==== 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 2JGF . 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) . 37609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.5 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 . 69 6.5 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 . 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 6 4 0 7 4 0 0 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 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 . 3 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 0 163 0, 0.0 4,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0-164.6 30.7 14.7 54.8 2 2 A G + 0 0 62 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.339 360.0 39.5 138.5 -53.2 28.1 15.3 57.6 3 3 A R S S+ 0 0 248 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.446 92.5 103.9-105.6 -3.4 26.0 18.3 56.5 4 4 A E S S- 0 0 58 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.316 88.1 -81.6 -80.4 162.7 25.8 17.6 52.8 5 5 A D > - 0 0 48 1,-0.2 3,-2.1 3,-0.1 4,-0.1 -0.497 37.7-146.4 -62.1 111.5 22.8 16.2 50.8 6 6 A P G > S+ 0 0 107 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.634 94.0 64.8 -59.3 -15.5 23.1 12.4 51.4 7 7 A Q G 3 S+ 0 0 53 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.571 96.8 56.3 -82.6 -8.1 21.7 11.8 47.9 8 8 A L G < S+ 0 0 15 -3,-2.1 11,-2.4 11,-0.1 2,-0.7 0.261 81.9 95.3-108.7 8.7 24.8 13.4 46.2 9 9 A L E < +A 18 0A 32 -3,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.895 49.2 161.9-107.9 109.7 27.5 11.2 47.7 10 10 A V E -A 17 0A 7 7,-2.1 7,-3.5 -2,-0.7 2,-0.4 -0.900 27.9-143.5-124.8 152.2 28.5 8.3 45.5 11 11 A R E +A 16 0A 153 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.968 19.3 178.2-114.5 133.4 31.6 6.1 45.4 12 12 A V E > -A 15 0A 7 3,-3.5 3,-2.3 -2,-0.4 174,-0.1 -0.783 50.5 -82.9-123.3 175.3 33.1 4.8 42.2 13 13 A R T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.3 169,-0.0 0.756 128.4 43.2 -50.7 -27.9 36.2 2.6 41.5 14 14 A G T 3 S- 0 0 9 1,-0.2 42,-2.7 22,-0.1 2,-0.3 0.457 123.2 -75.6-102.5 -3.4 38.5 5.6 41.7 15 15 A G E < -A 12 0A 6 -3,-2.3 -3,-3.5 40,-0.2 2,-0.3 -0.974 66.1 -26.5 149.0-159.6 37.1 7.3 44.7 16 16 A Q E -Ab 11 59A 57 42,-1.0 44,-3.0 -2,-0.3 2,-0.4 -0.755 44.7-159.0-101.9 141.9 34.3 9.5 46.1 17 17 A L E -Ab 10 60A 1 -7,-3.5 -7,-2.1 -2,-0.3 2,-0.6 -0.947 9.8-157.0-124.2 133.1 32.1 11.9 44.2 18 18 A R E -Ab 9 61A 70 42,-2.7 44,-2.8 -2,-0.4 -9,-0.2 -0.962 24.2-173.1-102.6 124.4 30.1 14.9 45.4 19 19 A G - 0 0 5 -11,-2.4 2,-0.4 -2,-0.6 13,-0.2 -0.216 18.3-112.8 -98.6-166.3 27.3 15.6 42.9 20 20 A I E -C 31 0B 56 11,-2.4 11,-2.5 42,-0.3 2,-0.5 -0.997 14.1-126.8-135.4 138.4 24.8 18.4 42.6 21 21 A R E -C 30 0B 134 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.746 36.5-162.8 -77.1 121.4 21.0 18.6 42.9 22 22 A L E -C 29 0B 28 7,-3.3 7,-2.4 -2,-0.5 2,-0.6 -0.860 16.7-122.8-111.0 148.6 19.8 20.2 39.8 23 23 A K E +C 28 0B 156 -2,-0.4 113,-0.1 5,-0.2 3,-0.0 -0.798 31.2 175.5 -92.1 118.3 16.5 21.8 39.1 24 24 A A E > -C 27 0B 2 3,-1.7 3,-1.3 -2,-0.6 430,-0.0 -0.733 46.2 -98.9-105.4 167.5 14.6 20.4 36.1 25 25 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.0 0, 0.0 429,-0.0 0.906 121.6 39.4 -54.1 -47.2 11.0 21.5 35.2 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.355 131.8 -62.0 -86.8 6.2 9.2 18.6 36.8 27 27 A G E < S-C 24 0B 16 -3,-1.3 -3,-1.7 2,-0.0 -1,-0.2 -0.837 76.8 -31.1 139.1-176.7 11.5 18.4 39.9 28 28 A P E -C 23 0B 33 0, 0.0 77,-0.6 0, 0.0 2,-0.3 -0.294 43.2-165.2 -75.8 154.1 15.2 17.8 40.9 29 29 A V E -CD 22 104B 0 -7,-2.4 -7,-3.3 75,-0.2 2,-0.5 -0.969 21.9-120.7-132.3 151.3 17.9 15.6 39.3 30 30 A S E -CD 21 103B 0 73,-2.7 73,-2.5 -2,-0.3 2,-0.4 -0.817 31.0-172.8 -88.4 127.1 21.2 14.3 40.5 31 31 A A E -CD 20 102B 0 -11,-2.5 -11,-2.4 -2,-0.5 2,-0.6 -0.984 16.0-172.8-123.5 129.9 24.2 15.3 38.3 32 32 A F E - D 0 101B 0 69,-3.3 69,-2.2 -2,-0.4 3,-0.4 -0.925 23.0-174.5-116.1 101.5 27.8 14.1 38.6 33 33 A L E + 0 0 10 29,-2.8 31,-0.5 -2,-0.6 67,-0.2 -0.734 53.7 14.0-107.0 145.3 29.7 16.3 36.2 34 34 A G E + 0 0 2 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.886 68.6 170.3 64.9 40.4 33.4 16.1 35.2 35 35 A I E - D 0 99B 0 64,-3.1 64,-2.1 -3,-0.4 2,-0.3 -0.751 34.4-127.3 -78.8 122.9 34.1 12.6 36.6 36 36 A P E + D 0 98B 3 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.553 33.8 171.8 -73.4 132.1 37.6 11.7 35.3 37 37 A F + 0 0 5 60,-1.5 16,-1.5 -2,-0.3 2,-0.3 0.451 65.8 37.4-110.9 -7.4 37.6 8.3 33.5 38 38 A A B S-N 52 0C 3 59,-1.0 -1,-0.1 14,-0.3 15,-0.1 -0.944 87.9 -97.3-141.1 156.9 41.2 8.6 32.2 39 39 A E - 0 0 15 12,-3.0 12,-0.3 -2,-0.3 14,-0.1 -0.537 66.0 -86.5 -66.0 140.3 44.6 9.9 33.1 40 40 A P - 0 0 28 0, 0.0 2,-2.6 0, 0.0 55,-0.2 -0.346 38.1-132.7 -55.2 123.2 44.9 13.3 31.5 41 41 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.204 61.5 131.3 -75.2 55.2 46.2 12.5 28.0 42 42 A V > - 0 0 63 -2,-2.6 3,-3.1 3,-0.1 4,-0.1 -0.426 53.6 -4.3-103.6 174.2 48.9 15.2 28.2 43 43 A G G > S+ 0 0 46 1,-0.3 3,-1.3 2,-0.2 0, 0.0 -0.171 136.1 7.1 53.5-120.1 52.6 15.5 27.5 44 44 A S G 3 S+ 0 0 89 1,-0.2 -1,-0.3 3,-0.1 224,-0.1 0.576 128.7 64.7 -68.8 -7.7 54.1 12.1 26.5 45 45 A R G X + 0 0 66 -3,-3.1 3,-1.8 -5,-0.1 -1,-0.2 0.559 69.6 117.2 -96.9 -8.1 50.5 10.7 26.4 46 46 A R T < S+ 0 0 11 -3,-1.3 -4,-0.1 1,-0.3 222,-0.1 -0.395 86.2 14.8 -61.0 134.2 49.2 12.8 23.5 47 47 A F T 3 S+ 0 0 1 109,-0.7 122,-0.5 1,-0.3 -1,-0.3 0.157 108.4 117.3 79.0 -14.2 48.2 10.6 20.6 48 48 A M S < S- 0 0 26 -3,-1.8 -1,-0.3 119,-0.1 3,-0.1 -0.472 76.9 -90.9 -84.2 151.8 48.4 7.6 23.0 49 49 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.162 55.4 -94.4 -47.3 149.8 45.6 5.3 24.0 50 50 A P - 0 0 20 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.597 34.7-146.2 -74.5 134.7 43.7 6.5 27.1 51 51 A E - 0 0 100 -12,-0.3 -12,-3.0 -2,-0.3 3,-0.1 -0.862 32.4 -97.2 -98.0 134.8 45.1 5.0 30.4 52 52 A P B -N 38 0C 88 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.165 47.4 -94.4 -52.2 140.4 42.4 4.4 33.1 53 53 A K - 0 0 62 -16,-1.5 -14,-0.1 -14,-0.1 3,-0.1 -0.368 38.7-125.9 -62.5 128.3 42.1 7.1 35.7 54 54 A R - 0 0 157 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.556 38.5 -90.4 -75.6 138.2 44.2 6.4 38.8 55 55 A P - 0 0 81 0, 0.0 -40,-0.2 0, 0.0 2,-0.2 -0.154 44.9-153.9 -53.1 141.5 42.2 6.4 42.1 56 56 A W - 0 0 48 -42,-2.7 2,-0.3 2,-0.1 -40,-0.1 -0.512 10.3-119.8-105.6 175.2 42.1 9.9 43.8 57 57 A S + 0 0 117 -2,-0.2 2,-0.1 -42,-0.1 -42,-0.0 -0.914 67.1 16.2-123.0 157.4 41.6 10.7 47.4 58 58 A G S S- 0 0 49 -2,-0.3 -42,-1.0 2,-0.1 2,-0.8 -0.339 107.4 -41.8 81.6-169.9 39.1 12.7 49.3 59 59 A V E -b 16 0A 43 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.863 57.8-141.2 -99.8 112.4 35.7 13.7 47.8 60 