==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-02 1N5R . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,P.TAYLOR,Z.RADIC,P.MARCHOT . 1070 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 63.6 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 . 62 5.8 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 . 128 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 2 2 6 2 2 2 4 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 . 2 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 2 0 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 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.2 30.8 15.0 55.6 2 2 A G + 0 0 65 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.199 360.0 49.3 135.8 -43.7 28.0 15.4 58.1 3 3 A R S S+ 0 0 244 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.537 91.9 92.5-102.8 -10.3 26.3 18.6 57.0 4 4 A E S S- 0 0 66 1,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.389 94.4 -76.9 -85.3 164.7 25.9 17.9 53.3 5 5 A D > - 0 0 46 1,-0.2 3,-2.0 -2,-0.1 4,-0.2 -0.405 39.7-151.6 -59.7 109.9 23.0 16.4 51.4 6 6 A P G > S+ 0 0 112 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.684 90.7 67.1 -60.6 -16.3 23.4 12.7 52.1 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.3 3,-0.0 -2,-0.1 0.533 95.1 55.4 -85.1 -1.9 21.8 11.9 48.8 8 8 A L G < S+ 0 0 17 -3,-2.0 11,-2.8 11,-0.1 2,-0.6 0.286 82.0 96.4-111.8 7.9 24.7 13.3 46.7 9 9 A L E < +A 18 0A 29 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.897 48.2 163.0-105.4 124.3 27.6 11.3 48.1 10 10 A V E -A 17 0A 10 7,-2.4 7,-3.9 -2,-0.6 2,-0.4 -0.953 27.8-138.9-138.5 155.2 28.6 8.3 46.1 11 11 A R E +A 16 0A 155 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.965 19.3 177.6-121.1 135.6 31.6 6.0 45.8 12 12 A V E > -A 15 0A 6 3,-3.3 3,-2.3 -2,-0.4 174,-0.1 -0.763 51.6 -81.9-124.1 170.7 33.1 4.6 42.6 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.3 169,-0.0 0.766 129.0 45.3 -43.8 -35.5 36.2 2.4 42.0 14 14 A G T 3 S- 0 0 10 1,-0.3 42,-2.7 41,-0.1 2,-0.3 0.582 123.2 -78.8 -90.7 -7.9 38.5 5.4 42.2 15 15 A G E < -A 12 0A 4 -3,-2.3 -3,-3.3 40,-0.2 2,-0.3 -0.957 65.2 -25.9 147.6-168.3 37.1 7.0 45.3 16 16 A Q E -Ab 11 59A 55 42,-0.9 44,-3.4 -2,-0.3 2,-0.3 -0.658 48.2-165.7 -89.2 140.2 34.4 9.2 46.8 17 17 A L E -Ab 10 60A 1 -7,-3.9 -7,-2.4 -2,-0.3 2,-0.5 -0.924 13.2-153.5-126.0 149.3 32.4 11.7 44.8 18 18 A R E -Ab 9 61A 67 42,-2.1 44,-3.0 -2,-0.3 -9,-0.2 -0.983 21.5-172.8-123.2 118.1 30.1 14.6 45.7 19 19 A G - 0 0 4 -11,-2.8 2,-0.3 -2,-0.5 13,-0.2 -0.136 19.0-111.9 -94.3-166.3 27.5 15.5 43.1 20 20 A I E -C 31 0B 55 11,-2.7 11,-2.6 42,-0.3 2,-0.6 -0.976 15.1-124.6-135.4 144.2 25.0 18.3 42.9 21 21 A R E -C 30 0B 120 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.804 35.9-165.7 -88.2 118.9 21.2 18.5 43.1 22 22 A L E -C 29 0B 29 7,-3.1 7,-2.3 -2,-0.6 2,-0.5 -0.775 18.6-118.2-108.8 155.9 19.9 20.2 39.9 23 23 A K E +C 28 0B 114 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.781 28.8 179.8 -94.8 123.8 16.5 21.7 39.1 24 24 A A E > -C 27 0B 2 3,-2.0 3,-2.0 -2,-0.5 113,-0.0 -0.837 45.6-100.8-113.6 156.3 14.6 20.2 36.2 25 25 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 430,-0.0 0.886 121.6 35.8 -45.0 -46.9 11.1 21.6 35.3 26 26 A G T 3 S- 0 0 59 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.350 131.3 -49.6 -92.9 8.5 9.3 18.7 37.1 27 27 A G E < S-C 24 0B 10 -3,-2.0 -3,-2.0 2,-0.0 -1,-0.2 -0.873 75.2 -43.8 149.6 177.4 11.6 18.2 40.0 28 28 A P E -C 23 0B 32 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.355 41.4-167.8 -77.3 156.7 15.2 17.7 41.1 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-3.1 75,-0.2 2,-0.5 -0.945 23.0-118.2-136.6 156.7 17.8 15.4 39.5 30 30 A S E -CD 21 103B 0 73,-3.0 73,-2.3 -2,-0.3 2,-0.4 -0.832 29.9-169.6 -97.1 133.7 21.3 14.3 40.8 31 31 A A E -CD 20 102B 0 -11,-2.6 -11,-2.7 -2,-0.5 2,-0.6 -0.985 15.8-171.7-128.0 133.1 24.2 15.3 38.7 32 32 A F E - D 0 101B 0 69,-3.0 69,-2.2 -2,-0.4 2,-0.4 -0.912 24.1-177.4-121.1 99.4 27.8 14.0 39.0 33 33 A L E +m 63 0C 9 29,-2.5 31,-0.6 -2,-0.6 67,-0.2 -0.797 52.6 18.6-107.1 143.1 29.9 16.2 36.7 34 34 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.873 68.8 170.8 75.4 37.7 33.5 16.1 35.8 35 35 A I E - D 0 99B 0 64,-2.8 64,-2.6 -3,-0.3 2,-0.3 -0.728 32.0-130.4 -82.5 123.1 34.3 12.6 36.9 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.560 32.0 171.5 -72.9 132.5 37.8 11.7 35.8 37 37 A F + 0 0 4 60,-1.7 16,-0.9 -2,-0.3 2,-0.3 0.407 62.8 33.0-121.0 0.5 38.0 8.3 34.0 38 38 A A B S-N 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.974 88.6 -94.0-149.5 159.1 41.5 8.4 32.7 39 39 A E - 0 0 18 12,-2.5 12,-0.4 -2,-0.3 14,-0.1 -0.575 66.2 -85.6 -70.9 140.0 44.9 9.7 33.6 40 40 A P - 0 0 30 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.248 38.1-134.8 -48.2 122.9 45.3 13.1 31.9 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.285 59.7 132.2 -81.6 57.8 46.6 12.3 28.4 42 42 A V > - 0 0 61 -2,-2.0 3,-3.0 3,-0.1 4,-0.1 -0.500 53.6 -4.1-106.2 171.0 49.2 15.0 28.5 43 43 A G G > S+ 0 0 49 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.245 137.5 8.6 52.6-121.9 52.9 15.4 27.8 44 44 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.1 225,-0.1 0.641 128.2 65.3 -63.9 -12.5 54.4 12.0 26.9 45 45 A R G X + 0 0 63 -3,-3.0 3,-1.9 -5,-0.1 -1,-0.3 0.518 69.9 119.7 -89.3 -2.5 50.8 10.7 26.8 46 46 A R T < S+ 0 0 12 -3,-1.9 -4,-0.1 1,-0.3 223,-0.1 -0.371 84.9 11.3 -62.6 138.8 49.7 12.8 23.8 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.340 107.5 117.6 74.5 -5.4 48.6 10.6 20.9 48 48 A M S < S- 0 0 40 -3,-1.9 -1,-0.2 119,-0.1 3,-0.1 -0.603 75.6 -92.6 -97.2 156.0 48.7 7.6 23.2 49 49 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.174 54.6 -98.4 -55.9 150.6 45.9 5.2 24.3 50 50 A P - 0 0 23 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.491 29.6-145.3 -78.0 151.1 44.2 6.3 27.6 51 51 A E - 0 0 95 -12,-0.4 -12,-2.5 -2,-0.1 3,-0.1 -0.884 33.2 -95.1-110.7 141.6 45.2 4.7 30.9 52 52 A P B -N 38 0D 88 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.252 48.3 -96.5 -56.9 142.6 42.6 4.2 33.6 53 53 A K - 0 0 62 -16,-0.9 -14,-0.1 -15,-0.1 3,-0.1 -0.384 38.6-122.9 -60.7 130.2 42.4 7.0 36.2 54 54 A R - 0 0 152 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.511 38.0 -91.5 -76.7 143.7 44.3 6.2 39.4 55 55 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.115 42.6-149.8 -52.1 147.1 42.3 6.3 42.7 56 56 A W - 0 0 50 -42,-2.7 2,-0.3 2,-0.1 -40,-0.2 -0.749 9.7-120.0-116.4 168.1 42.2 9.5 44.5 57 57 A S S S+ 0 0 117 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.792 71.2 10.9-108.2 153.0 41.9 10.3 48.3 58 58 A G S S- 0 0 50 -2,-0.3 -42,-0.9 2,-0.1 2,-0.7 -0.319 108.1 -38.3 82.1-168.6 39.1 12.3 49.9 59 59 A V E -b 16 0A 52 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.869 56.2-142.8-102.1 