==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-12 4ARA . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.BERG,M.S.NIEMIEC,W.QIAN,C.D.ANDERSSON,P.WITTUNGSTAFSHEDE,F . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 9.3 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 . 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 . 121 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 25.7 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 4 4 5 1 3 1 1 5 0 2 0 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 4 2 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 . 3 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 1 1 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 0 172 0, 0.0 58,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.1 30.5 14.4 55.5 2 2 A G + 0 0 71 2,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.076 360.0 56.5 138.6 -38.2 27.6 15.0 57.9 3 3 A R S S+ 0 0 112 2,-0.1 2,-0.2 3,-0.0 0, 0.0 0.236 94.5 80.0-108.2 12.2 26.0 18.4 57.2 4 4 A E S S- 0 0 68 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.616 96.4 -65.5-117.2 173.1 25.3 17.8 53.4 5 5 A D > - 0 0 47 -2,-0.2 3,-1.4 1,-0.2 -2,-0.1 -0.447 39.1-158.8 -63.3 113.3 22.6 16.1 51.3 6 6 A P G > S+ 0 0 100 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.627 87.2 65.0 -69.2 -15.4 23.0 12.3 52.0 7 7 A Q G 3 S+ 0 0 91 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.391 96.1 57.5 -90.1 3.4 21.3 11.4 48.7 8 8 A L G < S+ 0 0 13 -3,-1.4 11,-2.7 11,-0.1 2,-0.6 0.233 82.1 98.9-116.3 9.7 24.2 13.0 46.6 9 9 A L E < +A 18 0A 30 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.896 45.5 161.1-106.9 120.0 27.0 10.9 48.1 10 10 A V E -A 17 0A 9 7,-2.0 7,-3.4 -2,-0.6 2,-0.4 -0.986 28.7-140.8-138.7 142.2 28.1 7.9 46.0 11 11 A R E +A 16 0A 158 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.904 20.4 179.7-103.8 134.0 31.2 5.7 45.8 12 12 A V E > -A 15 0A 5 3,-3.3 3,-1.9 -2,-0.4 174,-0.1 -0.762 49.6 -85.3-118.9 174.4 32.7 4.4 42.5 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.795 128.9 46.6 -48.4 -35.1 35.8 2.2 41.8 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.4 22,-0.1 2,-0.3 0.622 123.5 -83.1 -86.9 -14.1 38.0 5.3 41.9 15 15 A G E < -A 12 0A 6 -3,-1.9 -3,-3.3 40,-0.2 2,-0.3 -0.984 65.9 -21.5 149.1-158.3 36.6 6.9 45.1 16 16 A Q E -Ab 11 59A 60 42,-1.0 44,-3.2 -2,-0.3 2,-0.4 -0.715 47.5-163.1 -96.8 140.0 33.9 9.0 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-2.0 -2,-0.3 2,-0.5 -0.920 11.5-157.2-120.0 141.4 31.7 11.5 44.6 18 18 A R E -Ab 9 61A 69 42,-2.4 44,-3.2 -2,-0.4 -9,-0.2 -0.972 23.4-173.2-114.2 115.9 29.5 14.4 45.7 19 19 A G - 0 0 4 -11,-2.7 2,-0.4 -2,-0.5 13,-0.2 -0.111 18.1-109.4 -92.1-166.8 26.9 15.2 43.1 20 20 A I E -C 31 0B 54 11,-2.7 11,-2.5 42,-0.3 2,-0.7 -0.976 14.1-125.1-134.3 141.6 24.4 18.0 42.8 21 21 A R E -C 30 0B 141 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.773 35.6-165.0 -85.1 112.9 20.6 18.3 43.1 22 22 A L E -C 29 0B 29 7,-3.0 7,-2.8 -2,-0.7 2,-0.6 -0.784 16.9-123.8-104.6 144.4 19.3 19.9 39.9 23 23 A K E +C 28 0B 78 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.756 26.8 180.0 -87.7 118.7 15.9 21.4 39.2 24 24 A A E > -C 27 0B 11 3,-2.7 3,-1.4 -2,-0.6 113,-0.0 -0.709 45.8-101.3-101.1 165.0 14.0 20.0 36.2 25 25 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.854 121.4 36.8 -57.3 -35.7 10.5 21.5 35.5 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.0 