==== 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 4B84 . 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) . 37997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 9.1 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 . 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 . 57 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.4 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 . 16 1.5 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 4 2 3 1 5 0 2 1 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 4 2 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 0 169 0, 0.0 4,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 176.4 30.8 14.3 55.3 2 2 A G + 0 0 73 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.001 360.0 44.2 141.7 -30.2 28.1 14.7 57.9 3 3 A R S S+ 0 0 105 2,-0.1 2,-0.0 3,-0.0 0, 0.0 0.373 93.5 91.5-122.4 0.3 26.2 17.9 57.1 4 4 A E S S- 0 0 70 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.094 95.3 -71.2 -80.6-175.8 25.9 17.4 53.3 5 5 A D > - 0 0 40 1,-0.1 3,-2.0 3,-0.1 4,-0.1 -0.739 37.1-150.6 -79.5 115.7 23.0 15.8 51.3 6 6 A P T 3 S+ 0 0 102 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.525 94.3 62.9 -66.2 0.6 23.3 12.1 52.0 7 7 A Q T 3 S+ 0 0 74 1,-0.2 100,-0.3 12,-0.0 -2,-0.0 0.364 96.9 53.9-106.3 2.8 21.8 11.6 48.5 8 8 A L S < S+ 0 0 17 -3,-2.0 11,-3.2 11,-0.1 2,-0.6 0.138 86.8 93.9-121.3 13.6 24.6 13.2 46.6 9 9 A L E +A 18 0A 30 -3,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.944 48.2 157.8-115.8 112.5 27.4 11.1 48.0 10 10 A V E -A 17 0A 9 7,-1.8 7,-3.9 -2,-0.6 2,-0.4 -0.923 30.3-135.9-130.3 153.7 28.4 8.0 46.0 11 11 A R E -A 16 0A 153 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.922 20.4-178.7-110.7 141.6 31.5 5.7 45.8 12 12 A V E > -A 15 0A 8 3,-2.8 3,-1.3 -2,-0.4 174,-0.1 -0.737 49.3 -87.9-125.7 175.0 33.0 4.4 42.5 13 13 A R T 3 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.2 169,-0.0 0.813 129.1 49.2 -56.0 -26.3 36.0 2.2 41.8 14 14 A G T 3 S- 0 0 12 1,-0.3 42,-2.8 41,-0.1 2,-0.3 0.647 123.2 -85.4 -88.5 -16.5 38.2 5.3 41.8 15 15 A G E < -A 12 0A 6 -3,-1.3 -3,-2.8 40,-0.2 -1,-0.3 -0.924 65.7 -21.8 145.0-165.4 36.9 6.8 45.1 16 16 A Q E -Ab 11 59A 57 42,-0.6 44,-3.0 -2,-0.3 2,-0.4 -0.578 50.6-163.4 -83.6 138.7 34.2 8.9 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.9 -7,-1.8 -2,-0.3 2,-0.5 -0.912 12.1-157.5-115.4 147.1 32.1 11.4 44.7 18 18 A R E -Ab 9 61A 65 42,-2.3 44,-3.0 -2,-0.4 -9,-0.2 -0.983 23.1-174.7-118.1 117.6 30.0 14.3 45.7 19 19 A G - 0 0 