==== 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 18-JUN-13 4BTL . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.D.ANDERSSON,N.FORSGREN,C.AKFUR,A.ALLGARDSSON,W.QIAN,C.ENGD . 1069 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 6.1 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 . 60 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.9 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 7 4 1 4 3 1 1 6 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 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 1 1 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 1 0 1 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 0 156 0, 0.0 2,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.5 30.4 14.3 55.6 2 2 A G + 0 0 67 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.479 360.0 40.6 95.4 -68.5 27.6 15.3 58.0 3 3 A R S S+ 0 0 235 -2,-1.4 -1,-0.2 2,-0.1 2,-0.1 0.336 88.3 97.4-109.0 4.6 25.5 18.1 56.6 4 4 A E S S- 0 0 63 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.358 87.5 -77.9 -91.2 173.4 25.1 17.3 52.8 5 5 A D > - 0 0 48 1,-0.2 3,-1.4 -2,-0.1 4,-0.1 -0.577 36.1-152.2 -67.4 119.5 22.3 15.7 50.9 6 6 A P T 3 S+ 0 0 102 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.554 91.8 66.6 -72.4 -7.4 22.8 11.9 51.5 7 7 A Q T 3 S+ 0 0 53 1,-0.2 100,-0.2 12,-0.0 -2,-0.1 0.555 96.7 55.9 -87.1 -4.1 21.2 11.2 48.1 8 8 A L S < S+ 0 0 19 -3,-1.4 11,-2.7 11,-0.1 2,-0.5 0.360 84.8 93.8-107.5 2.6 24.1 12.9 46.3 9 9 A L E +A 18 0A 37 -3,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.885 48.4 157.8-105.0 127.8 26.9 10.7 47.8 10 10 A V E -A 17 0A 11 7,-2.1 7,-3.2 -2,-0.5 2,-0.4 -0.988 30.6-138.8-148.5 142.5 28.0 7.7 45.8 11 11 A R E +A 16 0A 156 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.930 19.9 178.6-110.3 134.3 31.1 5.5 45.5 12 12 A V E > -A 15 0A 5 3,-3.0 3,-2.4 -2,-0.4 174,-0.1 -0.782 51.0 -86.1-120.4 169.8 32.5 4.2 42.2 13 13 A R T 3 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.751 128.5 50.4 -46.7 -31.7 35.6 2.0 41.6 14 14 A G T 3 S- 0 0 12 1,-0.3 42,-2.9 41,-0.1 2,-0.3 0.619 123.0 -83.9 -86.2 -14.3 37.8 5.1 41.6 15 15 A G E < -A 12 0A 4 -3,-2.4 -3,-3.0 40,-0.2 -1,-0.3 -0.945 65.3 -24.4 144.8-163.2 36.5 6.6 44.8 16 16 A Q E -Ab 11 59A 57 42,-0.9 44,-2.2 -2,-0.3 2,-0.4 -0.559 49.9-161.4 -89.1 149.8 33.8 8.7 46.3 17 17 A L E -Ab 10 60A 1 -7,-3.2 -7,-2.1 42,-0.2 2,-0.5 -0.987 13.1-156.1-131.6 140.4 31.7 11.2 44.5 18 18 A R E -Ab 9 61A 72 42,-2.4 44,-2.6 -2,-0.4 -9,-0.2 -0.961 24.0-176.9-111.6 117.2 29.5 