==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-09 2WHP . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.EKSTROM,A.HORNBERG,E.ARTURSSON,L.G.HAMMARSTROM, . 1060 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 65.2 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 . 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 . 61 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 27.3 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 7 2 1 6 4 1 2 5 0 2 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 4 2 4 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 . 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 0 155 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.6 29.9 14.6 54.8 2 2 A G + 0 0 68 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.561 360.0 26.3 148.4 -67.1 28.1 15.3 58.1 3 3 A R S S+ 0 0 241 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.267 103.1 107.1-103.2 5.5 25.9 18.2 57.1 4 4 A E S S- 0 0 71 1,-0.1 -2,-0.2 2,-0.0 5,-0.1 -0.336 86.7 -85.2 -88.8 166.5 25.8 17.3 53.4 5 5 A D > - 0 0 46 1,-0.2 3,-2.1 -2,-0.1 4,-0.1 -0.617 35.2-151.3 -75.1 113.1 22.8 15.9 51.5 6 6 A P G > S+ 0 0 97 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.704 90.8 66.2 -62.3 -18.7 23.1 12.1 52.1 7 7 A Q G 3 S+ 0 0 78 1,-0.2 100,-0.2 99,-0.0 -2,-0.1 0.580 97.1 54.6 -79.4 -5.8 21.5 11.5 48.7 8 8 A L G < S+ 0 0 16 -3,-2.1 11,-2.8 11,-0.1 2,-0.6 0.217 81.9 95.4-112.7 10.8 24.4 13.0 46.7 9 9 A L E < +A 18 0A 31 -3,-0.8 2,-0.3 9,-0.2 9,-0.2 -0.929 47.3 162.4-109.6 124.7 27.4 11.0 48.1 10 10 A V E -A 17 0A 11 7,-2.0 7,-3.8 -2,-0.6 2,-0.4 -0.977 27.9-139.6-141.4 149.3 28.4 7.9 46.0 11 11 A R E +A 16 0A 157 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.939 19.7 179.9-113.8 133.0 31.5 5.7 45.7 12 12 A V E > -A 15 0A 6 3,-3.3 3,-2.3 -2,-0.4 174,-0.1 -0.699 50.6 -82.6-120.9 175.9 33.0 4.4 42.5 13 13 A R T 3 S+ 0 0 166 1,-0.3 3,-0.1 -2,-0.2 169,-0.0 0.861 130.4 45.1 -49.1 -39.1 36.0 2.2 41.7 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.4 22,-0.1 2,-0.3 0.548 123.0 -86.1 -84.7 -6.8 38.3 5.2 41.9 15 15 A G E < -A 12 0A 5 -3,-2.3 -3,-3.3 40,-0.2 2,-0.3 -0.938 64.7 -16.0 141.6-162.7 36.8 6.7 45.0 16 16 A Q E -Ab 11 59A 59 42,-0.8 44,-3.0 -2,-0.3 2,-0.3 -0.623 48.5-166.8 -90.5 141.9 34.2 8.9 46.6 17 17 A L E -Ab 10 60A 1 -7,-3.8 -7,-2.0 -2,-0.3 2,-0.5 -0.927 12.2-156.0-125.0 148.0 32.1 11.4 44.7 18 18 A R E -Ab 9 61A 58 42,-2.1 44,-2.7 -2,-0.3 -9,-0.2 -0.978 20.7-173.0-123.4 121.4 29.8 14.2 45.7 19 19 A G - 0 0 4 -11,-2.8 2,-0.4 -2,-0.5 13,-0.2 -0.131 17.8-112.1 -98.8-167.0 27.1 15.2 43.2 20 20 A I E -C 31 0B 56 11,-2.9 11,-2.8 42,-0.3 2,-0.6 -0.971 15.0-124.3-133.9 144.9 24.6 18.0 42.9 21 21 A R E -C 30 0B 136 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.798 34.7-167.6 -86.6 121.4 20.9 18.3 43.2 22 22 A L E -C 29 0B 26 7,-2.8 7,-2.3 -2,-0.6 2,-0.6 -0.792 19.5-121.0-110.3 155.6 19.5 20.0 40.0 23 23 A K E -C 28 0B 142 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.822 26.9-179.0 -94.8 121.3 16.0 21.3 39.3 24 24 A A E > -C 27 0B 2 3,-2.7 3,-1.6 -2,-0.6 113,-0.0 -0.775 45.3-101.4-105.0 166.5 14.2 19.8 36.3 25 25 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.857 121.6 38.1 -59.9 -36.8 10.7 21.3 35.6 26 26 A G T 3 S- 0 0 60 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.357 131.4 -51.9 -93.7 4.5 