==== 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 4B85 . 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 5 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.2 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 . 2 0.2 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 . 59 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 26.0 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 2 3 7 2 0 2 6 0 2 2 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 4 2 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 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 0 171 0, 0.0 8,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.8 31.0 14.7 55.7 2 2 A G + 0 0 70 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.094 360.0 41.9 159.0 -42.6 28.2 15.3 58.3 3 3 A R S S+ 0 0 248 2,-0.1 2,-0.2 3,-0.0 0, 0.0 0.243 89.6 101.3-118.4 12.9 26.0 18.2 57.1 4 4 A E S S- 0 0 63 1,-0.1 5,-0.1 2,-0.0 -2,-0.0 -0.524 88.3 -79.1 -95.6 164.1 25.7 17.6 53.4 5 5 A D > - 0 0 48 -2,-0.2 3,-1.9 1,-0.2 4,-0.1 -0.484 38.7-149.4 -57.6 112.4 22.9 16.1 51.3 6 6 A P G > S+ 0 0 106 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.731 93.0 65.1 -61.8 -22.5 23.4 12.3 51.9 7 7 A Q G 3 S+ 0 0 48 1,-0.2 100,-0.1 3,-0.0 -2,-0.1 0.570 96.5 57.8 -73.9 -8.6 21.9 11.6 48.4 8 8 A L G < S+ 0 0 18 -3,-1.9 11,-2.7 11,-0.1 2,-0.6 0.327 83.5 91.4-107.3 7.1 24.9 13.4 46.8 9 9 A L E < +A 18 0A 30 -3,-0.9 2,-0.3 9,-0.2 9,-0.2 -0.917 50.1 160.8-109.9 118.2 27.7 11.3 48.2 10 10 A V E -A 17 0A 8 7,-2.0 7,-3.1 -2,-0.6 2,-0.4 -0.987 28.2-142.8-138.4 141.7 28.8 8.3 46.1 11 11 A R E +A 16 0A 159 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.902 20.0 177.9-106.3 137.4 31.9 6.2 45.9 12 12 A V E > -A 15 0A 7 3,-3.1 3,-1.7 -2,-0.4 174,-0.1 -0.751 50.2 -82.7-125.5 177.5 33.3 4.8 42.6 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.818 129.4 45.1 -51.4 -37.7 36.4 2.7 41.9 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.5 41,-0.1 2,-0.3 0.609 123.7 -83.0 -83.6 -13.3 38.7 5.7 41.9 15 15 A G E < -A 12 0A 4 -3,-1.7 -3,-3.1 40,-0.2 -1,-0.2 -0.944 64.3 -22.2 145.4-167.4 37.2 7.3 45.1 16 16 A Q E -Ab 11 59A 57 42,-0.8 44,-2.9 -2,-0.3 2,-0.3 -0.572 48.9-165.1 -86.7 143.7 34.5 9.4 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.1 -7,-2.0 -2,-0.2 2,-0.5 -0.945 13.5-152.8-126.2 145.8 32.5 11.9 44.7 18 18 A R E -Ab 9 61A 67 42,-2.4 44,-2.8 -2,-0.3 -9,-0.2 -0.976 22.7-171.8-115.9 116.9 30.2 14.8 45.8 19 19 A G - 0 0 4 -11,-2.7 2,-0.4 -2,-0.5 13,-0.2 -0.151 18.2-112.9 -91.7-168.7 27.5 15.6 43.2 20 20 A I E -C 31 0B 58 11,-2.9 11,-2.6 42,-0.3 2,-0.6 -0.975 14.4-127.0-131.9 143.3 25.0 18.4 43.0 21 21 A R E -C 30 0B 125 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.809 34.6-167.5 -88.2 117.9 21.2 18.5 43.3 22 22 A L E -C 29 0B 27 7,-3.2 7,-2.3 -2,-0.6 2,-0.5 -0.735 18.3-121.6-105.8 157.3 19.8 20.2 40.2 23 23 A K E -C 28 0B 172 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.871 26.0-179.0 -97.6 126.6 16.3 21.5 39.4 24 24 A A E > -C 27 0B 11 3,-2.2 3,-1.4 -2,-0.5 113,-0.0 -0.752 46.0-100.5-108.8 164.9 14.4 20.2 36.5 25 25 A P T 3 S+ 0 0 73 0, 0.0 112,-0.0 0, 0.0 430,-0.0 0.842 122.7 40.8 -59.2 -33.4 10.9 21.5 35.7 26 26 A G T 3 S- 0 0 56 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.398 130.5 -57.0 -94.1 2.5 9.2 18.5 37.3 27 27 A G E < S-C 24 0B 21 -3,-1.4 -3,-2.2 2,-0.0 -1,-0.3 -0.869 74.2 -39.2 145.6-179.4 11.5 18.1 40.3 28 28 A P E -C 23 0B 36 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.276 42.7-170.1 -77.4 159.5 15.1 17.6 41.4 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-3.2 75,-0.2 2,-0.4 -0.964 23.2-118.2-139.1 157.6 17.8 15.4 39.8 30 30 A S E -CD 21 103B 0 73,-2.6 73,-2.4 -2,-0.3 2,-0.4 -0.824 28.9-170.6 -95.7 135.0 21.3 14.3 40.9 31 31 A A E -CD 20 102B 0 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.994 15.1-172.9-126.4 135.4 24.2 15.3 38.7 32 32 A F E - D 0 101B 0 69,-2.8 69,-2.5 -2,-0.4 2,-0.3 -0.929 23.8-178.0-123.1 101.4 27.8 14.2 39.0 33 33 A L E +n 63 0C 10 29,-2.5 31,-0.6 -2,-0.5 67,-0.2 -0.810 52.6 18.7-111.4 142.2 29.8 16.3 36.6 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 65,-0.3 66,-0.2 0.873 68.6 170.0 71.5 39.4 33.5 16.2 35.6 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.7 -3,-0.3 -1,-0.2 -0.748 33.8-127.3 -79.9 121.6 34.3 12.7 36.9 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.490 33.7 171.0 -71.3 133.3 37.8 11.8 35.7 37 37 A F + 0 0 4 60,-1.9 16,-1.0 -2,-0.2 2,-0.3 0.460 62.8 31.2-120.4 -3.9 38.0 8.5 33.9 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.962 88.5 -93.3-142.5 160.0 41.5 8.6 32.5 39 39 A E - 0 0 18 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.534 65.9 -84.5 -66.1 144.5 44.9 10.0 33.3 40 40 A P - 0 0 30 0, 0.0 2,-2.6 0, 0.0 5,-0.2 -0.352 37.4-134.7 -57.9 121.5 45.3 13.4 31.6 41 41 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.312 60.6 130.8 -78.3 59.7 46.5 12.7 28.1 42 42 A V > - 0 0 60 -2,-2.6 3,-2.6 4,-0.1 2,-0.2 -0.661 57.1 -7.8-114.3 164.2 49.1 15.4 28.2 43 43 A G G > S+ 0 0 44 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.318 137.9 8.7 58.0-118.9 52.8 15.7 27.5 44 44 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.648 128.8 63.0 -68.4 -14.3 54.2 12.3 26.7 45 45 A R G X S+ 0 0 73 -3,-2.6 3,-1.9 -5,-0.2 -1,-0.3 0.530 73.2 119.7 -88.3 -7.1 50.7 10.9 26.7 46 46 A R T < S+ 0 0 12 -3,-1.5 -4,-0.1 1,-0.3 223,-0.1 -0.390 85.6 9.0 -60.5 134.6 49.6 13.1 23.7 47 47 A F T 3 S+ 0 0 1 109,-0.5 122,-0.5 1,-0.3 -1,-0.3 0.294 108.1 116.3 75.2 -6.2 48.5 10.8 20.8 48 48 A M S < S- 0 0 43 -3,-1.9 -1,-0.3 119,-0.1 3,-0.1 -0.572 77.1 -90.1 -91.6 154.9 48.6 7.7 23.1 49 49 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.207 56.7 -95.2 -52.9 150.8 45.7 5.4 24.2 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.456 32.7-143.1 -73.7 144.8 44.1 6.6 27.4 51 51 A E - 0 0 91 -12,-0.4 -12,-3.1 -2,-0.1 3,-0.1 -0.900 31.9 -97.3-102.8 141.2 45.3 5.1 30.7 52 52 A P B -O 38 0D 88 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.199 46.9 -97.8 -54.2 140.6 42.7 4.5 33.5 53 53 A K - 0 0 65 -16,-1.0 -14,-0.1 -15,-0.1 3,-0.1 -0.401 37.7-126.1 -61.4 131.7 42.4 7.3 36.1 54 54 A R - 0 0 151 1,-0.1 -40,-0.1 -2,-0.1 -1,-0.1 -0.611 39.5 -86.4 -80.3 145.7 44.4 6.4 39.2 55 55 A P - 0 0 86 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.091 44.6-146.1 -52.7 145.6 42.4 6.6 42.5 56 56 A W - 0 0 47 -42,-2.5 2,-0.3 2,-0.1 -40,-0.2 -0.678 11.3-117.2-109.2 167.2 42.3 10.0 44.2 57 57 A S S S+ 0 0 119 -2,-0.2 -42,-0.0 -42,-0.1 -43,-0.0 -0.794 71.0 2.8-106.7 150.8 42.2 10.8 47.9 58 58 A G S S- 0 0 51 -2,-0.3 -42,-0.8 2,-0.1 2,-0.6 -0.219 108.1 -34.8 74.0-167.2 39.3 12.6 49.7 59 59 A V E -b 16 0A 49 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.817 