14.1 45.4 19 19 A G - 0 0 4 -11,-2.7 2,-0.4 -2,-0.5 13,-0.2 -0.155 19.5-107.3 -97.8-164.7 26.8 15.0 42.8 20 20 A I E -C 31 0B 55 11,-2.9 11,-2.8 42,-0.3 2,-1.0 -0.961 12.6-125.6-136.3 145.8 24.2 17.7 42.5 21 21 A R E -C 30 0B 129 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.779 35.9-164.9 -88.4 102.8 20.4 18.0 42.8 22 22 A L E -C 29 0B 25 7,-2.8 7,-2.3 -2,-1.0 2,-0.4 -0.667 16.0-125.8 -91.8 147.1 19.3 19.6 39.6 23 23 A K E +C 28 0B 125 -2,-0.3 113,-0.1 5,-0.2 -1,-0.0 -0.740 28.5 178.5 -85.7 134.2 15.9 21.2 39.0 24 24 A A E > -C 27 0B 1 3,-1.3 3,-1.4 -2,-0.4 430,-0.0 -0.926 45.5-101.1-127.2 157.6 13.9 19.9 36.0 25 25 A P T 3 S+ 0 0 65 0, 0.0 112,-0.0 0, 0.0 429,-0.0 0.798 121.7 39.2 -50.1 -33.9 10.4 21.2 35.1 26 26 A G T 3 S- 0 0 56 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.557 129.3 -56.5 -96.5 -9.6 8.8 18.1 36.6 27 27 A G E < S-C 24 0B 9 -3,-1.4 -3,-1.3 2,-0.0 -1,-0.3 -0.928 74.0 -41.1 156.3-177.2 11.0 17.6 39.7 28 28 A P E -C 23 0B 31 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.352 43.0-169.8 -76.7 156.0 14.6 17.0 40.9 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.8 75,-0.2 2,-0.5 -0.969 23.3-118.9-135.8 156.1 17.2 14.9 39.2 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.6 -2,-0.3 2,-0.5 -0.827 28.0-167.7 -94.2 128.6 20.7 13.8 40.4 31 31 A A E -CD 20 102B 0 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.6 -0.969 14.0-171.2-117.7 132.3 23.6 14.8 38.3 32 32 A F E - D 0 101B 0 69,-3.3 69,-1.9 -2,-0.5 3,-0.4 -0.912 23.4-178.2-117.7 99.2 27.2 13.5 38.6 33 33 A L E + 0 0 9 29,-2.5 31,-0.5 -2,-0.6 67,-0.2 -0.791 53.4 16.8-109.1 138.2 29.2 15.7 36.3 34 34 A G E + 0 0 4 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.742 68.3 167.5 76.0 25.2 32.9 15.5 35.5 35 35 A I E - D 0 99B 0 64,-2.0 64,-2.7 -3,-0.4 2,-0.2 -0.588 33.9-131.8 -66.4 118.4 33.7 12.0 36.7 36 36 A P E + D 0 98B 7 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.570 30.1 174.4 -73.6 138.0 37.1 11.1 35.4 37 37 A F + 0 0 5 60,-1.8 16,-1.0 -2,-0.2 2,-0.3 0.451 63.5 31.2-121.3 -5.6 37.2 7.7 33.7 38 38 A A B S-M 52 0C 3 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.974 90.0 -91.0-146.0 156.1 40.8 7.7 32.4 39 39 A E - 0 0 16 12,-3.5 12,-0.4 -2,-0.3 14,-0.1 -0.498 65.0 -87.3 -63.3 139.4 44.2 9.1 33.3 40 40 A P - 0 0 31 0, 0.0 2,-2.6 0, 0.0 55,-0.2 -0.323 37.6-135.5 -56.3 118.2 44.6 12.5 31.6 41 41 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.340 59.5 129.1 -78.0 62.1 46.0 11.7 28.1 42 42 A V > + 0 0 63 -2,-2.6 3,-1.7 4,-0.1 2,-0.1 -0.683 