==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-10 2XUH . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,P.TAYLOR,P.MARCHOT . 1070 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 5.8 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 . 59 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 11.8 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 . 19 1.8 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 2 2 5 2 1 1 6 0 1 2 0 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 4 3 3 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 . 2 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 2 0 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 0 149 0, 0.0 2,-1.4 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 -25.9 30.9 14.4 55.4 2 2 A G T 3 + 0 0 70 1,-0.2 3,-0.1 4,-0.0 0, 0.0 -0.568 360.0 56.3 -98.9 78.6 27.9 15.0 57.6 3 3 A R T 3 S+ 0 0 257 -2,-1.4 -1,-0.2 1,-0.1 2,-0.1 0.107 91.6 83.7-159.9 -10.0 26.0 18.2 56.9 4 4 A E S < S- 0 0 69 -3,-1.1 5,-0.1 1,-0.1 -1,-0.1 -0.467 97.6 -63.0-102.9 173.8 25.3 17.7 53.2 5 5 A D > - 0 0 45 1,-0.2 3,-2.1 -2,-0.1 4,-0.2 -0.343 39.0-152.7 -65.5 113.8 22.7 15.9 51.3 6 6 A P T 3 S+ 0 0 110 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.609 91.9 63.6 -62.2 -9.3 23.0 12.1 52.1 7 7 A Q T 3 S+ 0 0 51 1,-0.2 100,-0.2 12,-0.0 -2,-0.1 0.438 95.3 56.8 -98.5 0.8 21.5 11.3 48.7 8 8 A L S < S+ 0 0 13 -3,-2.1 11,-2.4 11,-0.1 2,-0.6 0.260 81.2 97.0-115.4 11.8 24.4 12.8 46.7 9 9 A L E +A 18 0A 30 -3,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.907 47.0 158.6-104.4 114.0 27.2 10.8 48.2 10 10 A V E -A 17 0A 8 7,-1.9 7,-3.6 -2,-0.6 2,-0.4 -0.956 29.0-139.5-132.5 148.8 28.2 7.8 46.0 11 11 A R E -A 16 0A 152 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.871 19.0-178.6-106.5 143.5 31.4 5.7 45.8 12 12 A V E > -A 15 0A 8 3,-3.4 3,-1.8 -2,-0.4 174,-0.1 -0.793 49.1 -84.4-127.6 177.7 33.0 4.3 42.6 13 13 A R T 3 S+ 0 0 153 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.836 129.7 47.4 -49.2 -36.9 36.1 2.2 41.9 14 14 A G T 3 S- 0 0 9 1,-0.2 42,-3.1 41,-0.1 2,-0.3 0.596 123.4 -84.8 -85.7 -13.3 38.2 5.3 42.0 15 15 A G E < -A 12 0A 3 -3,-1.8 -3,-3.4 40,-0.2 2,-0.3 -0.929 65.0 -22.1 145.1-166.3 36.8 6.7 45.2 16 16 A Q E -Ab 11 59A 59 42,-0.6 44,-3.0 -2,-0.3 2,-0.4 -0.590 50.5-165.1 -83.4 138.4 34.0 8.8 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.6 -7,-1.9 -2,-0.3 2,-0.5 -0.936 11.9-155.9-120.5 147.2 32.0 11.4 44.7 18 18 A R E -Ab 9 61A 63 42,-2.4 44,-3.2 -2,-0.4 -9,-0.2 -0.989 21.8-179.4-116.9 124.9 29.7 14.2 45.7 19 19 A G - 0 0 4 -11,-2.4 2,-0.4 -2,-0.5 13,-0.2 -0.189 21.1-103.0-104.9-159.7 27.1 15.2 43.2 20 20 A I E -C 31 0B 55 11,-2.4 11,-1.7 42,-0.3 2,-0.7 -0.979 13.9-124.4-139.5 135.8 24.4 17.8 43.0 21 21 A R E -C 30 0B 147 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.720 38.4-166.2 -74.7 113.8 20.6 18.1 43.3 22 22 A L E -C 29 0B 30 7,-3.0 7,-2.1 -2,-0.7 2,-0.5 -0.790 15.9-122.8-102.9 153.5 19.5 19.7 40.0 23 23 A K E +C 28 0B 175 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.805 29.4 174.9 -98.0 127.5 16.0 21.2 39.3 24 24 A A E > -C 27 0B 5 3,-1.4 3,-1.0 -2,-0.5 432,-0.0 -0.876 46.2-101.3-121.0 162.5 13.9 19.9 36.4 25 25 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 431,-0.1 0.891 123.0 40.0 -51.6 -47.7 10.3 21.0 35.6 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.665 