111,-0.0 0.220 131.4 -45.4-103.6 14.6 8.7 18.6 37.1 27 27 A G E < S-C 24 0B 23 -3,-1.4 -3,-2.7 2,-0.0 -1,-0.2 -0.871 74.7 -51.3 148.2-179.8 11.0 17.9 40.0 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.564 41.1-165.0 -87.9 150.7 14.7 17.5 41.1 29 29 A V E -CD 22 104B 0 -7,-2.8 -7,-3.0 -2,-0.2 2,-0.5 -0.917 22.4-115.5-127.1 159.5 17.3 15.2 39.5 30 30 A S E -CD 21 103B 0 73,-3.0 73,-2.6 -2,-0.3 2,-0.4 -0.818 30.7-168.8 -94.6 131.1 20.7 13.9 40.6 31 31 A A E -CD 20 102B 0 -11,-2.5 -11,-2.7 -2,-0.5 2,-0.5 -0.978 15.5-175.0-123.4 132.5 23.7 15.1 38.6 32 32 A F E - D 0 101B 0 69,-3.1 69,-2.2 -2,-0.4 3,-0.3 -0.899 22.2-179.0-122.9 99.0 27.3 13.8 38.8 33 33 A L E +m 63 0C 10 29,-2.5 31,-0.5 -2,-0.5 67,-0.2 -0.768 52.7 19.0-108.7 142.8 29.4 15.9 36.5 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 65,-0.2 66,-0.2 0.896 68.0 169.5 70.8 42.5 33.1 15.7 35.7 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.6 -3,-0.3 2,-0.2 -0.791 32.2-131.5 -84.9 116.2 33.8 12.2 36.8 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.501 32.3 170.0 -67.9 130.7 37.4 11.2 35.6 37 37 A F + 0 0 4 60,-1.4 16,-1.0 -2,-0.2 2,-0.3 0.397 64.4 35.0-117.9 -4.3 37.4 7.8 33.9 38 38 A A B S-N 52 0D 3 59,-0.8 -1,-0.1 14,-0.3 59,-0.1 -0.971 87.5 -96.2-145.0 156.6 40.9 8.0 32.5 39 39 A E - 0 0 13 12,-3.6 12,-0.3 -2,-0.3 14,-0.1 -0.553 63.3 -87.2 -67.6 140.0 44.4 9.3 33.4 40 40 A P - 0 0 29 0, 0.0 2,-2.3 0, 0.0 55,-0.2 -0.346 35.5-137.5 -53.2 118.7 44.9 12.7 31.7 41 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.375 58.9 129.7 -79.3 61.4 46.3 12.0 28.2 42 42 A V > - 0 0 64 -2,-2.3 3,-2.0 4,-0.1 2,-0.1 -0.639 55.7 -0.7-113.4 168.7 48.8 14.8 28.4 43 43 A G G > S+ 0 0 48 1,-0.3 3,-1.6 -2,-0.2 0, 0.0 -0.334 136.9 6.9 57.9-122.3 52.6 15.1 27.8 44 44 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -2,-0.1 224,-0.0 0.474 128.2 65.6 -71.3 -1.3 54.0 11.7 26.7 45 45 A R G X + 0 0 68 -3,-2.0 3,-1.6 -5,-0.1 -1,-0.3 0.418 68.7 119.8-101.8 -0.7 50.5 10.3 26.6 46 46 A R T < S+ 0 0 12 -3,-1.6 -4,-0.1 1,-0.3 222,-0.1 -0.411 86.3 12.8 -60.8 141.0 49.3 12.5 23.7 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.271 107.9 120.2 71.9 -10.1 48.2 10.2 20.8 48 48 A M S < S- 0 0 32 -3,-1.6 -1,-0.2 119,-0.1 118,-0.1 -0.471 74.2 -97.0 -86.1 153.3 48.3 7.3 23.2 49 49 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.357 53.6 -96.0 -59.1 149.4 45.5 4.9 24.2 50 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.458 28.6-146.9 -74.5 140.3 43.8 6.0 27.5 51 51 A E - 0 0 92 -12,-0.3 -12,-3.6 -2,-0.2 3,-0.1 -0.893 34.7 -99.3 -99.5 136.9 44.8 4.4 30.9 52 52 A P B -N 38 0D 86 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.182 49.1 -89.4 -53.9 145.3 42.0 4.0 33.4 53 53 A K - 0 0 63 -16,-1.0 -14,-0.1 1,-0.1 3,-0.1 -0.322 38.8-124.6 -61.6 130.3 41.8 6.7 36.1 54 54 A R - 0 0 160 -3,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.602 39.3 -92.8 -75.2 137.0 43.9 6.0 39.3 55 55 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.088 42.9-146.3 -48.7 142.8 41.8 6.1 42.5 56 56 A W - 0 0 52 -42,-2.4 2,-0.4 2,-0.1 -40,-0.1 -0.590 10.6-114.9-107.2 171.4 41.7 9.5 44.3 57 57 A S S S+ 0 0 120 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.863 72.6 3.6-107.9 144.9 41.6 10.4 48.0 58 58 A G S S- 0 0 49 -2,-0.4 -42,-1.0 2,-0.1 2,-0.7 -0.380 106.9 -34.7 85.9-164.4 38.7 12.2 49.7 59 59 A V E -b 16 0A 54 -44,-0.1 2,-0.4 -2,-0.1 -42,-0.2 -0.874 55.5-142.4-101.9 112.9 35.4 13.3 48.1 60 60 A L E -b 17 0A 42 -44,-3.2 -42,-2.4 -2,-0.7 2,-0.5 -0.589 20.5-125.1 -70.4 123.7 35.6 14.4 44.5 61 61 A D E +b 18 0A 77 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.2 -0.621 30.6 179.5 -69.8 120.7 33.3 17.3 43.9 62 62 A A + 0 0 0 -44,-3.2 -29,-2.5 -2,-0.5 -42,-0.3 -0.353 47.6 104.0-119.5 52.1 31.1 16.3 40.9 63 63 A T B S+m 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.493 71.5 52.3-113.1 -10.3 28.9 19.4 40.6 64 64 A T S S- 0 0 85 -31,-0.5 2,-0.1 -3,-0.2 -1,-0.0 -0.924 85.6-102.4-127.3 154.2 30.4 21.1 37.5 65 65 A F - 0 0 39 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.463 42.5-131.5 -67.3 145.4 31.2 20.1 34.0 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 -2,-0.1 -1,-0.1 -0.265 41.8 -50.1 -91.9-177.2 34.9 19.4 33.4 67 67 A N - 0 0 32 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.111 53.1-121.7 -55.3 145.5 37.2 20.7 30.7 68 68 A V E -o 92 0E 0 23,-2.7 25,-2.1 -3,-0.1 3,-0.1 -0.725 37.4 -99.2 -86.1 138.1 36.3 20.4 27.0 69 69 A a E -o 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.2 -0.297 52.1 -87.9 -59.5 140.7 38.7 18.4 24.9 70 70 A Y S S+ 0 0 50 23,-0.9 83,-0.3 22,-0.1 2,-0.3 -0.266 71.3 144.2 -58.9 127.2 41.1 20.6 22.9 71 71 A Q - 0 0 4 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.952 50.9 -73.5-158.0 169.9 39.5 21.5 19.6 72 72 A Y - 0 0 73 52,-0.9 2,-0.5 -2,-0.3 205,-0.0 -0.492 41.5-140.2 -71.5 138.7 38.8 23.9 16.8 73 73 A V - 0 0 59 -2,-0.2 2,-0.2 14,-0.1 14,-0.1 -0.922 18.0-120.8-108.5 122.2 36.4 26.8 17.6 74 74 A D + 0 0 17 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.395 36.9 167.0 -62.1 120.9 33.9 27.8 14.9 75 75 A T + 0 0 94 -2,-0.2 -1,-0.1 1,-0.1 9,-0.0 0.187 43.7 106.5-120.0 13.0 34.4 31.5 13.9 76 76 A L S S+ 0 0 72 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.891 95.9 19.5 -62.2 -40.9 32.3 31.6 10.8 77 77 A Y S > S- 0 0 31 3,-0.1 3,-1.9 -3,-0.1 -1,-0.3 -0.675 82.3-155.5-133.1 80.5 29.5 33.6 12.5 78 78 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.376 82.2 11.5 -61.1 118.5 30.8 35.3 15.7 79 79 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.2 -4,-0.0 0.165 93.8 130.7 101.3 -15.7 27.9 36.0 18.1 80 80 A F X> - 0 0 30 -3,-1.9 4,-2.5 1,-0.1 3,-1.5 -0.606 52.7-147.9 -80.6 121.9 25.4 33.8 16.1 81 81 A E H 3> S+ 0 0 51 -2,-0.4 4,-2.0 1,-0.3 5,-0.1 0.824 93.1 68.0 -56.2 -35.8 23.5 31.3 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.748 115.8 25.4 -59.9 -26.0 23.3 28.8 15.4 83 83 A T H X> S+ 0 0 1 -3,-1.5 3,-1.6 -6,-0.3 4,-0.6 0.774 116.7 59.3-102.6 -41.0 27.1 28.2 15.6 84 84 A E H >< S+ 0 0 82 -4,-2.5 3,-1.1 1,-0.3 -3,-0.2 0.817 91.7 69.9 -61.4 -32.8 27.9 29.1 19.2 85 85 A M T 3< S+ 0 0 61 -4,-2.0 47,-0.3 1,-0.3 -1,-0.3 0.646 104.5 43.0 -61.7 -16.0 25.5 26.5 20.6 86 86 A W T <4 S+ 0 0 45 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.537 95.3 101.0-103.9 -13.6 28.0 23.8 19.4 87 87 A N S << S- 0 0 16 -3,-1.1 -14,-0.1 -4,-0.6 40,-0.1 -0.340 90.4 -77.7 -72.5 154.6 31.1 25.7 20.5 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.264 37.7-170.1 -54.1 131.6 33.0 24.7 23.7 89 89 A N + 0 0 49 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.269 69.7 46.6-109.4 6.4 31.2 26.0 26.9 90 90 A R S S- 0 0 116 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.858 104.6 -65.0-134.1 174.1 34.1 25.1 29.3 91 91 A E - 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