==== 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 4B80 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.D.ANDERSSON,N.FORSGREN,C.AKFUR,A.ALLGARDSSON,L.BERG,W.QIAN . 1071 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 64.8 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 . 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 . 68 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 26.1 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 4 4 3 2 0 1 6 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 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 . 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 0 164 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-127.5 30.3 14.3 55.7 2 2 A G + 0 0 76 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.417 360.0 44.8 106.3 -57.3 27.4 15.1 58.1 3 3 A R S S+ 0 0 247 -2,-0.7 2,-0.2 2,-0.1 -1,-0.1 -0.034 92.6 87.5-120.5 28.8 25.6 18.1 57.0 4 4 A E S S- 0 0 65 1,-0.0 -2,-0.1 5,-0.0 5,-0.1 -0.758 92.7 -69.0-122.0 171.5 25.2 17.6 53.2 5 5 A D > - 0 0 48 -2,-0.2 3,-1.6 1,-0.2 4,-0.2 -0.460 36.5-154.5 -68.1 115.2 22.6 15.8 51.1 6 6 A P T 3 S+ 0 0 110 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.595 91.8 63.7 -65.1 -11.8 22.8 12.1 51.8 7 7 A Q T 3 S+ 0 0 45 1,-0.2 100,-0.2 12,-0.0 -2,-0.1 0.675 96.0 57.3 -85.9 -15.4 21.3 11.4 48.4 8 8 A L S < S+ 0 0 18 -3,-1.6 11,-2.7 11,-0.1 2,-0.6 0.366 84.2 95.8 -97.1 6.8 24.3 13.0 46.5 9 9 A L E +A 18 0A 36 -3,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.877 47.1 158.7-106.4 121.8 27.0 10.8 48.0 10 10 A V E -A 17 0A 10 7,-2.0 7,-3.3 -2,-0.6 2,-0.4 -0.989 30.2-139.8-140.5 141.5 28.1 7.8 45.9 11 11 A R E +A 16 0A 156 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.906 21.4 177.9-103.4 134.4 31.2 5.5 45.7 12 12 A V E > -A 15 0A 5 3,-3.1 3,-2.2 -2,-0.4 174,-0.1 -0.804 50.3 -84.4-120.8 170.1 32.7 4.3 42.4 13 13 A R T 3 S+ 0 0 154 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.741 128.4 45.7 -41.8 -36.0 35.7 2.1 41.7 14 14 A G T 3 S- 0 0 10 1,-0.2 42,-2.6 22,-0.1 2,-0.3 0.592 123.5 -79.8 -91.9 -12.0 38.0 5.1 41.8 15 15 A G E < -A 12 0A 5 -3,-2.2 -3,-3.1 40,-0.2 2,-0.3 -0.975 65.4 -24.7 150.1-159.7 36.7 6.7 44.9 16 16 A Q E -Ab 11 59A 56 42,-0.9 44,-2.7 -2,-0.3 2,-0.4 -0.680 47.8-161.1 -95.0 142.7 33.9 8.9 46.5 17 17 A L E -Ab 10 60A 0 -7,-3.3 -7,-2.0 -2,-0.3 2,-0.6 -0.946 13.3-156.4-124.3 142.2 31.8 11.4 44.6 18 18 A R E -Ab 9 61A 66 42,-2.3 44,-2.6 -2,-0.4 -9,-0.2 -0.965 24.5-175.0-111.5 113.6 29.6 14.3 45.6 19 19 A G - 0 0 4 -11,-2.7 2,-0.3 -2,-0.6 13,-0.2 -0.110 18.5-109.1 -92.0-164.7 27.0 15.1 43.0 20 20 A I E -C 31 0B 55 11,-2.6 11,-2.6 42,-0.3 2,-0.8 -0.958 12.1-124.8-136.6 146.1 24.4 17.9 42.7 21 21 A R E -C 30 0B 123 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.805 36.0-167.6 -91.2 107.1 20.6 18.2 43.0 22 22 A L E -C 29 0B 26 7,-3.0 7,-2.3 -2,-0.8 2,-0.6 -0.671 17.7-125.9 -95.9 151.7 19.4 19.8 39.7 23 23 A K E +C 28 0B 168 -2,-0.3 113,-0.1 5,-0.2 -2,-0.0 -0.870 25.5 179.8 -94.9 122.5 16.0 21.3 39.0 24 24 A A E > -C 27 0B 10 3,-2.8 3,-1.5 -2,-0.6 113,-0.0 -0.769 47.0-100.1-104.8 163.4 14.1 20.0 36.0 25 25 A P T 3 S+ 0 0 76 0, 0.0 112,-0.0 0, 0.0 432,-0.0 0.790 122.3 39.3 -57.9 -29.0 10.7 21.5 35.3 26 26 A G T 3 S- 0 0 58 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.403 130.2 -50.7-102.3 1.2 8.8 18.6 36.9 27 27 A