-155.2-118.6 79.4 28.2 33.9 12.8 78 78 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.238 76.4 4.3 -55.5 130.6 29.3 35.6 16.1 79 79 A G T 3 S+ 0 0 72 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.507 95.3 131.3 72.0 3.2 26.6 36.0 18.7 80 80 A F X> - 0 0 26 -3,-1.7 4,-2.0 1,-0.2 3,-1.8 -0.816 54.2-149.4 -90.9 110.2 24.3 34.0 16.5 81 81 A E H 3> S+ 0 0 116 -2,-0.8 4,-2.3 1,-0.3 5,-0.2 0.814 89.7 75.8 -49.0 -35.5 22.7 31.4 18.7 82 82 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.852 114.8 17.3 -44.9 -46.3 22.4 29.2 15.6 83 83 A T H X4 S+ 0 0 1 -3,-1.8 3,-0.7 -6,-0.4 -1,-0.2 0.622 119.5 67.0-101.9 -17.8 26.1 28.4 15.7 84 84 A E H >< S+ 0 0 58 -4,-2.0 3,-2.3 1,-0.2 -3,-0.2 0.858 85.4 67.9 -73.5 -37.7 26.8 29.4 19.4 85 85 A M T 3< S+ 0 0 31 -4,-2.3 47,-0.3 1,-0.3 -1,-0.2 0.659 102.7 49.9 -58.6 -15.9 24.8 26.7 21.1 86 86 A W T < S+ 0 0 46 -3,-0.7 -1,-0.3 -5,-0.2 40,-0.2 0.506 89.6 106.1 -98.1 -8.2 27.4 24.3 19.7 87 87 A N S < S- 0 0 26 -3,-2.3 -14,-0.1 -4,-0.2 40,-0.0 -0.407 86.0 -84.9 -77.6 150.0 30.4 26.2 21.0 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.242 36.0-168.2 -52.5 132.3 32.5 25.1 24.0 89 89 A N + 0 0 51 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.254 67.5 45.7-112.3 10.5 30.9 26.3 27.2 90 90 A R S S- 0 0 109 1,-0.0 -23,-0.1 40,-0.0 -24,-0.1 -0.875 104.4 -61.5-139.9 175.2 33.8 25.5 29.6 91 91 A E - 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