56.8-143.2 -96.7 117.6 36.0 13.7 48.2 60 60 A L E -b 17 0A 39 -44,-2.9 -42,-2.4 -2,-0.6 2,-0.6 -0.662 19.6-124.4 -79.0 128.1 36.3 14.8 44.6 61 61 A D E +b 18 0A 83 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.642 32.1 176.1 -74.5 116.9 33.9 17.7 43.8 62 62 A A + 0 0 0 -44,-2.8 -29,-2.5 -2,-0.6 -42,-0.3 -0.366 45.0 108.2-115.8 50.7 31.7 16.6 40.9 63 63 A T B S+n 33 0C 33 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.425 71.5 45.3-111.1 -3.3 29.5 19.7 40.8 64 64 A T S S- 0 0 92 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.1 -0.985 87.3 -95.6-138.2 156.1 30.7 21.4 37.6 65 65 A F - 0 0 39 -2,-0.3 3,-0.1 64,-0.1 -2,-0.1 -0.392 41.7-133.0 -64.3 142.9 31.6 20.5 34.0 66 66 A Q - 0 0 64 1,-0.2 30,-0.1 30,-0.1 63,-0.1 -0.139 42.0 -53.8 -85.9-173.9 35.2 19.9 33.4 67 67 A N - 0 0 30 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.195 51.3-119.0 -62.2 152.3 37.4 21.2 30.5 68 68 A V E -p 92 0E 0 23,-2.2 25,-2.8 -3,-0.1 59,-0.1 -0.684 39.3 -96.6 -85.4 143.3 36.5 20.8 26.9 69 69 A a E -p 93 0E 1 57,-0.3 25,-0.2 -2,-0.3 57,-0.1 -0.368 52.9 -90.1 -61.6 138.6 39.0 18.8 24.7 70 70 A Y + 0 0 45 23,-1.0 83,-0.4 22,-0.1 2,-0.3 -0.238 69.5 151.4 -56.3 131.8 41.3 21.1 22.9 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 81,-0.1 2,-0.1 -0.998 50.6 -85.1-162.7 156.9 39.7 21.9 19.5 72 72 A Y - 0 0 71 52,-0.7 2,-0.5 -2,-0.3 206,-0.0 -0.423 43.2-139.9 -63.3 139.1 39.2 24.2 16.6 73 73 A V - 0 0 58 -2,-0.1 14,-0.1 14,-0.1 -1,-0.0 -0.940 18.6-115.7-111.0 124.4 36.5 26.8 17.3 74 74 A D - 0 0 29 -2,-0.5 13,-0.0 1,-0.1 12,-0.0 -0.314 21.9-167.3 -59.8 131.4 34.1 27.6 14.5 75 75 A T + 0 0 104 3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.399 46.7 120.6-101.4 -1.7 34.3 31.3 13.4 76 76 A L S S- 0 0 33 1,-0.2 4,-0.1 7,-0.1 7,-0.0 -0.522 85.7 -9.2 -68.4 124.9 31.1 31.3 11.3 77 77 A Y S > S- 0 0 39 -2,-0.3 3,-1.6 1,-0.1 6,-0.3 0.950 79.3-143.2 53.1 70.0 28.6 34.0 12.5 78 78 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.362 83.3 15.7 -58.3 132.1 30.0 35.2 15.9 79 79 A G T 3 S+ 0 0 69 1,-0.3 2,-0.5 -2,-0.1 -2,-0.1 0.295 94.1 129.7 88.3 -9.7 27.4 35.9 18.5 80 80 A F X> - 0 0 31 -3,-1.6 4,-2.9 1,-0.1 3,-1.0 -0.679 56.3-145.2 -85.3 125.1 24.8 34.0 16.5 81 81 A E H 3> S+ 0 0 131 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.830 94.6 66.7 -57.0 -35.4 22.9 31.4 18.6 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.826 117.4 23.7 -60.7 -33.3 22.7 29.0 15.7 83 83 A T H X4 S+ 0 0 1 -3,-1.0 3,-1.9 -6,-0.3 4,-0.5 0.811 116.5 61.8 -96.2 -40.6 26.5 28.5 15.7 84 84 A E H >< S+ 0 0 81 -4,-2.9 3,-1.2 1,-0.3 -3,-0.2 0.787 90.2 70.0 -60.6 -29.6 27.3 29.4 19.3 85 85 A M T 3< S+ 0 0 47 -4,-1.9 47,-0.3 1,-0.3 -1,-0.3 0.695 102.8 45.5 -61.1 -19.3 25.2 26.6 20.7 86 86 A W T < S+ 0 0 48 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.553 93.0 102.3-100.0 -10.9 27.7 24.1 19.4 87 87 A N S < S- 0 0 19 -3,-1.2 -14,-0.1 -4,-0.5 40,-0.1 -0.374 87.4 -83.3 -76.4 153.6 30.9 26.0 20.6 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.242 36.3-168.5 -53.3 138.0 32.9 24.9 23.7 89 89 A N + 0 0 48 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.196 66.9 47.7-118.8 13.8 31.4 26.3 26.9 90 90 A R S S- 0 0 119 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.904 105.3 -61.8-139.7 171.6 34.3 25.5 29.2 91 91 A E - 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