G E < S-C 24 0B 20 -3,-1.5 -3,-2.8 2,-0.0 -1,-0.3 -0.918 73.0 -46.1 154.9-177.9 11.2 17.9 39.8 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.505 41.9-168.7 -83.1 150.6 14.8 17.4 41.0 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-3.0 75,-0.2 2,-0.5 -0.947 23.7-116.2-131.0 156.4 17.4 15.1 39.4 30 30 A S E -CD 21 103B 0 73,-3.2 73,-2.6 -2,-0.3 2,-0.4 -0.818 30.5-170.4 -92.2 126.2 20.8 13.9 40.5 31 31 A A E -CD 20 102B 0 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.5 -0.962 14.1-171.7-115.5 133.9 23.8 14.9 38.4 32 32 A F E - D 0 101B 0 69,-3.4 69,-2.2 -2,-0.4 2,-0.3 -0.930 22.5-176.5-119.3 105.1 27.3 13.6 38.7 33 33 A L E +m 63 0C 11 29,-2.7 31,-0.5 -2,-0.5 67,-0.2 -0.796 52.8 15.7-111.5 141.2 29.5 15.8 36.4 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.834 68.3 169.6 72.8 34.4 33.2 15.6 35.6 35 35 A I E - D 0 99B 0 64,-2.6 64,-2.6 -3,-0.3 -1,-0.2 -0.702 33.2-129.6 -77.1 120.3 33.9 12.1 36.8 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.532 32.5 171.5 -71.1 134.1 37.4 11.1 35.5 37 37 A F + 0 0 4 60,-1.7 16,-1.1 -2,-0.2 2,-0.3 0.476 63.9 31.1-120.2 -8.7 37.4 7.7 33.7 38 38 A A B S-N 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.952 89.1 -93.7-140.9 158.1 41.0 7.8 32.4 39 39 A E - 0 0 25 12,-3.3 12,-0.3 -2,-0.3 14,-0.1 -0.523 64.4 -84.7 -64.6 142.4 44.4 9.2 33.3 40 40 A P - 0 0 33 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.303 36.3-136.2 -51.4 123.9 44.9 12.6 31.6 41 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.384 60.3 129.2 -85.0 61.9 46.2 11.8 28.1 42 42 A V > - 0 0 61 -2,-1.9 3,-1.8 4,-0.1 2,-0.2 -0.669 55.4 -0.4-115.5 165.4 48.8 14.6 28.3 43 43 A G G > S+ 0 0 45 1,-0.3 3,-1.7 -2,-0.2 0, 0.0 -0.383 136.7 4.2 61.5-125.4 52.6 14.8 27.7 44 44 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -2,-0.2 227,-0.0 0.458 129.2 66.2 -72.0 -1.1 54.0 11.5 26.6 45 45 A R G X + 0 0 71 -3,-1.8 3,-1.9 -5,-0.1 -1,-0.3 0.500 69.9 118.6 -97.0 -8.4 50.5 10.1 26.6 46 46 A R T < S+ 0 0 12 -3,-1.7 -4,-0.1 1,-0.3 225,-0.1 -0.380 85.3 13.2 -58.2 137.4 49.3 12.3 23.7 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.3 -1,-0.3 0.269 106.7 119.2 75.2 -9.1 48.2 10.1 20.8 48 48 A M S < S- 0 0 40 -3,-1.9 -1,-0.3 119,-0.1 118,-0.1 -0.509 75.4 -96.1 -86.7 153.5 48.2 7.0 23.1 49 49 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.372 57.3 -93.0 -57.3 146.7 45.3 4.7 24.1 50 50 A P - 0 0 21 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.408 29.7-141.9 -72.0 138.9 43.8 5.8 27.4 51 51 A E - 0 0 101 -12,-0.3 -12,-3.3 -2,-0.1 3,-0.1 -0.839 35.4-100.9 -89.5 134.8 45.0 4.3 30.7 52 52 A P B -N 38 0D 82 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.309 49.1 -90.4 -53.1 137.1 42.1 3.8 33.3 53 53 A K - 0 0 64 -16,-1.1 -14,-0.1 1,-0.1 3,-0.1 -0.212 39.1-124.4 -54.1 128.9 41.9 6.5 36.0 54 54 A R - 0 0 144 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.629 39.6 -91.3 -76.9 135.8 43.9 5.8 39.1 55 55 A P - 0 0 86 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.083 43.0-144.4 -46.9 137.8 41.8 5.9 42.4 56 56 A W - 0 0 48 -42,-2.6 2,-0.3 2,-0.1 -40,-0.2 -0.639 10.0-118.7-100.7 163.2 41.7 9.3 44.2 57 57 A S S S+ 0 0 120 -2,-0.2 -43,-0.0 -42,-0.1 -42,-0.0 -0.712 71.7 4.0 -96.8 155.2 41.6 10.1 47.9 58 58 A G S S- 0 0 48 -2,-0.3 -42,-0.9 1,-0.1 2,-0.8 -0.050 107.2 -36.8 71.1-173.1 38.7 11.9 49.6 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.811 