==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-07 2JGL . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.HORNBERG,A.-K.TUNEMALM,F.EKSTROM . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 63.9 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 . 64 6.0 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 . 64 6.0 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 . 281 26.3 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 2 1 6 3 1 1 5 0 2 0 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 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 . 3 2 0 0 0 0 0 0 0 1 1 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 0 166 0, 0.0 4,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 169.2 30.6 15.0 55.4 2 2 A G + 0 0 70 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.268 360.0 46.4 142.6 -49.1 28.0 15.2 58.1 3 3 A R S S+ 0 0 254 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.545 91.7 101.6 -98.2 -12.1 26.0 18.3 56.9 4 4 A E S S- 0 0 66 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.154 87.9 -83.6 -72.9 165.3 25.7 17.4 53.2 5 5 A D > - 0 0 47 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.592 37.0-144.0 -68.5 115.1 22.8 15.9 51.3 6 6 A P G > S+ 0 0 110 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.638 94.8 62.6 -58.9 -17.0 23.0 12.2 51.9 7 7 A Q G 3 S+ 0 0 52 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.519 95.0 60.2 -86.0 -5.5 21.8 11.4 48.3 8 8 A L G < S+ 0 0 18 -3,-2.1 11,-2.5 11,-0.1 2,-0.6 0.371 81.5 91.4-106.5 4.5 24.7 13.1 46.6 9 9 A L E < +A 18 0A 36 -3,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.903 50.0 162.4-107.7 115.0 27.5 11.0 48.0 10 10 A V E -A 17 0A 7 7,-2.0 7,-3.4 -2,-0.6 2,-0.4 -0.963 27.9-141.2-130.4 144.5 28.5 8.0 45.9 11 11 A R E +A 16 0A 155 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.919 21.0 177.6-104.2 136.2 31.5 5.7 45.8 12 12 A V E > -A 15 0A 7 3,-3.2 3,-2.5 -2,-0.4 174,-0.1 -0.771 50.5 -82.6-123.2 175.8 33.0 4.4 42.5 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.774 129.0 44.9 -51.8 -32.9 36.1 2.2 41.8 14 14 A G T 3 S- 0 0 10 1,-0.2 42,-2.8 22,-0.1 2,-0.3 0.462 122.9 -84.2 -91.9 -3.2 38.4 5.2 41.9 15 15 A G E < -A 12 0A 5 -3,-2.5 -3,-3.2 40,-0.2 2,-0.3 -0.940 65.2 -17.8 140.3-160.9 37.0 6.8 45.1 16 16 A Q E -Ab 11 59A 60 42,-0.9 44,-3.5 -2,-0.3 2,-0.4 -0.680 47.5-163.2 -94.8 137.7 34.3 9.1 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-2.0 -2,-0.3 2,-0.5 -0.939 12.4-157.5-121.6 140.2 32.2 11.6 44.6 18 18 A R E -Ab 9 61A 67 42,-2.7 44,-3.1 -2,-0.4 -9,-0.2 -0.981 23.8-176.8-110.4 118.4 30.1 14.5 45.7 19 19 A G - 0 0 4 -11,-2.5 2,-0.4 -2,-0.5 13,-0.2 -0.263 20.1-106.5 -98.9-169.3 27.4 15.4 43.1 20 20 A I E -C 31 0B 58 11,-2.9 11,-2.4 42,-0.4 2,-0.6 -0.946 13.0-126.2-130.7 141.3 24.8 18.1 42.8 21 21 A R E -C 30 0B 138 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.768 37.1-163.5 -82.1 117.8 21.0 18.4 43.2 22 22 A L E -C 29 0B 30 7,-2.9 7,-2.4 -2,-0.6 2,-0.6 -0.850 16.5-122.9-108.9 146.7 19.8 20.0 40.0 23 23 A K E +C 28 0B 162 -2,-0.4 113,-0.1 5,-0.2 3,-0.0 -0.758 31.2 175.3 -91.0 116.5 16.4 21.6 39.3 24 24 A A E > -C 27 0B 3 3,-1.8 3,-0.9 -2,-0.6 113,-0.0 -0.694 45.8 -98.4-106.4 170.5 14.4 20.2 36.4 25 25 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.908 121.6 34.7 -57.2 -45.2 10.9 21.3 35.4 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.377 131.8 -56.7 -92.4 