==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-07 2JGJ . 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) . 38560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 686 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.4 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 . 59 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.4 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 7 2 3 5 2 1 2 5 1 1 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 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 . 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 . 2 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 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.7 30.5 15.0 55.7 2 2 A G + 0 0 70 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.224 360.0 53.3 101.3 -43.5 27.6 15.0 58.1 3 3 A R S S+ 0 0 248 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.586 86.2 96.8-102.2 -16.6 25.9 18.1 56.7 4 4 A E S S- 0 0 65 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.195 92.7 -80.9 -71.7 164.4 25.6 17.3 52.9 5 5 A D > - 0 0 45 1,-0.2 3,-2.2 3,-0.1 -1,-0.1 -0.557 41.5-146.2 -63.7 112.6 22.6 16.0 51.1 6 6 A P G > S+ 0 0 110 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.687 93.7 63.2 -61.5 -16.9 23.0 12.3 51.9 7 7 A Q G 3 S+ 0 0 52 1,-0.2 100,-0.2 3,-0.0 -2,-0.1 0.434 94.9 60.5 -88.4 0.6 21.6 11.3 48.5 8 8 A L G < S+ 0 0 16 -3,-2.2 11,-2.3 11,-0.1 2,-0.7 0.286 80.3 94.4-110.9 10.4 24.5 13.0 46.6 9 9 A L E < +A 18 0A 35 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.908 49.1 163.4-109.0 112.6 27.3 10.9 48.1 10 10 A V E -A 17 0A 8 7,-2.0 7,-3.4 -2,-0.7 2,-0.4 -0.942 27.8-139.8-127.8 147.3 28.3 7.9 45.9 11 11 A R E +A 16 0A 159 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.924 20.4 179.1-106.6 132.6 31.4 5.6 45.8 12 12 A V E > -A 15 0A 5 3,-3.0 3,-2.4 -2,-0.4 174,-0.1 -0.792 49.3 -87.4-120.1 171.4 32.9 4.4 42.5 13 13 A R T 3 S+ 0 0 164 1,-0.3 3,-0.1 -2,-0.3 169,-0.0 0.789 127.8 48.3 -49.0 -34.2 36.0 2.2 41.9 14 14 A G T 3 S- 0 0 11 1,-0.2 42,-2.7 22,-0.1 2,-0.3 0.585 123.2 -82.5 -85.3 -11.6 38.3 5.2 41.9 15 15 A G E < -A 12 0A 4 -3,-2.4 -3,-3.0 40,-0.2 2,-0.2 -0.943 65.7 -21.2 144.7-165.7 36.9 6.8 45.1 16 16 A Q E -Ab 11 59A 63 42,-0.9 44,-3.0 -2,-0.3 2,-0.4 -0.588 50.5-161.0 -86.2 142.2 34.2 8.9 46.7 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-2.0 -2,-0.2 2,-0.5 -0.953 13.5-159.7-125.9 143.9 32.0 11.4 44.8 18 18 A R E -Ab 9 61A 65 42,-2.6 44,-3.1 -2,-0.4 -9,-0.2 -0.986 21.3-178.1-117.3 120.3 29.8 14.4 45.7 19 19 A G - 0 0 4 -11,-2.3 2,-0.3 -2,-0.5 13,-0.2 -0.330 21.6-107.1-102.7-170.6 27.2 15.3 43.1 20 20 A I E -C 31 0B 58 11,-2.4 11,-2.2 42,-0.4 2,-0.6 -0.928 14.9-125.0-128.4 144.0 24.6 18.1 42.8 21 21 A R E -C 30 0B 133 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.788 36.9-164.2 -85.5 121.6 20.8 18.3 43.1 22 22 A L E -C 29 0B 26 7,-2.8 7,-2.2 -2,-0.6 2,-0.5 -0.874 17.4-121.5-113.9 145.4 19.5 20.0 40.0 23 23 A K E +C 28 0B 138 -2,-0.4 113,-0.1 5,-0.2 3,-0.0 -0.721 30.6 174.2 -85.2 121.1 16.2 21.5 39.1 24 24 A A E > -C 27 0B 2 3,-1.9 3,-1.8 -2,-0.5 430,-0.0 -0.846 47.2-100.0-113.3 161.8 14.2 20.1 36.2 25 25 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.884 122.7 38.5 -50.3 -47.8 10.7 21.2 35.3 26 26 A G T 3 S- 0 0 57 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.423 131.3 -65.3 -83.7 1.8 8.9 18.3 37.0 27 27 A G E < S-C 24 0B 6 -3,-1.8 -3,-1.9 2,-0.0 -1,-0.2 -0.890 73.2 -29.0 142.1-172.9 11.3 18.1 40.0 28 28 A P E -C 23 0B 32 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.381 42.9-168.2 -82.7 155.3 14.9 17.5 41.1 