60 A L E -b 17 0A 40 -44,-3.0 -42,-2.7 -2,-0.8 2,-0.6 -0.549 19.1-124.0 -66.8 127.9 36.1 14.8 44.2 61 61 A D E +b 18 0A 81 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.701 33.5 174.6 -76.3 121.2 33.8 17.7 43.4 62 62 A A + 0 0 0 -44,-2.8 -29,-2.8 -2,-0.6 -42,-0.3 -0.401 44.5 108.0-122.5 50.4 31.6 16.6 40.5 63 63 A T S S+ 0 0 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.420 71.7 45.6-115.0 -2.5 29.4 19.7 40.4 64 64 A T S S- 0 0 77 -31,-0.5 -1,-0.1 -3,-0.2 -44,-0.0 -0.987 87.7 -97.7-138.2 152.4 30.6 21.4 37.2 65 65 A F - 0 0 33 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.309 43.2-133.0 -59.7 149.3 31.4 20.4 33.7 66 66 A Q - 0 0 63 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.309 39.9 -49.7 -98.2-177.1 35.1 19.9 33.0 67 67 A N - 0 0 29 28,-0.3 2,-0.4 -2,-0.1 -1,-0.2 -0.080 51.7-124.0 -51.5 151.2 37.4 21.0 30.3 68 68 A V B -o 92 0D 0 23,-2.6 25,-2.4 -3,-0.1 3,-0.1 -0.791 37.3 -97.8 -94.0 141.0 36.5 20.6 26.7 69 69 A a - 0 0 1 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.279 53.8 -83.8 -61.4 146.9 39.0 18.7 24.6 70 70 A Y S S+ 0 0 46 23,-0.4 83,-0.4 22,-0.1 2,-0.3 -0.301 71.2 147.9 -62.3 127.8 41.3 20.9 22.6 71 71 A Q - 0 0 3 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.993 51.9 -81.3-159.5 158.9 39.7 21.9 19.3 72 72 A Y - 0 0 83 52,-0.6 2,-0.5 -2,-0.3 52,-0.0 -0.442 43.3-139.3 -61.0 131.5 39.1 24.4 16.6 73 73 A V - 0 0 61 -2,-0.2 2,-0.2 14,-0.1 14,-0.1 -0.905 18.9-120.0-103.4 121.2 36.6 27.1 17.6 74 74 A D + 0 0 21 -2,-0.5 13,-0.1 9,-0.2 12,-0.0 -0.385 38.3 165.0 -65.2 126.3 34.1 28.1 14.9 75 75 A T + 0 0 95 -2,-0.2 -1,-0.1 3,-0.1 9,-0.0 0.504 40.1 110.9-115.7 -10.9 34.3 31.8 13.9 76 76 A L S S+ 0 0 79 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.778 93.7 21.7 -37.2 -49.1 32.3 31.8 10.6 77 77 A Y S > S- 0 0 34 3,-0.1 3,-1.6 4,-0.0 -1,-0.3 -0.749 83.2-153.3-127.5 86.9 29.4 33.8 12.2 78 78 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.258 80.7 13.2 -52.3 136.1 30.5 35.7 15.4 79 79 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 2,-0.1 0, 0.0 0.246 95.1 133.2 82.7 -10.3 27.7 36.4 17.9 80 80 A F X> - 0 0 26 -3,-1.6 4,-2.3 1,-0.1 3,-1.5 -0.641 49.7-154.2 -91.6 118.3 25.4 33.9 16.1 81 81 A E H 3> S+ 0 0 128 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.868 90.7 66.3 -53.6 -43.8 23.5 31.3 18.2 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.754 116.1 26.4 -52.7 -29.9 23.2 28.8 15.3 83 83 A T H X4 S+ 0 0 2 -3,-1.5 3,-0.9 -6,-0.2 -1,-0.2 0.723 118.3 57.3-102.5 -29.4 27.0 28.3 15.4 84 84 A E H >< S+ 0 0 77 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.868 89.8 71.0 -75.1 -36.4 27.8 29.1 19.0 85 85 A M T 3< S+ 0 0 32 -4,-2.5 47,-0.3 1,-0.3 -1,-0.2 0.744 104.0 46.6 -47.3 -23.2 25.5 26.5 20.5 86 86 A W T < S+ 0 0 22 -3,-0.9 -1,-0.3 -5,-0.2 40,-0.3 0.528 93.9 100.5 -98.3 -9.8 28.1 24.1 19.1 87 87 A N S < S- 0 0 18 -3,-2.4 -14,-0.1 -4,-0.2 40,-0.0 -0.453 88.8 -79.0 -83.1 150.4 31.2 25.9 20.4 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.121 37.3-169.7 -47.8 138.7 33.2 24.9 23.5 89 89 A N + 0 0 50 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.129 68.7 43.7-122.7 14.6 31.5 26.1 26.7 90 90 A R S S- 0 0 108 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.922 106.1 -60.0-145.3 169.2 34.4 25.3 29.1 91 91 A E - 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