==== 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 4B82 . 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) . 38170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 9.6 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 . 56 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 26.6 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 5 2 1 8 3 0 1 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 0 4 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 0 170 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 30.8 15.1 55.8 2 2 A G + 0 0 67 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.108 360.0 54.5 126.4 -33.9 28.0 15.1 58.4 3 3 A R S S+ 0 0 245 2,-0.1 2,-0.2 3,-0.0 0, 0.0 0.259 96.9 84.4-109.6 7.6 26.5 18.5 57.6 4 4 A E S S- 0 0 88 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.586 96.3 -73.6-110.5 169.8 25.9 17.8 53.9 5 5 A D > - 0 0 51 -2,-0.2 3,-1.6 1,-0.2 -2,-0.1 -0.500 38.5-158.1 -63.5 111.3 23.3 16.1 51.7 6 6 A P G > S+ 0 0 104 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.602 88.0 64.6 -69.7 -10.5 23.8 12.4 52.4 7 7 A Q G 3 S+ 0 0 83 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.428 95.3 57.8 -94.3 1.5 22.1 11.5 49.1 8 8 A L G < S+ 0 0 16 -3,-1.6 11,-2.6 11,-0.1 2,-0.6 0.227 83.4 100.2-111.7 12.5 24.8 13.2 47.1 9 9 A L E < +A 18 0A 29 -3,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.891 44.8 162.1-108.1 119.6 27.6 11.1 48.4 10 10 A V E -A 17 0A 6 7,-2.0 7,-3.5 -2,-0.6 2,-0.4 -0.993 26.4-145.7-138.7 138.8 28.9 8.2 46.2 11 11 A R E +A 16 0A 156 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.898 19.2 179.0-103.9 135.5 32.0 6.1 46.1 12 12 A V E > -A 15 0A 8 3,-3.2 3,-1.5 -2,-0.4 174,-0.1 -0.717 50.0 -83.0-119.9 178.6 33.5 4.7 42.8 13 13 A R T 3 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.796 130.1 46.5 -52.1 -33.6 36.6 2.6 42.1 14 14 A G T 3 S- 0 0 10 1,-0.3 42,-2.2 41,-0.1 2,-0.3 0.632 124.2 -87.0 -86.6 -15.7 38.8 5.7 42.1 15 15 A G E < -A 12 0A 6 -3,-1.5 -3,-3.2 40,-0.2 -1,-0.3 -0.938 65.4 -18.2 144.3-164.1 37.3 7.1 45.3 16 16 A Q E -Ab 11 59A 50 42,-0.7 44,-2.4 -2,-0.3 2,-0.3 -0.524 49.6-166.7 -83.7 144.5 34.6 9.2 46.9 17 17 A L E -Ab 10 60A 0 -7,-3.5 -7,-2.0 42,-0.2 2,-0.5 -0.922 12.3-153.0-126.2 149.8 32.5 11.7 44.9 18 18 A R E -Ab 9 61A 65 42,-2.0 44,-2.6 -2,-0.3 -9,-0.2 -0.976 20.6-171.4-124.2 118.3 30.1 14.5 45.9 19 19 A G - 0 0 4 -11,-2.6 2,-0.4 -2,-0.5 13,-0.2 -0.138 18.0-111.2 -93.2-168.4 27.4 15.4 43.4 20 20 A I E -C 31 0B 56 11,-2.9 11,-2.4 42,-0.3 2,-0.7 -0.974 14.6-126.0-132.2 142.6 24.9 18.2 43.2 21 21 A R E -C 30 0B 112 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.797 34.6-167.8 -85.1 113.3 21.1 18.4 43.5 22 22 A L E -C 29 0B 29 7,-2.7 7,-2.5 -2,-0.7 2,-0.5 -0.761 18.0-124.4-101.9 150.1 19.7 20.0 40.4 23 23 A K E -C 28 0B 111 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.834 26.5-179.9 -93.7 126.9 16.2 21.3 39.8 24 24 A A E > -C 27 0B 4 3,-2.3 3,-0.7 -2,-0.5 113,-0.0 -0.753 45.7 -99.9-109.8 165.6 14.3 20.0 36.8 25 25 A P T 3 S+ 0 0 75 0, 0.0 112,-0.0 0, 0.0 429,-0.0 0.854 122.5 40.2 -58.9 -36.6 10.7 21.3 36.1 26 26 A G T 3 S- 0 0 58 1,-0.3 -3,-0.0 111,-0.0 111,-0.0 0.585 131.3 -59.1 -88.2 -11.9 9.0 18.2 37.6 27 27 A G E < S-C 24 0B 10 -3,-0.7 -3,-2.3 2,-0.0 -1,-0.3 -0.954 73.4 -38.4 157.8-171.9 11.4 17.9 40.6 28 