5.0 9.0 18.5 37.1 27 27 A G E < S-C 24 0B 19 -3,-0.9 -3,-1.8 2,-0.0 -1,-0.2 -0.894 75.2 -36.0 145.3-177.0 11.4 18.2 40.1 28 28 A P E -C 23 0B 36 0, 0.0 77,-0.6 0, 0.0 2,-0.3 -0.358 42.8-165.5 -81.1 155.8 15.0 17.6 41.2 29 29 A V E -CD 22 104B 0 -7,-2.4 -7,-2.9 75,-0.2 2,-0.5 -0.945 22.8-117.4-131.5 157.0 17.7 15.3 39.6 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.3 -2,-0.3 2,-0.4 -0.825 32.3-171.7 -91.2 129.0 21.0 13.9 40.7 31 31 A A E -CD 20 102B 0 -11,-2.4 -11,-2.9 -2,-0.5 2,-0.5 -0.980 16.2-174.0-122.5 137.5 24.0 15.0 38.6 32 32 A F E - D 0 101B 0 69,-3.1 69,-2.6 -2,-0.4 2,-0.4 -0.937 21.2-176.6-123.7 106.7 27.6 13.8 38.9 33 33 A L E +m 63 0C 9 29,-2.8 31,-0.5 -2,-0.5 67,-0.2 -0.834 54.0 16.0-114.4 140.6 29.8 16.0 36.5 34 34 A G E + 0 0 2 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.871 67.4 169.2 71.7 38.5 33.4 15.7 35.6 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.9 -3,-0.3 2,-0.2 -0.739 33.9-129.7 -79.7 119.6 34.2 12.2 36.9 36 36 A P E + D 0 98B 3 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.542 31.8 173.3 -71.4 134.2 37.6 11.3 35.6 37 37 A F + 0 0 5 60,-1.5 16,-1.0 -2,-0.2 2,-0.3 0.411 64.2 31.5-117.7 -1.6 37.7 7.9 33.9 38 38 A A B S-N 52 0D 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.976 88.5 -91.8-151.7 156.9 41.2 8.0 32.5 39 39 A E - 0 0 17 12,-2.6 12,-0.3 -2,-0.3 14,-0.1 -0.542 64.9 -87.1 -68.0 137.7 44.7 9.4 33.3 40 40 A P - 0 0 29 0, 0.0 2,-2.1 0, 0.0 55,-0.2 -0.266 35.9-135.5 -49.8 120.9 45.1 12.8 31.6 41 41 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.268 61.5 130.7 -78.0 54.7 46.3 12.0 28.1 42 42 A V > - 0 0 60 -2,-2.1 3,-2.8 3,-0.1 4,-0.1 -0.433 54.1 -2.6-104.0 173.0 48.9 14.8 28.4 43 43 A G G > S+ 0 0 48 1,-0.3 3,-1.3 2,-0.2 0, 0.0 -0.223 136.7 7.4 53.0-117.7 52.7 15.2 27.8 44 44 A S G 3 S+ 0 0 90 1,-0.2 -1,-0.3 3,-0.1 224,-0.0 0.519 127.0 66.3 -73.0 -4.9 54.2 11.8 26.8 45 45 A R G X + 0 0 77 -3,-2.8 3,-1.9 -5,-0.1 -1,-0.2 0.492 68.3 122.2 -97.4 -5.2 50.7 10.4 26.6 46 46 A R T < S+ 0 0 12 -3,-1.3 -4,-0.1 1,-0.3 222,-0.1 -0.352 84.9 12.1 -57.0 136.0 49.5 12.5 23.6 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.4 1,-0.2 -1,-0.3 0.237 107.9 119.8 75.5 -9.7 48.4 10.2 20.7 48 48 A M S < S- 0 0 34 -3,-1.9 -1,-0.2 119,-0.1 3,-0.1 -0.517 73.4 -97.3 -88.1 150.2 48.5 7.3 23.1 49 49 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.196 53.3 -94.4 -53.7 151.1 45.6 4.9 24.2 50 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.522 31.3-149.8 -76.6 144.7 44.0 5.9 27.4 51 51 A E - 0 0 96 -12,-0.3 -12,-2.6 -2,-0.2 3,-0.1 -0.882 36.0 -95.1-103.1 139.3 45.1 4.3 30.7 52 52 A P B -N 38 0D 83 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.212 48.1 -91.6 -57.0 145.2 42.4 4.0 33.4 53 53 A K - 0 0 62 -16,-1.0 -14,-0.1 -14,-0.1 3,-0.1 -0.325 38.7-125.3 -58.2 132.6 42.2 6.7 36.0 54 54 A R - 0 0 164 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.650 39.1 -93.0 -81.8 135.3 44.3 6.0 39.1 55 55 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.061 41.0-147.7 -53.1 147.9 42.2 6.2 42.4 56 56 A W - 0 0 51 -42,-2.8 2,-0.4 2,-0.1 -40,-0.1 -0.621 9.3-122.4-107.7 169.0 42.1 9.5 44.2 57 57 A S S S+ 0 0 120 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.909 70.1 16.0-113.7 149.6 41.8 10.2 48.0 58 58 A G S S- 0 0 47 -2,-0.4 -42,-0.9 2,-0.1 2,-0.7 -0.316 106.6 -41.4 89.2-175.1 39.0 12.3 49.6 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.835 