8.8 18.4 37.2 27 27 A G E < S-C 24 0B 18 -3,-1.6 -3,-2.7 2,-0.0 -1,-0.2 -0.910 74.4 -42.0 150.4-176.9 11.2 17.9 40.1 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.425 41.8-168.9 -83.2 157.0 14.8 17.4 41.2 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.8 75,-0.2 2,-0.5 -0.938 23.5-116.4-134.1 160.7 17.5 15.1 39.7 30 30 A S E -CD 21 103B 0 73,-3.2 73,-2.1 -2,-0.3 2,-0.4 -0.827 30.3-169.3 -95.4 132.3 20.9 13.9 40.8 31 31 A A E -CD 20 102B 0 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.5 -0.984 16.1-174.7-124.1 138.4 23.9 15.0 38.7 32 32 A F E + D 0 101B 0 69,-2.8 69,-2.9 -2,-0.4 2,-0.4 -0.924 23.1 179.1-126.8 101.5 27.5 13.8 38.9 33 33 A L E +n 63 0C 10 29,-2.4 31,-0.6 -2,-0.5 67,-0.2 -0.830 52.1 21.6-111.9 140.2 29.5 16.0 36.5 34 34 A G E + 0 0 5 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.838 68.9 167.2 80.3 33.8 33.2 15.9 35.7 35 35 A I E - D 0 99B 0 64,-2.6 64,-2.5 -3,-0.3 -1,-0.2 -0.719 33.6-130.7 -84.1 122.3 34.0 12.4 36.8 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.508 32.0 170.7 -72.7 138.6 37.5 11.4 35.5 37 37 A F + 0 0 5 60,-1.5 16,-1.0 -2,-0.2 2,-0.3 0.378 64.7 37.2-123.4 -3.3 37.6 8.1 33.8 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.976 87.7 -97.2-141.1 155.3 41.1 8.3 32.4 39 39 A E - 0 0 16 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.549 65.3 -87.2 -62.0 135.4 44.6 9.6 33.3 40 40 A P - 0 0 32 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.214 37.2-135.7 -46.3 122.7 44.9 13.0 31.6 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.341 60.2 127.1 -86.0 63.3 46.2 12.2 28.2 42 42 A V > + 0 0 63 -2,-2.0 3,-2.4 4,-0.1 2,-0.1 -0.610 56.1 1.6-112.6 167.5 48.8 15.1 28.2 43 43 A G G > S+ 0 0 46 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.332 137.1 6.3 62.6-125.7 52.6 15.3 27.6 44 44 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.628 129.2 64.6 -66.5 -10.2 54.0 12.0 26.7 45 45 A R G X + 0 0 70 -3,-2.4 3,-2.4 -5,-0.1 -1,-0.3 0.557 69.5 120.3 -94.0 -6.9 50.5 10.6 26.6 46 46 A R T < S+ 0 0 14 -3,-1.6 -4,-0.1 1,-0.3 222,-0.1 -0.351 84.3 13.1 -55.0 137.5 49.3 12.7 23.7 47 47 A F T 3 S+ 0 0 3 109,-0.6 122,-0.4 1,-0.3 -1,-0.3 0.370 106.4 119.4 74.2 -2.4 48.1 10.5 20.8 48 48 A M S < S- 0 0 36 -3,-2.4 -1,-0.3 119,-0.1 3,-0.1 -0.617 76.0 -92.9 -97.2 155.0 48.2 7.4 23.1 49 49 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.289 57.7 -97.5 -52.9 146.3 45.4 5.0 24.1 50 50 A P - 0 0 22 0, 0.0 -12,-0.0 0, 0.0 3,-0.0 -0.398 31.7-139.0 -72.1 151.9 43.8 6.3 27.3 51 51 A E - 0 0 73 -12,-0.4 -12,-2.9 -3,-0.1 3,-0.1 -0.911 30.8 -99.1-110.3 135.5 44.9 4.8 30.6 52 52 A P B -O 38 0D 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.240 47.8-100.2 -51.5 139.1 42.3 4.0 33.3 53 53 A K - 0 0 65 -16,-1.0 -14,-0.1 -15,-0.1 3,-0.1 -0.399 35.1-124.9 -67.1 139.9 42.2 6.8 35.9 54 54 A R - 0 0 130 1,-0.1 -1,-0.1 -2,-0.1 -40,-0.1 -0.635 37.3 -88.7 -90.2 143.7 44.0 5.9 39.1 55 55 A P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.078 42.4-151.1 -51.4 147.2 42.0 6.1 42.4 56 56 A W - 0 0 51 -42,-2.4 2,-0.3 2,-0.1 -40,-0.2 -0.642 10.4-121.4-111.8 170.1 42.0 9.5 44.2 57 57 A S S S+ 0 0 115 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.833 70.4 17.9-112.7 157.8 41.7 10.2 47.9 58 58 A G S S- 0 0 49 -2,-0.3 -42,-0.8 2,-0.1 2,-0.7 -0.234 107.4 -44.4 80.5-173.5 39.0 12.3 49.6 