28 A P E -C 23 0B 30 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.387 42.3-168.3 -82.4 155.5 15.1 17.4 41.6 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.7 75,-0.2 2,-0.4 -0.933 23.5-115.9-132.5 160.5 17.7 15.2 40.0 30 30 A S E -CD 21 103B 0 73,-3.0 73,-2.6 -2,-0.3 2,-0.4 -0.828 29.9-170.2 -95.6 135.0 21.2 14.1 41.1 31 31 A A E -CD 20 102B 0 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.6 -0.991 15.8-174.8-128.8 129.2 24.2 15.2 39.0 32 32 A F E - D 0 101B 0 69,-3.0 69,-1.9 -2,-0.4 3,-0.4 -0.879 24.2-178.1-119.6 95.5 27.7 14.0 39.2 33 33 A L E +n 63 0C 9 29,-2.4 31,-0.6 -2,-0.6 67,-0.2 -0.747 52.6 18.6-105.3 140.5 29.7 16.2 36.8 34 34 A G E + 0 0 5 -2,-0.3 -1,-0.2 65,-0.3 66,-0.2 0.850 69.1 169.9 75.9 36.1 33.3 16.2 35.8 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.9 -3,-0.4 -1,-0.2 -0.711 33.2-128.4 -78.8 120.0 34.2 12.7 37.0 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.504 32.4 171.7 -69.0 130.8 37.7 11.8 35.8 37 37 A F + 0 0 4 60,-1.5 16,-1.0 -2,-0.2 2,-0.3 0.405 64.6 31.1-116.6 -2.4 37.8 8.4 34.0 38 38 A A B S-O 52 0D 4 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.984 87.1 -94.9-148.3 156.6 41.4 8.6 32.7 39 39 A E - 0 0 19 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.547 66.2 -85.8 -64.9 138.8 44.8 10.1 33.5 40 40 A P - 0 0 29 0, 0.0 2,-2.5 0, 0.0 55,-0.2 -0.307 35.9-135.0 -52.8 120.0 45.1 13.4 31.7 41 41 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.365 60.2 132.6 -77.8 62.8 46.4 12.6 28.1 42 42 A V > - 0 0 59 -2,-2.5 3,-2.2 4,-0.1 2,-0.2 -0.717 55.5 -8.0-117.5 161.6 48.9 15.5 28.3 43 43 A G G > S+ 0 0 44 1,-0.3 3,-1.8 -2,-0.2 0, 0.0 -0.369 137.3 8.6 59.7-120.7 52.6 15.9 27.5 44 44 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -2,-0.2 224,-0.1 0.652 128.3 63.7 -65.7 -15.7 54.2 12.5 26.7 45 45 A R G X S+ 0 0 67 -3,-2.2 3,-1.7 -5,-0.2 -1,-0.3 0.423 72.9 121.4 -88.5 -1.3 50.7 11.0 26.7 46 46 A R T < S+ 0 0 11 -3,-1.8 -4,-0.1 1,-0.3 222,-0.1 -0.446 83.6 10.8 -66.2 137.7 49.5 13.1 23.7 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.3 -1,-0.3 0.342 107.8 121.0 73.8 -3.3 48.3 10.8 20.8 48 48 A M S < S- 0 0 29 -3,-1.7 -1,-0.3 119,-0.1 3,-0.1 -0.544 75.3 -94.5 -91.7 153.2 48.5 7.9 23.2 49 49 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 -0.364 55.7 -98.3 -56.7 145.0 45.7 5.5 24.3 50 50 A P - 0 0 22 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.326 31.2-141.0 -67.9 149.6 44.1 6.7 27.6 51 51 A E - 0 0 103 -12,-0.4 -12,-3.1 -3,-0.1 3,-0.1 -0.931 31.8 -96.8-108.9 140.1 45.2 5.2 30.9 52 52 A P B -O 38 0D 85 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.192 48.9 -95.5 -52.6 140.5 42.6 4.5 33.6 53 53 A K - 0 0 64 -16,-1.0 3,-0.1 -15,-0.1 -14,-0.1 -0.389 38.6-125.9 -59.2 128.5 42.3 7.3 36.2 54 54 A R - 0 0 153 1,-0.1 -40,-0.1 -2,-0.1 -1,-0.1 -0.575 39.4 -88.1 -75.9 142.8 44.4 6.4 39.3 55 55 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.137 44.0-147.7 -52.8 142.2 42.5 6.5 42.6 56 56 A W - 0 0 49 -42,-2.2 2,-0.3 2,-0.1 -40,-0.2 -0.659 10.7-118.3-107.5 166.3 42.3 9.9 44.4 57 57 A S S S+ 0 0 120 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.835 70.6 5.5-106.9 146.0 42.2 10.7 48.1 58 58 A G S S- 0 0 50 -2,-0.3 2,-0.7 2,-0.1 -42,-0.7 -0.298 107.2 -35.2 82.2-169.1 39.4 12.6 49.8 59 59 A V E -b 16 0A 48 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.815 