57.7-141.0 -92.3 115.4 35.7 13.3 48.1 60 60 A L E -b 17 0A 39 -44,-3.5 -42,-2.7 -2,-0.7 2,-0.6 -0.601 18.3-123.8 -71.9 129.1 36.0 14.3 44.5 61 61 A D E +b 18 0A 78 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.2 -0.705 34.0 173.6 -77.0 120.9 33.9 17.3 43.7 62 62 A A + 0 0 0 -44,-3.1 -29,-2.8 -2,-0.6 -42,-0.4 -0.370 43.7 107.2-123.0 49.1 31.6 16.3 40.8 63 63 A T B S+m 33 0C 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.488 72.2 47.3-108.8 -9.3 29.4 19.4 40.7 64 64 A T S S- 0 0 78 -31,-0.5 -1,-0.1 -3,-0.2 0, 0.0 -0.984 87.3 -98.7-133.9 149.6 30.6 21.1 37.5 65 65 A F - 0 0 37 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.295 43.0-132.5 -57.5 144.2 31.5 20.1 33.9 66 66 A Q - 0 0 68 1,-0.2 -1,-0.1 30,-0.1 63,-0.1 -0.225 40.3 -49.7 -91.3-174.9 35.1 19.5 33.3 67 67 A N - 0 0 28 28,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.070 50.8-122.5 -55.2 151.5 37.4 20.7 30.6 68 68 A V E -o 92 0E 0 23,-2.4 25,-2.5 -3,-0.1 27,-0.1 -0.767 36.9 -98.5 -89.2 143.3 36.6 20.3 26.9 69 69 A a E -o 93 0E 1 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.364 52.8 -86.7 -63.1 136.7 39.1 18.4 24.7 70 70 A Y S S+ 0 0 49 23,-0.9 83,-0.3 -2,-0.1 2,-0.3 -0.154 70.6 156.1 -50.5 127.8 41.5 20.6 22.8 71 71 A Q - 0 0 4 -3,-0.1 2,-0.2 81,-0.1 54,-0.1 -0.995 49.7 -87.1-157.1 156.7 39.7 21.6 19.5 72 72 A Y - 0 0 73 52,-0.7 2,-0.5 -2,-0.3 52,-0.0 -0.463 43.9-142.7 -59.8 132.8 39.2 23.8 16.6 73 73 A V - 0 0 61 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.927 16.4-119.9-110.1 122.8 36.7 26.6 17.5 74 74 A D + 0 0 23 -2,-0.5 13,-0.1 9,-0.1 12,-0.0 -0.346 36.3 165.9 -67.8 134.0 34.3 27.7 14.8 75 75 A T + 0 0 96 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.129 39.0 113.9-132.8 19.0 34.4 31.3 13.7 76 76 A L S S+ 0 0 70 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.925 95.2 19.9 -61.3 -45.5 32.3 31.4 10.5 77 77 A Y S > S- 0 0 34 3,-0.1 3,-2.1 265,-0.0 2,-0.4 -0.691 86.3-151.2-125.3 79.8 29.6 33.5 12.1 78 78 A P T 3 S+ 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.302 81.4 10.5 -54.0 105.9 31.1 35.3 15.2 79 79 A G T 3 S+ 0 0 66 -2,-0.4 2,-0.3 1,-0.3 -4,-0.0 0.202 91.5 132.4 113.3 -12.3 28.2 35.9 17.8 80 80 A F X> - 0 0 32 -3,-2.1 4,-2.4 1,-0.1 3,-0.9 -0.541 52.4-145.0 -80.4 130.3 25.5 33.8 16.1 81 81 A E H 3> S+ 0 0 129 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.896 96.1 66.1 -61.9 -39.8 23.5 31.3 18.3 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.761 116.4 26.2 -53.8 -31.6 23.2 28.8 15.5 83 83 A T H X4 S+ 0 0 2 -3,-0.9 3,-1.2 -6,-0.2 4,-0.4 0.716 115.4 61.4 -99.0 -33.5 27.0 28.2 15.6 84 84 A E H >< S+ 0 0 82 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.858 90.4 69.5 -67.3 -34.4 27.8 29.1 19.2 85 85 A M T 3< S+ 0 0 35 -4,-2.2 47,-0.3 1,-0.3 -1,-0.3 0.699 102.1 46.6 -56.0 -21.1 25.6 26.4 20.6 86 86 A W T < S+ 0 0 45 -3,-1.2 -1,-0.3 -5,-0.2 40,-0.2 0.577 93.6 102.3 -97.0 -9.2 28.1 23.8 19.2 87 87 A N S < S- 0 0 17 -3,-1.7 -14,-0.1 -4,-0.4 40,-0.0 -0.337 87.3 -82.3 -76.9 153.5 31.2 25.6 20.5 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.219 36.9-170.3 -54.4 140.1 33.2 24.6 23.7 89 89 A N + 0 0 51 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.155 67.2 47.9-122.9 14.1 31.6 25.9 26.9 90 90 A R S S- 0 0 113 1,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.910 106.5 -63.3-141.5 167.7 34.4 25.1 29.3 91 91 A E - 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