57.0-143.0 -92.9 111.3 35.4 13.0 48.0 60 60 A L E -b 17 0A 41 -44,-2.7 -42,-2.3 -2,-0.8 2,-0.6 -0.579 19.4-123.6 -67.7 124.7 35.8 14.2 44.5 61 61 A D E +b 18 0A 81 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.638 32.8 176.3 -71.3 118.6 33.5 17.2 43.8 62 62 A A + 0 0 0 -44,-2.6 -29,-2.7 -2,-0.6 -42,-0.3 -0.357 45.4 106.9-118.3 50.2 31.3 16.2 40.8 63 63 A T B S+m 33 0C 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.454 71.6 52.7-107.1 -5.8 29.1 19.3 40.6 64 64 A T S S- 0 0 76 -31,-0.5 2,-0.1 -3,-0.2 -1,-0.0 -0.952 86.0-104.0-131.3 151.1 30.5 21.0 37.5 65 65 A F - 0 0 46 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.450 41.9-131.0 -66.4 146.7 31.2 19.9 33.9 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 -2,-0.1 -32,-0.1 -0.292 40.6 -51.6 -91.6 179.2 34.9 19.3 33.3 67 67 A N - 0 0 28 28,-0.2 2,-0.3 1,-0.1 31,-0.2 -0.084 52.2-120.4 -50.0 146.5 37.2 20.6 30.5 68 68 A V E -o 92 0E 0 23,-2.4 25,-2.3 -3,-0.1 3,-0.1 -0.722 38.0 -98.6 -86.8 138.2 36.3 20.2 26.8 69 69 A a E -o 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.291 53.0 -86.7 -59.3 141.1 38.8 18.2 24.7 70 70 A Y S S+ 0 0 50 23,-0.9 83,-0.3 22,-0.1 2,-0.3 -0.247 70.7 150.4 -57.7 128.5 41.2 20.4 22.7 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.988 50.6 -81.2-158.6 160.1 39.5 21.3 19.4 72 72 A Y - 0 0 68 52,-0.9 2,-0.5 -2,-0.3 52,-0.0 -0.450 43.7-142.6 -61.9 135.0 39.0 23.7 16.5 73 73 A V - 0 0 57 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.929 19.0-114.2-109.5 127.6 36.5 26.4 17.4 74 74 A D + 0 0 20 -2,-0.5 13,-0.1 9,-0.1 9,-0.0 -0.303 35.2 170.8 -64.1 132.1 34.1 27.7 14.7 75 75 A T + 0 0 99 -2,-0.1 -1,-0.1 3,-0.1 8,-0.0 0.285 47.3 102.6-122.8 6.1 34.5 31.2 13.5 76 76 A L S S+ 0 0 68 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.940 97.7 16.7 -61.7 -51.9 32.1 31.4 10.5 77 77 A Y S > S- 0 0 26 3,-0.1 3,-1.5 4,-0.0 -1,-0.3 -0.782 84.3-152.3-126.3 88.5 29.4 33.3 12.3 78 78 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.383 78.7 4.8 -64.0 126.3 30.7 35.0 15.6 79 79 A G T 3 S+ 0 0 70 1,-0.3 2,-0.5 -2,-0.2 3,-0.0 0.404 94.0 133.6 81.9 -1.5 28.1 35.5 18.3 80 80 A F X> - 0 0 31 -3,-1.5 4,-2.9 1,-0.1 3,-1.4 -0.739 53.8-143.6 -89.3 121.8 25.4 33.7 16.3 81 81 A E H 3> S+ 0 0 122 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.849 96.1 63.0 -50.8 -43.5 23.4 31.1 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 354,-0.1 0.775 118.0 29.6 -59.3 -25.8 23.0 28.6 15.5 83 83 A T H X> S+ 0 0 2 -3,-1.4 3,-1.6 -6,-0.2 4,-0.5 0.828 117.2 55.1 -95.5 -45.8 26.8 28.3 15.5 84 84 A E H >< S+ 0 0 73 -4,-2.9 3,-0.9 1,-0.3 -3,-0.2 0.781 92.2 71.3 -67.8 -27.3 27.7 29.0 19.1 85 85 A M T 3< S+ 0 0 31 -4,-2.4 47,-0.3 1,-0.3 -1,-0.3 0.678 103.2 44.7 -61.9 -18.2 25.4 26.3 20.6 86 86 A W T <4 S+ 0 0 46 -3,-1.6 -1,-0.3 -5,-0.2 40,-0.2 0.588 95.4 98.0 -98.8 -15.3 27.9 23.7 19.2 87 87 A N S << S- 0 0 16 -3,-0.9 2,-0.1 -4,-0.5 -14,-0.1 -0.263 90.8 -76.0 -72.0 160.2 31.1 25.5 20.4 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.355 36.9-170.5 -59.0 129.3 33.0 24.5 23.6 89 89 A N + 0 0 64 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.241 69.6 47.6-105.6 9.6 31.3 25.8 26.8 90 90 A R S S- 0 0 112 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.907 104.3 -67.4-135.9 169.8 34.2 24.9 29.1 91 91 A E - 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