53.8 1.3-118.8 166.7 48.6 14.4 28.2 43 43 A G G > S+ 0 0 45 1,-0.3 3,-2.2 -2,-0.2 0, 0.0 -0.386 136.3 4.7 61.2-129.3 52.3 14.8 27.6 44 44 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.467 129.5 65.8 -67.6 -1.0 53.9 11.5 26.6 45 45 A R G X + 0 0 55 -3,-1.7 3,-2.3 -5,-0.1 -1,-0.3 0.521 69.9 119.9 -96.9 -9.0 50.4 10.0 26.6 46 46 A R T < S+ 0 0 12 -3,-2.2 -4,-0.1 1,-0.3 222,-0.1 -0.318 85.4 12.3 -52.8 139.0 49.2 12.2 23.7 47 47 A F T 3 S+ 0 0 2 109,-0.4 122,-0.4 1,-0.2 -1,-0.3 0.347 106.5 119.7 68.6 -4.3 48.1 9.9 20.8 48 48 A M S < S- 0 0 43 -3,-2.3 -1,-0.2 119,-0.1 3,-0.1 -0.551 75.0 -94.1 -89.2 155.1 48.1 6.9 23.1 49 49 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.334 56.1 -94.3 -53.9 146.3 45.3 4.6 24.1 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.408 32.4-145.4 -68.4 141.5 43.6 5.7 27.3 51 51 A E - 0 0 104 -12,-0.4 -12,-3.5 -3,-0.1 3,-0.1 -0.930 33.8 -97.1-101.8 135.7 44.8 4.2 30.6 52 52 A P B -M 38 0C 88 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.155 48.3 -93.1 -48.0 138.0 42.1 3.6 33.3 53 53 A K - 0 0 63 -16,-1.0 3,-0.1 1,-0.1 -14,-0.1 -0.270 37.6-124.8 -57.7 133.5 41.8 6.4 35.9 54 54 A R - 0 0 145 -3,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.708 38.5 -92.3 -81.9 134.4 43.8 5.7 39.1 55 55 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 0.021 42.2-145.7 -43.4 143.3 41.7 5.8 42.4 56 56 A W - 0 0 49 -42,-2.9 2,-0.3 2,-0.1 -40,-0.2 -0.725 8.6-120.3-109.9 164.5 41.5 9.1 44.2 57 57 A S S S+ 0 0 118 -2,-0.3 -43,-0.0 -42,-0.1 -42,-0.0 -0.751 72.0 8.1-100.2 153.8 41.4 10.0 47.9 58 58 A G S S- 0 0 47 -2,-0.3 -42,-0.9 1,-0.1 2,-0.8 -0.159 106.2 -40.7 74.8-170.0 38.5 11.9 49.4 59 59 A V E -b 16 0A 49 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.864 56.1-140.6-101.7 109.1 35.2 12.9 47.9 60 60 A L E -b 17 0A 40 -44,-2.2 -42,-2.4 -2,-0.8 2,-0.5 -0.514 19.2-124.1 -62.5 124.5 35.6 14.1 44.3 61 61 A D E +b 18 0A 81 -2,-0.3 -42,-0.1 -44,-0.2 3,-0.1 -0.654 33.6 174.5 -72.8 125.2 33.3 17.1 43.6 62 62 A A + 0 0 0 -44,-2.6 -29,-2.5 -2,-0.5 -42,-0.3 -0.382 44.5 106.7-127.6 49.3 31.2 16.1 40.6 63 63 A T S S+ 0 0 37 -31,-0.2 2,-0.3 -44,-0.2 -29,-0.1 0.567 72.3 51.6-105.7 -14.6 28.9 19.1 40.5 64 64 A T S S- 0 0 86 -31,-0.5 2,-0.1 -3,-0.1 -44,-0.0 -0.859 86.6 -99.7-124.6 158.6 30.3 20.9 37.4 65 65 A F - 0 0 40 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.480 41.6-132.1 -70.3 144.9 31.1 20.0 33.8 66 66 A Q - 0 0 62 1,-0.2 63,-0.1 -2,-0.1 -1,-0.1 -0.324 39.2 -53.3 -91.6 177.7 34.8 19.3 33.1 67 67 A N - 0 0 29 28,-0.2 2,-0.4 