57.0-145.7 -97.2 109.7 36.0 13.7 48.4 60 60 A L E -b 17 0A 41 -44,-2.4 -42,-2.0 -2,-0.7 2,-0.7 -0.569 20.2-121.7 -73.4 129.8 36.3 14.8 44.7 61 61 A D E +b 18 0A 80 -2,-0.3 3,-0.3 -44,-0.2 -42,-0.1 -0.634 33.5 174.8 -76.0 111.7 33.9 17.6 43.9 62 62 A A + 0 0 0 -44,-2.6 -29,-2.4 -2,-0.7 -42,-0.3 -0.363 46.8 106.0-110.2 51.4 31.6 16.4 41.1 63 63 A T B S+n 33 0C 33 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.480 72.4 45.3-109.7 -7.7 29.4 19.5 41.0 64 64 A T S S- 0 0 85 -31,-0.6 -1,-0.1 -3,-0.3 2,-0.0 -0.970 86.7 -96.7-137.8 153.4 30.5 21.3 37.8 65 65 A F - 0 0 36 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.355 42.2-133.5 -63.7 145.8 31.4 20.4 34.2 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.274 39.7 -53.3 -92.7-176.5 35.0 19.9 33.5 67 67 A N - 0 0 29 28,-0.3 2,-0.3 23,-0.1 31,-0.2 -0.078 51.4-121.1 -55.0 152.3 37.3 21.1 30.7 68 68 A V E -p 92 0E 0 23,-2.8 25,-2.6 -3,-0.1 59,-0.1 -0.760 36.8 -98.3 -93.5 142.8 36.4 20.7 27.0 69 69 A a E -p 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.369 53.9 -87.7 -62.6 140.3 38.8 18.7 24.8 70 70 A Y S S+ 0 0 44 23,-0.7 83,-0.4 22,-0.1 2,-0.3 -0.214 70.3 145.1 -56.2 133.3 41.0 21.1 22.8 71 71 A Q - 0 0 6 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.990 52.1 -75.9-163.9 161.9 39.4 22.0 19.5 72 72 A Y - 0 0 74 52,-0.7 2,-0.4 -2,-0.3 52,-0.0 -0.442 43.5-140.8 -63.0 138.1 38.7 24.5 16.8 73 73 A V - 0 0 62 -2,-0.1 2,-0.1 14,-0.1 14,-0.1 -0.913 21.6-113.1-107.1 133.8 36.1 27.1 17.8 74 74 A D + 0 0 24 -2,-0.4 13,-0.0 9,-0.1 9,-0.0 -0.387 34.8 171.9 -73.1 140.8 33.6 28.3 15.2 75 75 A T + 0 0 100 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.301 47.1 103.4-127.8 3.4 33.8 31.8 13.8 76 76 A L S S+ 0 0 64 1,-0.3 -1,-0.0 4,-0.0 -2,-0.0 0.948 95.4 18.2 -58.8 -54.8 31.3 31.9 11.0 77 77 A Y S > S- 0 0 30 3,-0.1 3,-2.0 4,-0.0 7,-0.3 -0.759 82.1-149.9-124.3 86.0 28.5 33.7 12.7 78 78 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.296 82.2 4.3 -54.4 124.3 29.7 35.6 15.9 79 79 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 -2,-0.1 3,-0.0 0.477 95.0 136.7 79.3 2.7 27.1 35.9 18.6 80 80 A F X> - 0 0 30 -3,-2.0 4,-2.7 1,-0.1 3,-1.2 -0.756 50.3-148.2 -90.4 121.4 24.6 33.8 16.6 81 81 A E H 3> S+ 0 0 141 -2,-0.6 4,-1.8 1,-0.3 -1,-0.1 0.800 91.9 67.3 -56.1 -35.0 22.8 31.2 18.7 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.825 117.4 22.0 -59.4 -35.0 22.5 28.7 15.8 83 83 A T H X4 S+ 0 0 3 -3,-1.2 3,-1.9 -6,-0.3 4,-0.4 0.815 118.0 60.4 -97.8 -42.0 26.3 28.1 15.8 84 84 A E H >< S+ 0 0 78 -4,-2.7 3,-1.2 1,-0.3 -3,-0.2 0.761 90.6 71.3 -62.6 -27.1 27.3 29.2 19.3 85 85 A M T 3< S+ 0 0 49 -4,-1.8 47,-0.3 1,-0.3 -1,-0.3 0.682 101.7 45.7 -61.6 -19.2 25.1 26.5 20.9 86 86 A W T < S+ 0 0 46 -3,-1.9 -1,-0.3 -5,-0.1 40,-0.2 0.507 94.6 103.6 -99.7 -9.0 27.6 24.0 19.6 87 87 A N S < S- 0 0 18 -3,-1.2 -14,-0.1 -4,-0.4 40,-0.1 -0.374 86.8 -82.1 -77.3 152.8 30.7 25.9 20.7 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.225 36.7-172.2 -53.1 137.1 32.7 25.0 23.8 89 89 A N + 0 0 51 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.241 67.3 47.6-118.9 8.4 31.2 26.3 27.1 90 90 A R S S- 0 0 107 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.860 105.4 -60.6-134.6 175.1 34.1 25.4 29.4 91 91 A E - 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