==== 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 4B7Z . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.D.ANDERSSON,N.FORSGREN,C.AKFUR,A.ALLGARDSSON,L.BERG,W.QIAN . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 64.8 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 . 66 6.2 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 . 60 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 26.4 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 8 3 2 5 3 1 0 6 0 2 2 0 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 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 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 0 157 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.7 30.2 14.9 55.4 2 2 A G + 0 0 66 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.072 360.0 47.3 127.3 -32.8 27.6 15.1 58.1 3 3 A R S S+ 0 0 255 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.288 98.7 89.9-116.1 4.4 26.1 18.4 57.3 4 4 A E S S- 0 0 71 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.330 94.8 -77.6 -92.4 177.0 25.7 17.6 53.5 5 5 A D > - 0 0 47 1,-0.2 3,-1.7 -2,-0.1 -1,-0.1 -0.689 36.1-157.1 -77.9 113.1 22.9 16.0 51.5 6 6 A P G > S+ 0 0 99 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.644 88.8 66.1 -67.1 -14.4 23.2 12.2 52.2 7 7 A Q G 3 S+ 0 0 84 1,-0.2 100,-0.2 3,-0.0 -2,-0.0 0.524 97.6 54.1 -83.3 -6.5 21.4 11.5 48.9 8 8 A L G < S+ 0 0 12 -3,-1.7 11,-2.6 11,-0.1 2,-0.6 0.187 82.6 101.2-113.3 14.2 24.3 13.0 46.9 9 9 A L E < +A 18 0A 33 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.904 45.4 162.0-105.3 120.0 27.1 10.9 48.3 10 10 A V E -A 17 0A 8 7,-2.3 7,-3.5 -2,-0.6 2,-0.4 -0.993 28.2-143.0-138.8 142.5 28.2 8.0 46.1 11 11 A R E +A 16 0A 157 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.918 20.0 177.9-105.7 133.1 31.3 5.7 45.8 12 12 A V E > -A 15 0A 8 3,-2.8 3,-1.5 -2,-0.4 174,-0.1 -0.686 51.1 -81.4-116.6 179.9 32.7 4.4 42.5 13 13 A R T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.804 130.2 45.1 -52.0 -34.5 35.8 2.3 41.7 14 14 A G T 3 S- 0 0 11 1,-0.3 42,-2.3 22,-0.1 2,-0.3 0.578 123.4 -85.9 -89.7 -12.3 38.1 5.3 42.0 15 15 A G E < -A 12 0A 5 -3,-1.5 -3,-2.8 40,-0.2 -1,-0.3 -0.911 65.7 -15.9 143.7-164.9 36.6 6.7 45.2 16 16 A Q E -Ab 11 59A 56 42,-0.7 44,-2.7 -2,-0.3 2,-0.3 -0.477 49.1-166.9 -80.1 143.1 33.9 8.9 46.7 17 17 A L E -Ab 10 60A 2 -7,-3.5 -7,-2.3 42,-0.2 2,-0.5 -0.948 12.7-156.4-125.1 147.0 31.9 11.4 44.8 18 18 A R E -Ab 9 61A 63 42,-2.0 44,-2.8 -2,-0.3 -9,-0.2 -0.987 20.9-173.6-120.1 119.5 29.6 14.3 45.9 19 19 A G - 0 0 3 -11,-2.6 2,-0.3 -2,-0.5 13,-0.2 -0.093 19.3-109.0 -95.3-160.9 27.0 15.2 43.3 20 20 A I E -C 31 0B 58 11,-2.8 11,-2.4 42,-0.3 2,-0.8 -0.979 14.9-123.1-139.2 144.4 24.5 18.1 43.1 21 21 A R E -C 30 0B 104 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.791 35.3-160.6 -89.4 111.8 20.7 18.3 43.5 22 22 A L E -C 29 0B 24 7,-3.1 7,-2.0 -2,-0.8 2,-0.6 -0.640 14.5-125.6 -94.6 153.0 19.4 20.0 40.3 23 23 A K E +C 28 0B 132 -2,-0.2 113,-0.1 5,-0.2 7,-0.0 -0.873 29.7 177.2 -95.9 121.6 16.1 21.7 39.8 24 24 A A E > -C 27 0B 9 3,-1.9 3,-1.5 -2,-0.6 430,-0.0 -0.855 44.6-105.0-115.5 158.7 14.0 20.5 36.9 25 25 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.803 121.2 43.1 -55.4 -31.7 10.5 21.8 36.1 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.571 130.3 -67.3 -90.0 -10.8 8.8 18.6 37.4 27 27 A G E < S-C 24 