129.6 -71.7 -76.8 -17.2 8.8 17.9 37.1 27 27 A G E < S-C 24 0B 18 -3,-1.0 -3,-1.4 2,-0.0 -1,-0.2 -0.954 70.9 -23.4 151.4-171.1 11.2 17.8 40.0 28 28 A P E -C 23 0B 43 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.327 43.0-172.2 -76.5 150.5 14.7 17.1 41.3 29 29 A V E -CD 22 104B 0 -7,-2.1 -7,-3.0 75,-0.2 2,-0.4 -0.970 23.5-121.6-133.6 151.3 17.4 14.9 39.6 30 30 A S E -CD 21 103B 0 73,-2.4 73,-2.7 -2,-0.3 2,-0.4 -0.755 29.6-170.3 -90.7 137.5 20.8 13.7 40.8 31 31 A A E -CD 20 102B 0 -11,-1.7 -11,-2.4 -2,-0.4 2,-0.5 -0.995 18.9-171.6-130.5 141.8 23.8 14.6 38.7 32 32 A F E + D 0 101B 0 69,-2.9 69,-1.9 -2,-0.4 3,-0.4 -0.863 23.8 178.9-128.4 90.3 27.4 13.5 38.9 33 33 A L E +m 63 0C 10 29,-2.3 31,-0.6 -2,-0.5 67,-0.2 -0.743 54.2 22.7-101.2 143.4 29.3 15.7 36.5 34 34 A G E + 0 0 3 65,-0.4 -1,-0.2 -2,-0.3 66,-0.2 0.828 68.1 168.2 77.0 37.0 33.0 15.7 35.8 35 35 A I E - D 0 99B 0 64,-2.8 64,-2.1 -3,-0.4 2,-0.3 -0.707 34.2-130.1 -85.5 118.6 33.9 12.2 36.9 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.527 32.1 171.8 -70.4 130.6 37.4 11.4 35.7 37 37 A F + 0 0 5 60,-1.8 16,-1.5 -2,-0.3 2,-0.3 0.532 62.6 30.4-114.5 -9.7 37.5 8.0 33.9 38 38 A A B S-N 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.946 89.6 -92.3-139.5 161.4 41.1 8.0 32.6 39 39 A E - 0 0 26 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.545 65.8 -86.0 -65.4 138.8 44.4 9.4 33.4 40 40 A P - 0 0 32 0, 0.0 2,-1.5 0, 0.0 55,-0.2 -0.270 36.3-136.0 -50.8 124.1 44.8 12.9 31.7 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.218 60.3 130.1 -81.4 51.8 46.1 12.1 28.2 42 42 A V > - 0 0 62 -2,-1.5 3,-2.1 3,-0.1 2,-0.2 -0.531 56.4 -3.5 -99.4 163.3 48.6 14.9 28.4 43 43 A G G > S+ 0 0 42 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.362 136.6 9.4 68.4-121.3 52.4 15.2 27.7 44 44 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -2,-0.2 227,-0.1 0.663 127.8 65.0 -67.6 -12.4 53.9 11.9 26.9 45 45 A R G X + 0 0 57 -3,-2.1 3,-2.2 -5,-0.1 -1,-0.3 0.516 69.0 123.0 -91.6 -1.5 50.4 10.5 26.7 46 46 A R T < S+ 0 0 12 -3,-1.6 -4,-0.1 1,-0.3 111,-0.1 -0.377 86.4 8.4 -61.9 136.9 49.3 12.6 23.7 47 47 A F T 3 S+ 0 0 3 109,-0.5 122,-0.4 1,-0.2 -1,-0.3 0.344 106.9 121.3 66.1 -2.5 48.1 10.3 20.9 48 48 A M S < S- 0 0 63 -3,-2.2 -1,-0.2 -7,-0.1 3,-0.1 -0.562 74.3 -92.8 -87.2 153.6 48.3 7.3 23.3 49 49 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.291 56.1 -95.6 -51.6 144.9 45.5 4.9 24.3 50 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.450 32.9-143.5 -70.0 143.1 43.8 6.1 27.4 51 51 A E - 0 0 71 -12,-0.4 -12,-2.9 -2,-0.1 3,-0.1 -0.879 33.0 -95.5-101.4 138.0 45.0 4.6 30.7 52 52 A P B -N 38 0D 85 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.223 49.0 -95.8 -51.1 135.5 42.3 3.9 33.5 53 53 A K - 0 0 66 -16,-1.5 -14,-0.1 1,-0.1 3,-0.1 -0.284 38.4-123.2 -58.1 134.2 42.0 6.7 36.1 54 54 A R - 0 0 134 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.581 36.5 -94.0 -79.8 140.3 44.0 6.0 39.2 55 55 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.085 40.4-149.4 -54.5 150.4 42.1 6.0 42.5 56 56 A W - 0 0 47 -42,-3.1 2,-0.3 2,-0.1 -40,-0.3 -0.881 7.7-127.6-119.2 154.8 41.8 9.2 44.6 57 57 A S S S+ 0 0 121 -2,-0.3 -42,-0.0 -42,-0.1 -43,-0.0 -0.719 71.2 21.3 -95.0 154.3 41.5 9.9 48.3 58 58 A G S S- 0 0 49 -2,-0.3 2,-0.7 2,-0.1 -42,-0.6 -0.069 105.6 -45.5 79.3 178.9 38.8 12.2 49.7 59 59 A V E -b 16 0A 54 