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.853 56.2-139.1 -97.4 119.0 35.7 13.2 48.1 60 60 A L E -b 17 0A 39 -44,-3.0 -42,-2.1 -2,-0.7 2,-0.7 -0.630 19.9-124.0 -75.4 127.4 36.0 14.3 44.5 61 61 A D E +b 18 0A 82 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.669 33.6 174.6 -76.4 114.6 33.7 17.3 43.8 62 62 A A + 0 0 0 -44,-2.7 -29,-2.4 -2,-0.7 -42,-0.3 -0.363 44.1 107.7-113.8 50.5 31.4 16.3 40.9 63 63 A T B S+n 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.495 73.2 46.1-107.6 -7.2 29.1 19.3 40.8 64 64 A T S S- 0 0 87 -31,-0.6 -1,-0.1 -3,-0.3 2,-0.0 -0.973 86.8 -96.8-136.7 151.7 30.4 21.0 37.6 65 65 A F - 0 0 39 -2,-0.3 3,-0.1 64,-0.1 2,-0.1 -0.341 42.0-132.3 -60.0 145.4 31.3 20.1 34.1 66 66 A Q - 0 0 60 1,-0.2 63,-0.1 30,-0.1 30,-0.1 -0.263 40.9 -53.8 -91.2-179.5 35.0 19.5 33.4 67 67 A N - 0 0 30 28,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.124 51.9-121.4 -54.3 149.3 37.2 20.8 30.6 68 68 A V E -p 92 0E 0 23,-2.3 25,-2.3 -3,-0.1 3,-0.1 -0.770 37.0 -98.2 -90.1 138.4 36.3 20.4 27.0 69 69 A a E -p 93 0E 2 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.315 53.9 -88.6 -57.7 136.8 38.8 18.5 24.8 70 70 A Y + 0 0 52 23,-0.8 83,-0.3 22,-0.1 2,-0.3 -0.173 69.0 149.6 -54.1 132.7 41.0 20.9 22.9 71 71 A Q - 0 0 6 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.997 50.7 -81.2-161.1 159.4 39.4 21.8 19.6 72 72 A Y - 0 0 70 52,-0.6 2,-0.5 -2,-0.3 52,-0.0 -0.378 43.6-139.0 -59.8 136.8 38.8 24.2 16.7 73 73 A V - 0 0 58 -2,-0.1 14,-0.1 14,-0.1 -1,-0.0 -0.934 17.2-120.3-109.6 122.5 36.1 26.8 17.6 74 74 A D + 0 0 25 -2,-0.5 13,-0.0 9,-0.1 9,-0.0 -0.291 35.4 168.3 -60.4 135.7 33.6 27.7 14.9 75 75 A T + 0 0 95 3,-0.1 -1,-0.1 1,-0.0 9,-0.0 0.224 38.1 112.8-135.5 19.3 33.6 31.4 13.9 76 76 A L S S+ 0 0 65 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.906 93.8 19.8 -59.2 -45.7 31.5 31.6 10.7 77 77 A Y S > S- 0 0 33 3,-0.1 3,-1.9 4,-0.0 6,-0.3 -0.600 88.6-145.0-131.0 74.6 28.7 33.6 12.4 78 78 A P T 3 S- 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.051 78.1 -0.8 -43.4 119.8 29.9 35.3 15.6 79 79 A G T 3 S+ 0 0 66 1,-0.3 2,-0.5 2,-0.1 -4,-0.0 0.418 94.0 132.7 81.2 -2.4 27.4 35.5 18.5 80 80 A F X> - 0 0 30 -3,-1.9 4,-2.4 1,-0.1 3,-1.4 -0.733 57.3-139.8 -84.9 124.9 24.7 33.9 16.4 81 81 A E H 3> S+ 0 0 57 -2,-0.5 4,-2.0 1,-0.3 5,-0.2 0.788 96.3 71.4 -59.8 -29.2 22.9 31.1 18.5 82 82 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.872 115.6 22.3 -55.5 -40.5 22.8 28.9 15.4 83 83 A T H X4 S+ 0 0 1 -3,-1.4 3,-1.1 -6,-0.3 4,-0.4 0.804 118.1 62.4 -94.6 -32.6 26.5 28.3 15.6 84 84 A E H >< S+ 0 0 74 -4,-2.4 3,-1.6 1,-0.3 -3,-0.2 0.826 88.7 68.1 -66.7 -35.0 27.2 29.2 19.3 85 85 A M T 3< S+ 0 0 55 -4,-2.0 47,-0.3 1,-0.3 -1,-0.3 0.800 103.2 48.3 -55.5 -28.5 25.1 26.4 20.8 86 86 A W T < S+ 0 0 43 -3,-1.1 -1,-0.3 -5,-0.2 40,-0.2 0.588 92.6 101.4 -87.0 -13.1 27.6 23.9 19.4 87 87 A N S < S- 0 0 21 -3,-1.6 -14,-0.1 -4,-0.4 40,-0.0 -0.372 87.4 -81.1 -76.6 154.3 30.7 25.7 20.7 88 88 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.186 36.2-170.1 -48.5 133.8 32.8 24.7 23.8 89 89 A N + 0 0 47 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.173 68.2 44.3-117.4 16.1 31.2 26.0 27.0 90 90 A R S S- 0 0 119 0, 0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.912 106.3 -61.5-142.8 172.5 34.1 25.2 29.4 91 91 A E - 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