0B 14 -3,-1.5 -3,-1.9 2,-0.0 -1,-0.3 -0.938 74.6 -31.4 149.9-170.9 11.0 18.3 40.5 28 28 A P E -C 23 0B 32 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.386 44.6-169.2 -80.4 154.1 14.6 17.6 41.6 29 29 A V E -CD 22 104B 0 -7,-2.0 -7,-3.1 75,-0.2 2,-0.4 -0.952 22.9-117.9-131.5 159.4 17.2 15.4 39.8 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.4 -2,-0.3 2,-0.4 -0.812 29.3-171.1 -94.7 135.2 20.6 14.1 40.9 31 31 A A E -CD 20 102B 0 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.5 -0.990 16.7-174.4-130.5 134.8 23.7 15.1 38.9 32 32 A F E - D 0 101B 0 69,-3.0 69,-2.2 -2,-0.4 3,-0.4 -0.880 24.9-177.9-124.1 96.0 27.2 13.8 39.1 33 33 A L E +n 63 0C 10 29,-2.4 31,-0.6 -2,-0.5 67,-0.2 -0.728 52.6 17.6-107.5 144.0 29.3 16.0 36.7 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.889 69.8 169.4 69.6 39.8 33.0 15.9 35.8 35 35 A I E - D 0 99B 0 64,-2.8 64,-2.6 -3,-0.4 2,-0.3 -0.767 32.6-130.2 -81.6 119.1 33.7 12.4 37.0 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.530 32.9 170.5 -72.9 132.6 37.1 11.4 35.7 37 37 A F + 0 0 5 60,-1.6 16,-1.0 -2,-0.3 2,-0.3 0.403 63.9 36.0-117.4 -2.8 37.3 8.0 33.9 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.979 88.3 -97.1-143.5 154.7 40.8 8.2 32.5 39 39 A E - 0 0 18 12,-2.4 12,-0.4 -2,-0.3 14,-0.1 -0.510 65.6 -84.3 -63.2 142.4 44.2 9.5 33.4 40 40 A P - 0 0 30 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.326 38.5-135.9 -57.4 122.3 44.6 12.9 31.7 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.385 59.6 126.5 -81.9 65.1 45.8 12.1 28.1 42 42 A V > - 0 0 58 -2,-2.2 3,-2.4 4,-0.1 2,-0.2 -0.707 55.3 -0.9-123.1 165.1 48.5 14.8 28.1 43 43 A G G > S+ 0 0 45 1,-0.3 3,-1.7 -2,-0.2 0, 0.0 -0.373 137.3 6.3 60.9-122.4 52.2 15.3 27.5 44 44 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -2,-0.2 224,-0.0 0.624 130.4 64.1 -67.7 -10.5 53.7 11.9 26.6 45 45 A R G X S+ 0 0 62 -3,-2.4 3,-1.8 -5,-0.1 -1,-0.3 0.455 71.6 120.2 -91.4 -2.0 50.1 10.5 26.6 46 46 A R T < S+ 0 0 13 -3,-1.7 -4,-0.1 1,-0.3 222,-0.1 -0.450 84.6 11.3 -65.5 138.2 49.0 12.6 23.7 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.5 1,-0.3 -1,-0.3 0.347 107.7 121.0 72.9 -2.5 47.7 10.4 20.8 48 48 A M S < S- 0 0 26 -3,-1.8 -1,-0.3 119,-0.1 118,-0.1 -0.560 75.2 -93.2 -92.3 154.3 47.9 7.4 23.1 49 49 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 -0.354 54.2-103.8 -56.5 141.6 45.1 5.0 24.2 50 50 A P - 0 0 21 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.354 30.0-142.4 -69.6 151.7 43.5 6.2 27.5 51 51 A E - 0 0 99 -12,-0.4 -12,-2.4 -3,-0.1 3,-0.1 -0.865 32.3 -89.9-109.7 151.1 44.4 4.5 30.7 52 52 A P B -O 38 0D 87 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.303 51.1 -98.3 -57.1 139.4 41.9 3.9 33.6 53 53 A K - 0 0 62 -16,-1.0 -14,-0.1 -15,-0.1 3,-0.1 -0.338 39.1-124.1 -55.9 132.4 41.7 6.8 36.1 54 54 A R - 0 0 148 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.662 38.1 -89.8 -81.6 140.4 43.8 6.0 39.1 55 55 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.086 41.7-149.0 -49.5 143.0 41.8 6.1 42.5 56 56 A W - 0 0 50 -42,-2.3 2,-0.3 2,-0.1 -40,-0.2 -0.676 10.4-122.7-106.5 165.9 41.7 9.5 44.3 57 57 A S S S+ 0 0 115 -2,-0.2 -42,-0.0 -42,-0.1 -43,-0.0 -0.785 70.7 11.7-105.8 156.7 41.5 10.1 48.1 58 58 A G S S- 0 0 49 -2,-0.3 2,-0.7 2,-0.1 -42,-0.7 -0.212 108.8 -36.9 74.8-168.5 38.8 12.1 49.8 59 59 A V E -b 16 0A 56 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.815 