113.6 35.9 13.4 48.3 60 60 A L E -b 17 0A 40 -44,-3.4 -42,-2.1 -2,-0.7 2,-0.7 -0.576 20.9-122.8 -74.7 131.3 36.3 14.4 44.7 61 61 A D E +b 18 0A 78 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.672 33.7 174.2 -78.1 116.2 34.0 17.4 43.9 62 62 A A + 0 0 0 -44,-3.0 -29,-2.5 -2,-0.7 -42,-0.3 -0.374 44.1 108.2-118.5 53.1 31.8 16.4 40.9 63 63 A T B S+m 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.461 72.6 44.4-107.5 -5.2 29.5 19.5 40.8 64 64 A T S S- 0 0 81 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.1 -0.976 86.8 -96.7-140.5 155.3 30.8 21.2 37.7 65 65 A F - 0 0 38 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.404 42.0-134.0 -66.7 145.0 31.7 20.3 34.1 66 66 A Q - 0 0 68 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.252 40.9 -51.8 -90.6-178.0 35.4 19.8 33.5 67 67 A N - 0 0 27 28,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.035 51.0-121.2 -52.6 153.1 37.6 21.0 30.7 68 68 A V E -o 92 0E 0 23,-2.6 25,-2.4 -3,-0.1 27,-0.1 -0.749 38.2 -97.9 -95.1 142.8 36.7 20.6 27.0 69 69 A a E -o 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.360 53.2 -87.0 -61.8 140.3 39.3 18.6 24.9 70 70 A Y S S+ 0 0 47 23,-0.9 83,-0.4 22,-0.1 2,-0.3 -0.219 70.4 147.3 -51.9 127.1 41.6 20.9 23.0 71 71 A Q - 0 0 6 -3,-0.1 2,-0.1 83,-0.1 54,-0.1 -0.986 52.1 -79.4-158.6 166.8 40.0 21.8 19.7 72 72 A Y - 0 0 75 52,-0.7 2,-0.5 -2,-0.3 52,-0.0 -0.446 43.5-142.1 -68.5 139.3 39.4 24.3 16.9 73 73 A V - 0 0 58 -2,-0.1 2,-0.3 14,-0.1 14,-0.1 -0.929 16.0-122.4-109.9 124.8 36.9 27.0 17.8 74 74 A D + 0 0 21 -2,-0.5 13,-0.1 9,-0.2 12,-0.0 -0.465 38.4 161.9 -69.6 128.2 34.5 28.1 15.1 75 75 A T + 0 0 96 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 0.252 38.7 113.3-127.1 10.5 34.6 31.9 14.4 76 76 A L S S+ 0 0 75 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.885 92.6 23.5 -49.4 -46.8 32.9 32.0 10.9 77 77 A Y S > S- 0 0 35 3,-0.1 3,-2.0 -3,-0.0 6,-0.3 -0.635 87.2-151.0-127.6 76.2 29.9 33.9 12.4 78 78 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.144 79.6 9.0 -47.1 123.9 30.9 35.7 15.6 79 79 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 2,-0.1 -4,-0.0 0.266 93.2 134.2 88.7 -12.2 28.0 36.2 18.1 80 80 A F X> - 0 0 26 -3,-2.0 4,-2.9 1,-0.1 3,-1.4 -0.609 50.4-150.7 -78.5 119.7 25.7 33.9 16.1 81 81 A E H 3> S+ 0 0 125 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.855 92.5 69.2 -56.6 -37.0 23.8 31.3 18.3 82 82 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.797 116.7 22.0 -53.4 -33.4 23.6 28.9 15.3 83 83 A T H X4 S+ 0 0 2 -3,-1.4 3,-1.5 -6,-0.3 4,-0.4 0.777 118.4 61.3-103.7 -34.8 27.4 28.4 15.6 84 84 A E H >< S+ 0 0 77 -4,-2.9 3,-1.6 1,-0.3 -3,-0.2 0.839 90.0 70.2 -62.3 -36.0 28.1 29.4 19.2 85 85 A M T 3< S+ 0 0 35 -4,-2.4 47,-0.3 1,-0.3 -1,-0.3 0.752 103.0 44.6 -57.2 -19.3 25.8 26.7 20.6 86 86 A W T < S+ 0 0 43 -3,-1.5 -1,-0.3 -5,-0.2 40,-0.2 0.553 92.9 104.3-100.1 -7.6 28.4 24.1 19.4 87 87 A N S < S- 0 0 22 -3,-1.6 -14,-0.1 -4,-0.4 40,-0.0 -0.266 87.7 -78.9 -72.3 158.5 31.5 25.9 20.7 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.282 37.5-168.8 -56.7 141.7 33.4 24.9 23.8 89 89 A N + 0 0 51 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.123 69.5 42.7-119.5 16.7 31.7 26.1 27.0 90 90 A R S S- 0 0 111 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.934 106.0 -59.7-149.9 168.1 34.5 25.4 29.4 91 91 A E - 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