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.738 54.3-141.3 -91.5 116.2 35.5 13.2 48.2 60 60 A L E -b 17 0A 40 -44,-3.0 -42,-2.4 -2,-0.7 2,-0.7 -0.588 19.9-122.7 -73.9 132.8 35.8 14.2 44.6 61 61 A D E +b 18 0A 78 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.2 -0.703 34.6 173.0 -81.7 119.0 33.6 17.1 43.7 62 62 A A + 0 0 0 -44,-3.2 -29,-2.3 -2,-0.7 -42,-0.3 -0.282 42.5 109.4-120.1 44.7 31.3 16.1 40.9 63 63 A T B S+m 33 0C 34 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.1 0.480 72.4 40.9-103.2 -4.6 29.0 19.1 40.8 64 64 A T S S- 0 0 77 -31,-0.6 -1,-0.1 -3,-0.2 -3,-0.0 -0.998 85.7 -94.1-146.2 149.2 30.1 20.8 37.5 65 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.179 44.1-139.6 -54.2 152.4 31.0 19.9 34.0 66 66 A Q - 0 0 66 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.360 39.4 -43.6-113.7-176.0 34.7 19.5 33.4 67 67 A N - 0 0 25 28,-0.2 2,-0.3 -2,-0.1 31,-0.2 -0.148 51.4-127.9 -58.0 146.0 37.1 20.6 30.5 68 68 A V E -o 92 0E 0 23,-1.9 25,-2.3 -3,-0.1 59,-0.1 -0.674 36.4 -98.5 -85.0 145.3 36.1 20.1 26.9 69 69 A a E -o 93 0E 1 57,-0.4 25,-0.2 -2,-0.3 57,-0.1 -0.363 51.9 -83.2 -69.8 148.2 38.7 18.3 24.8 70 70 A Y S S+ 0 0 47 23,-0.6 83,-0.4 22,-0.1 2,-0.3 -0.219 72.7 140.2 -57.8 132.2 41.0 20.5 22.6 71 71 A Q - 0 0 4 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.991 54.6 -72.4-166.2 162.1 39.2 21.5 19.4 72 72 A Y - 0 0 98 52,-0.7 2,-0.6 -2,-0.3 52,-0.0 -0.452 41.8-144.3 -63.1 134.7 38.4 24.0 16.7 73 73 A V - 0 0 63 -2,-0.1 14,-0.1 14,-0.1 11,-0.1 -0.944 23.0-117.3-104.1 122.3 36.0 26.7 17.9 74 74 A D + 0 0 22 -2,-0.6 13,-0.0 9,-0.2 9,-0.0 -0.264 40.5 164.1 -62.5 140.5 33.6 27.8 15.1 75 75 A T + 0 0 98 3,-0.1 -1,-0.1 8,-0.0 9,-0.0 0.506 43.9 103.8-135.6 -14.1 33.8 31.5 14.1 76 76 A L S S+ 0 0 81 1,-0.2 -2,-0.0 7,-0.0 261,-0.0 0.786 99.3 22.9 -39.9 -40.3 32.0 31.8 10.7 77 77 A Y S > S- 0 0 29 3,-0.1 3,-1.4 4,-0.0 6,-0.3 -0.694 82.5-156.4-136.5 86.7 29.0 33.4 12.6 78 78 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.348 78.6 9.6 -63.2 135.5 29.9 35.1 15.9 79 79 A G T 3 S+ 0 0 68 1,-0.3 2,-0.4 2,-0.1 3,-0.0 0.276 93.3 132.6 85.8 -11.4 27.1 35.5 18.5 80 80 A F X> - 0 0 26 -3,-1.4 4,-2.3 1,-0.1 3,-1.1 -0.600 53.9-147.0 -79.6 124.5 24.8 33.4 16.4 81 81 A E H 3> S+ 0 0 147 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.915 93.1 69.3 -59.8 -38.1 23.0 30.7 18.4 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 353,-0.1 0.713 115.5 21.9 -53.2 -31.0 23.0 28.3 15.5 83 83 A T H X> S+ 0 0 5 -3,-1.1 3,-1.8 -6,-0.3 4,-0.6 0.773 118.6 60.2-102.4 -41.5 26.8 27.8 15.7 84 84 A E H >< S+ 0 0 80 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.830 92.4 67.8 -57.4 -36.4 27.5 28.8 19.3 85 85 A M T 3< S+ 0 0 55 -4,-2.7 47,-0.3 1,-0.3 -1,-0.3 0.745 105.0 43.5 -61.8 -19.2 25.3 26.1 20.7 86 86 A W T <4 S+ 0 0 61 -3,-1.8 40,-0.3 -5,-0.2 -1,-0.3 0.581 95.0 100.8 -97.6 -11.1 27.8 23.5 19.4 87 87 A N S << S- 0 0 17 -3,-1.2 -14,-0.1 -4,-0.6 40,-0.0 -0.362 90.0 -81.2 -73.7 152.8 30.9 25.4 20.5 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.213 37.3-170.4 -53.3 139.3 32.8 24.4 23.8 89 89 A N S S+ 0 0 54 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.083 70.6 46.6-124.0 15.9 31.1 25.8 26.9 90 90 A R S S- 0 0 107 40,-0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.875 107.1 -66.0-140.4 175.1 33.9 24.9 29.4 91 91 A E - 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