1,-0.1 31,-0.2 -0.035 51.8-120.0 -50.1 146.3 37.2 20.4 30.4 68 68 A V E -n 92 0D 0 23,-3.1 25,-2.6 -3,-0.1 3,-0.1 -0.760 37.0 -99.6 -91.5 134.1 36.3 20.1 26.7 69 69 A a E -n 93 0D 2 -2,-0.4 25,-0.2 27,-0.3 57,-0.1 -0.264 53.7 -87.4 -55.5 136.6 38.6 18.0 24.6 70 70 A Y S S+ 0 0 54 23,-0.9 83,-0.3 22,-0.1 2,-0.3 -0.202 70.9 149.9 -56.1 129.4 41.0 20.2 22.7 71 71 A Q - 0 0 4 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.988 50.0 -81.2-161.0 160.8 39.4 21.2 19.4 72 72 A Y - 0 0 68 52,-0.8 2,-0.5 -2,-0.3 52,-0.0 -0.471 43.1-142.5 -66.2 134.2 38.9 23.5 16.5 73 73 A V - 0 0 59 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.909 18.7-113.5-109.1 129.4 36.4 26.3 17.3 74 74 A D + 0 0 26 -2,-0.5 13,-0.1 1,-0.1 9,-0.0 -0.304 34.9 170.3 -66.1 133.6 33.9 27.6 14.6 75 75 A T + 0 0 98 -2,-0.1 -1,-0.1 3,-0.1 8,-0.0 0.343 47.2 102.3-124.6 1.6 34.4 31.1 13.4 76 76 A L S S+ 0 0 67 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.939 98.7 16.0 -57.2 -54.4 32.0 31.3 10.4 77 77 A Y S > S- 0 0 28 3,-0.1 3,-1.8 4,-0.0 7,-0.3 -0.749 84.6-150.7-125.5 85.8 29.2 33.2 12.2 78 78 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.322 79.9 3.6 -59.9 125.4 30.6 34.8 15.4 79 79 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 -2,-0.1 -4,-0.0 0.375 92.8 138.4 81.9 -3.2 28.0 35.2 18.2 80 80 A F X> - 0 0 22 -3,-1.8 4,-2.8 1,-0.1 3,-1.3 -0.663 52.0-142.5 -81.3 125.7 25.3 33.5 16.1 81 81 A E H 3> S+ 0 0 116 -2,-0.5 4,-1.9 1,-0.3 -1,-0.1 0.776 94.6 64.3 -57.1 -33.8 23.2 31.1 18.1 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.764 117.5 25.7 -69.9 -25.8 22.9 28.5 15.4 83 83 A T H X4 S+ 0 0 2 -3,-1.3 3,-2.7 -6,-0.3 4,-0.5 0.827 116.2 60.7 -97.2 -48.3 26.6 27.8 15.4 84 84 A E H >< S+ 0 0 80 -4,-2.8 3,-1.7 -7,-0.3 -3,-0.2 0.804 91.1 69.4 -50.0 -37.2 27.5 28.8 19.0 85 85 A M T 3< S+ 0 0 61 -4,-1.9 47,-0.3 1,-0.3 -1,-0.3 0.657 103.3 46.0 -58.1 -15.2 25.2 26.2 20.4 86 86 A W T < S+ 0 0 47 -3,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.545 94.1 101.2-103.2 -10.8 27.6 23.6 19.1 87 87 A N S < S- 0 0 18 -3,-1.7 -14,-0.1 -4,-0.5 40,-0.0 -0.326 89.0 -79.8 -74.2 154.8 30.8 25.3 20.3 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.313 37.0-167.7 -52.4 128.1 32.7 24.3 23.5 89 89 A N + 0 0 46 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.208 68.3 45.9-107.8 11.6 31.0 25.6 26.7 90 90 A R S S- 0 0 118 1,-0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.907 104.3 -64.5-138.5 172.3 33.9 24.8 29.0 91 91 A E - 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