54.8-143.3 -98.2 112.4 35.5 13.2 48.2 60 60 A L E -b 17 0A 38 -44,-2.7 -42,-2.0 -2,-0.7 2,-0.6 -0.604 21.6-124.4 -71.5 128.7 35.8 14.3 44.6 61 61 A D E +b 18 0A 76 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.664 32.5 176.4 -76.2 118.2 33.5 17.2 43.9 62 62 A A + 0 0 0 -44,-2.8 -29,-2.4 -2,-0.6 -42,-0.3 -0.354 45.0 107.0-118.7 50.9 31.2 16.2 41.1 63 63 A T B S+n 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.411 72.5 46.5-109.5 -2.6 29.0 19.3 41.0 64 64 A T S S- 0 0 82 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.1 -0.980 85.7 -97.3-139.4 154.3 30.2 21.0 37.7 65 65 A F - 0 0 39 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.382 41.9-134.3 -64.6 143.2 31.0 20.2 34.2 66 66 A Q - 0 0 65 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.299 40.6 -53.4 -91.0-177.5 34.7 19.6 33.5 67 67 A N - 0 0 32 28,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.086 52.2-121.3 -55.5 150.2 36.9 20.8 30.6 68 68 A V E -p 92 0E 0 23,-2.2 25,-2.7 -3,-0.1 59,-0.1 -0.713 38.2 -94.5 -91.2 145.1 36.0 20.3 27.0 69 69 A a E -p 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.371 54.0 -90.0 -62.1 135.2 38.4 18.4 24.8 70 70 A Y + 0 0 47 23,-1.1 83,-0.4 -2,-0.1 2,-0.3 -0.173 69.6 152.0 -50.7 131.1 40.7 20.8 22.9 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 81,-0.1 21,-0.0 -0.998 50.2 -80.8-162.0 154.1 39.0 21.6 19.6 72 72 A Y - 0 0 62 52,-0.7 2,-0.5 -2,-0.3 205,-0.0 -0.316 44.6-142.2 -52.4 139.9 38.5 24.0 16.7 73 73 A V - 0 0 61 14,-0.1 2,-0.2 52,-0.1 14,-0.1 -0.959 19.9-111.4-115.6 130.3 36.0 26.7 17.7 74 74 A D + 0 0 21 -2,-0.5 13,-0.1 9,-0.2 9,-0.0 -0.378 37.0 170.1 -69.6 132.1 33.5 27.9 15.0 75 75 A T + 0 0 96 -2,-0.2 -1,-0.1 3,-0.1 8,-0.0 0.380 47.5 100.0-119.6 -4.3 34.0 31.5 13.8 76 76 A L S S+ 0 0 69 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.910 98.8 16.5 -59.9 -47.9 31.6 31.8 10.8 77 77 A Y S > S- 0 0 33 3,-0.1 3,-1.7 4,-0.0 6,-0.3 -0.683 81.9-155.4-129.3 81.9 28.8 33.6 12.7 78 78 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.296 78.2 8.8 -58.8 129.1 30.0 35.1 16.0 79 79 A G T 3 S+ 0 0 66 1,-0.3 2,-0.5 -2,-0.1 3,-0.0 0.368 92.8 130.0 84.5 -5.0 27.3 35.7 18.6 80 80 A F X> - 0 0 30 -3,-1.7 4,-2.7 1,-0.1 3,-1.0 -0.732 54.7-146.9 -86.2 122.4 24.7 33.8 16.6 81 81 A E H 3> S+ 0 0 118 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.809 92.6 71.1 -63.5 -28.4 23.0 31.2 18.8 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.868 115.9 21.9 -54.2 -41.5 22.6 28.9 15.8 83 83 A T H X4 S+ 0 0 1 -3,-1.0 3,-1.6 -6,-0.3 4,-0.5 0.805 119.2 60.3 -92.0 -38.4 26.3 28.2 15.8 84 84 A E H >< S+ 0 0 63 -4,-2.7 3,-1.6 1,-0.3 -3,-0.2 0.842 90.6 69.4 -66.3 -31.9 27.3 29.1 19.4 85 85 A M T 3< S+ 0 0 36 -4,-2.1 47,-0.3 1,-0.3 -1,-0.3 0.740 103.6 45.7 -55.4 -24.0 25.0 26.5 20.9 86 86 A W T < S+ 0 0 43 -3,-1.6 -1,-0.3 -5,-0.2 40,-0.2 0.550 95.0 101.1 -94.3 -10.5 27.4 23.9 19.5 87 87 A N S < S- 0 0 18 -3,-1.6 -14,-0.1 -4,-0.5 40,-0.0 -0.372 88.8 -79.4 -78.3 154.4 30.5 25.7 20.7 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.195 36.9-170.0 -51.9 137.2 32.6 24.7 23.8 89 89 A N + 0 0 50 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.272 68.2 46.8-116.3 8.2 31.0 25.9 27.0 90 90 A R S S- 0 0 112 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.886 105.7 -62.9-135.3 171.6 33.8 25.1 29.4 91 91 A E - 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