4 -11,-3.2 2,-0.4 -2,-0.5 13,-0.2 -0.144 19.5-107.4 -95.9-164.3 27.4 15.2 43.1 20 20 A I E -C 31 0B 53 11,-3.7 11,-2.5 42,-0.3 2,-0.8 -0.984 11.7-131.5-136.3 137.6 24.8 17.9 42.8 21 21 A R E -C 30 0B 123 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.788 34.2-167.3 -86.7 111.5 21.0 18.1 43.1 22 22 A L E -C 29 0B 28 7,-2.9 7,-2.5 -2,-0.8 2,-0.4 -0.680 16.6-122.1 -99.8 156.9 19.8 20.1 40.1 23 23 A K E +C 28 0B 172 -2,-0.2 113,-0.1 5,-0.2 3,-0.0 -0.806 28.0 178.2 -96.0 134.5 16.4 21.5 39.4 24 24 A A E > -C 27 0B 12 3,-1.7 3,-1.8 -2,-0.4 432,-0.1 -0.922 47.7 -94.9-125.0 161.4 14.3 20.6 36.4 25 25 A P T 3 S+ 0 0 76 0, 0.0 431,-0.0 0, 0.0 112,-0.0 0.810 124.9 34.8 -38.5 -42.9 10.8 21.8 35.5 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.516 128.6 -55.1 -98.8 -7.0 9.2 18.7 37.1 27 27 A G E < S-C 24 0B 17 -3,-1.8 -3,-1.7 2,-0.0 -1,-0.3 -0.928 71.5 -41.0 154.2 178.5 11.5 18.1 40.0 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.6 0, 0.0 2,-0.3 -0.387 42.8-166.2 -73.9 150.9 15.1 17.5 41.2 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.9 75,-0.2 2,-0.5 -0.956 22.3-118.9-132.8 155.4 17.7 15.3 39.6 30 30 A S E -CD 21 103B 0 73,-3.4 73,-2.2 -2,-0.3 2,-0.4 -0.792 32.6-173.3 -91.2 130.4 21.1 13.9 40.8 31 31 A A E -CD 20 102B 0 -11,-2.5 -11,-3.7 -2,-0.5 2,-0.5 -0.991 15.5-174.4-131.5 133.1 24.0 15.0 38.7 32 32 A F E - D 0 101B 0 69,-3.1 69,-3.0 -2,-0.4 2,-0.4 -0.985 20.0-174.4-123.0 117.5 27.6 13.9 38.9 33 33 A L E +n 63 0C 12 29,-2.6 31,-0.6 -2,-0.5 67,-0.2 -0.899 54.3 16.6-129.3 139.5 29.9 15.9 36.6 34 34 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.2 66,-0.2 0.886 67.3 171.2 67.3 39.2 33.5 15.7 35.6 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.8 -3,-0.3 2,-0.3 -0.744 31.5-132.9 -78.3 110.4 34.0 12.1 36.9 36 36 A P E + D 0 98B 6 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.478 31.6 172.4 -68.9 127.5 37.5 11.2 35.6 37 37 A F + 0 0 4 60,-1.1 16,-0.8 -2,-0.3 2,-0.3 0.336 63.2 33.5-117.2 4.8 37.7 7.8 33.9 38 38 A A B S-O 52 0D 3 59,-0.7 -1,-0.1 14,-0.3 59,-0.1 -0.984 90.0 -92.2-153.9 155.8 41.2 7.8 32.5 39 39 A E - 0 0 17 12,-3.9 12,-0.4 -2,-0.3 14,-0.1 -0.572 64.6 -86.1 -70.4 137.7 44.6 9.2 33.4 40 40 A P - 0 0 23 0, 0.0 2,-2.6 0, 0.0 55,-0.2 -0.226 37.5-134.8 -49.3 118.4 45.0 12.7 31.7 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.285 59.7 130.5 -78.4 58.6 46.3 11.9 28.2 42 42 A V > - 0 0 55 -2,-2.6 3,-2.6 4,-0.1 4,-0.2 -0.454 52.8 -0.8-109.5 178.5 48.9 14.7 28.4 43 43 A G G > S+ 0 0 45 1,-0.3 3,-2.1 2,-0.2 0, 0.0 -0.190 134.5 3.5 44.8-124.2 52.6 15.0 27.7 44 44 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.1 226,-0.1 0.463 129.1 63.9 -70.3 -5.0 54.2 11.8 26.6 45 45 A R G X S+ 0 0 61 -3,-2.6 3,-1.8 -5,-0.1 -1,-0.3 0.406 72.6 121.0 -94.2 -2.0 50.7 10.1 26.6 46 46 A R T < S+ 0 0 12 -3,-2.1 -4,-0.1 1,-0.3 224,-0.1 -0.469 84.4 12.8 -61.3 135.4 49.5 12.4 23.9 47 47 A F T 3 S+ 0 0 3 109,-0.5 122,-0.4 1,-0.3 -1,-0.3 0.216 107.3 118.2 79.6 -12.5 48.4 10.2 20.9 48 48 A M S < S- 0 0 38 -3,-1.8 -1,-0.3 119,-0.1 3,-0.1 -0.511 76.5 -92.4 -86.3 154.4 48.5 7.1 23.2 49 49 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.287 58.7 -90.9 -56.5 144.4 45.6 4.8 24.1 50 50 A P - 0 0 24 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.410 31.6-142.6 -69.3 137.3 44.0 5.9 27.4 51 51 A E - 0 0 91 -12,-0.4 -12,-3.9 -2,-0.1 3,-0.1 -0.843 33.0-102.9 -91.4 133.5 45.2 4.6 30.7 52 52 A P B -O 38 0D 90 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.299 47.1 -94.3 -55.1 134.0 42.4 3.9 33.2 53 53 A K - 0 0 65 -16,-0.8 -14,-0.1 1,-0.1 3,-0.1 -0.195 37.1-125.0 -56.1 137.2 42.2 6.6 35.9 54 54 A R - 0 0 145 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.697 36.3 -93.0 -90.6 135.9 44.1 5.9 39.1 55 55 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 0.041 41.9-149.3 -47.6 147.1 42.1 6.0 42.4 56 56 A W - 0 0 50 -42,-2.8 2,-0.3 2,-0.1 -40,-0.2 -0.715 9.0-119.1-114.2 168.4 42.0 9.3 44.3 57 57 A S S S+ 0 0 116 -2,-0.2 -42,-0.0 -42,-0.1 -43,-0.0 -0.792 71.0 16.4-106.5 154.0 41.7 10.1 48.0 58 58 A G S S- 0 0 52 -2,-0.3 2,-0.6 2,-0.1 -42,-0.6 -0.081 105.1 -49.2 78.8 175.6 39.0 12.2 49.6 59 59 A V E -b 16 0A 49 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.783 57.5-139.0 -86.1 119.0 35.6 13.0 48.2 60 60 A L E -b 17 0A 42 -44,-3.0 -42,-2.3 -2,-0.6 2,-0.7 -0.667 17.6-121.5 -77.5 126.0 36.0 14.4 44.7 61 61 A D E +b 18 0A 74 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.587 33.7 176.1 -68.1 111.2 33.7 17.3 44.0 62 62 A A + 0 0 0 -44,-3.0 -29,-2.6 -2,-0.7 -42,-0.3 -0.349 45.0 107.8-111.1 50.1 31.6 16.2 41.0 63 63 A T B S+n 33 0C 35 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.432 70.7 45.6-109.6 -1.1 29.4 19.3 40.8 64 64 A T S S- 0 0 84 -31,-0.6 2,-0.2 -3,-0.3 -44,-0.0 -0.946 86.7 -90.5-141.3 161.3 30.6 21.1 37.7 65 65 A F - 0 0 42 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.477 40.5-134.8 -72.7 140.5 31.6 20.3 34.2 66 66 A Q - 0 0 60 1,-0.2 -1,-0.1 -2,-0.2 30,-0.1 -0.185 39.5 -57.7 -79.6 178.5 35.2 19.5 33.4 67 67 A N - 0 0 29 28,-0.3 2,-0.3 1,-0.1 25,-0.2 -0.179 49.5-120.6 -57.5 145.2 37.5 20.7 30.6 68 68 A V E -p 92 0E 0 23,-2.4 25,-2.9 22,-0.2 27,-0.1 -0.703 35.8-101.1 -87.9 143.3 36.7 20.3 27.0 69 69 A a E -p 93 0E 1 57,-0.3 25,-0.2 -2,-0.3 57,-0.1 -0.401 52.8 -85.4 -67.3 139.6 39.1 18.3 24.8 70 70 A Y + 0 0 52 23,-0.6 83,-0.3 -2,-0.1 2,-0.3 -0.157 69.4 150.4 -55.1 128.8 41.4 20.5 22.8 71 71 A Q - 0 0 4 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.983 50.2 -87.9-157.4 161.5 39.7 21.5 19.5 72 72 A Y - 0 0 72 52,-0.8 2,-0.5 -2,-0.3 82,-0.0 -0.487 43.9-139.5 -71.9 144.7 39.3 24.0 16.7 73 73 A V - 0 0 55 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.952 14.3-117.5-115.9 128.6 36.6 26.6 17.5 74 74 A D + 0 0 17 -2,-0.5 13,-0.1 1,-0.1 12,-0.0 -0.368 36.9 164.5 -63.5 129.6 34.2 27.9 14.9 75 75 A T + 0 0 99 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.352 44.0 106.6-124.3 2.9 34.4 31.6 14.1 76 76 A L S S+ 0 0 67 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.905 93.3 25.0 -51.5 -50.3 32.4 31.8 10.9 77 77 A Y S > S- 0 0 29 3,-0.1 3,-1.3 4,-0.0 -1,-0.3 -0.822 87.7-148.5-125.6 89.9 29.5 33.5 12.5 78 78 A P T 3 S- 0 0 110 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.406 77.1 -2.9 -64.8 117.8 30.6 35.4 15.7 79 79 A G T 3 S+ 0 0 68 1,-0.3 2,-0.5 -2,-0.3 3,-0.0 0.528 93.6 136.8 80.5 7.5 28.1 35.6 18.5 80 80 A F X> - 0 0 30 -3,-1.3 4,-2.9 1,-0.1 3,-1.0 -0.787 51.8-145.2 -92.3 125.6 25.4 33.8 16.5 81 81 A E H 3> S+ 0 0 126 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.844 93.9 70.3 -61.0 -38.3 23.5 31.2 18.6 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 353,-0.1 0.860 117.4 21.2 -46.2 -44.1 23.2 28.9 15.6 83 83 A T H X> S+ 0 0 2 -3,-1.0 3,-2.4 -6,-0.3 4,-0.7 0.862 116.3 63.9 -92.5 -45.6 26.9 28.2 15.8 84 84 A E H >< S+ 0 0 75 -4,-2.9 3,-1.9 1,-0.3 -3,-0.2 0.852 89.7 69.5 -49.4 -42.2 27.8 29.1 19.4 85 85 A M T 3< S+ 0 0 32 -4,-2.1 47,-0.3 1,-0.3 -1,-0.3 0.595 102.4 45.7 -56.5 -13.3 25.7 26.4 20.8 86 86 A W T <4 S+ 0 0 45 -3,-2.4 -1,-0.3 -5,-0.2 40,-0.2 0.589 92.6 100.9-103.3 -15.5 28.1 23.8 19.5 87 87 A N S << S- 0 0 22 -3,-1.9 -14,-0.1 -4,-0.7 40,-0.0 -0.417 89.2 -86.0 -71.2 144.3 31.2 25.6 20.7 88 88 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.186 33.4-163.8 -51.9 137.2 33.0 24.4 23.9 89 89 A N + 0 0 46 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.040 69.2 50.7-117.5 20.2 31.6 25.9 27.0 90 90 A R S S- 0 0 119 0, 0.0 -22,-0.2 0, 0.0 -24,-0.1 -0.964 103.7 -65.2-146.8 160.6 34.4 25.1 29.4 91 91 A E - 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