29 29 A V E -CD 22 104B 0 -7,-2.2 -7,-2.8 75,-0.2 2,-0.5 -0.948 23.0-119.2-132.0 154.5 17.6 15.2 39.5 30 30 A S E -CD 21 103B 0 73,-2.5 73,-2.5 -2,-0.3 2,-0.4 -0.833 31.7-174.7 -92.0 131.8 21.0 13.9 40.7 31 31 A A E -CD 20 102B 0 -11,-2.2 -11,-2.4 -2,-0.5 2,-0.5 -0.985 17.1-169.2-125.1 140.5 23.9 14.9 38.5 32 32 A F E - D 0 101B 0 69,-3.0 69,-2.0 -2,-0.4 3,-0.4 -0.911 22.3-171.8-124.6 100.7 27.6 13.8 38.8 33 33 A L E +m 63 0C 10 29,-2.9 31,-0.5 -2,-0.5 67,-0.2 -0.727 55.1 12.4-105.4 143.1 29.6 16.0 36.5 34 34 A G E + 0 0 3 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.926 68.2 172.1 62.6 49.0 33.2 15.7 35.5 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.4 -3,-0.4 2,-0.2 -0.785 32.5-127.4 -81.5 123.1 34.1 12.3 36.9 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.548 34.3 169.7 -71.0 139.1 37.6 11.3 35.7 37 37 A F + 0 0 6 60,-1.5 16,-1.2 -2,-0.2 2,-0.3 0.431 63.5 34.7-124.6 -8.1 37.7 7.9 33.9 38 38 A A B S-N 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.943 88.7 -95.5-136.4 160.6 41.2 8.0 32.5 39 39 A E - 0 0 32 12,-3.3 12,-0.3 -2,-0.3 14,-0.1 -0.577 65.1 -85.9 -64.8 137.4 44.6 9.4 33.4 40 40 A P - 0 0 30 0, 0.0 2,-2.2 0, 0.0 55,-0.2 -0.288 36.4-134.0 -50.4 121.7 45.0 12.8 31.7 41 41 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.205 60.5 134.1 -76.9 52.4 46.3 12.0 28.2 42 42 A V > - 0 0 60 -2,-2.2 3,-2.5 3,-0.1 2,-0.1 -0.453 55.0 -7.9-100.4 166.4 48.9 14.8 28.5 43 43 A G G > S+ 0 0 49 1,-0.3 3,-1.3 2,-0.2 0, 0.0 -0.236 137.2 9.6 57.6-119.2 52.7 15.1 27.7 44 44 A S G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.572 127.1 66.3 -67.0 -7.2 54.2 11.7 26.7 45 45 A R G X + 0 0 63 -3,-2.5 3,-1.9 -5,-0.1 -1,-0.2 0.548 69.3 119.5 -94.0 -8.8 50.6 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 -0.372 86.5 10.2 -58.6 133.0 49.5 12.5 23.6 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.3 -1,-0.3 0.230 107.8 118.8 76.4 -9.3 48.4 10.1 20.8 48 48 A M S < S- 0 0 27 -3,-1.9 -1,-0.3 119,-0.1 3,-0.1 -0.573 74.2 -96.3 -87.6 148.3 48.5 7.2 23.2 49 49 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.109 53.4 -93.2 -49.6 153.7 45.6 4.9 24.2 50 50 A P - 0 0 24 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.575 30.4-148.9 -77.3 142.5 43.9 5.9 27.5 51 51 A E - 0 0 93 -12,-0.3 -12,-3.3 -2,-0.2 3,-0.1 -0.935 35.6 -97.9-105.2 133.3 45.0 4.4 30.8 52 52 A P B -N 38 0D 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.066 47.9 -90.7 -48.6 146.0 42.2 4.1 33.4 53 53 A K - 0 0 66 -16,-1.2 -14,-0.1 -15,-0.1 3,-0.1 -0.378 41.2-122.9 -62.8 134.5 42.0 6.8 36.1 54 54 A R - 0 0 146 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.591 38.0 -91.5 -80.4 139.1 44.1 6.1 39.2 55 55 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.108 43.1-151.1 -52.3 145.7 42.1 6.0 42.5 56 56 A W - 0 0 51 -42,-2.7 2,-0.3 2,-0.1 -40,-0.2 -0.705 10.0-120.5-111.9 166.2 42.0 9.4 44.4 57 57 A S S S+ 0 0 115 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.782 70.8 11.3-106.2 155.9 41.7 10.1 48.1 58 58 A G S S- 0 0 47 -2,-0.3 -42,-0.9 2,-0.1 2,-0.7 -0.248 106.3 -39.1 78.2-168.0 38.9 12.1 49.7 59 59 A V E -b 16 0A 54 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.875 55.4-140.4-101.1 116.3 35.6 13.2 48.1 60 60 A L E -b 17 0A 38 -44,-3.0 -42,-2.6 -2,-0.7 2,-0.7 -0.568 18.2-125.7 -69.7 128.0 35.8 14.3 44.5 61 61 A D E +b 18 0A 74 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.711 32.8 174.7 -76.9 115.5 33.7 17.3 43.8 62 62 A A + 0 0 0 -44,-3.1 -29,-2.9 -2,-0.7 -42,-0.4 -0.386 44.0 107.7-118.9 50.5 31.5 16.2 40.8 63 63 A T B S+m 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.428 70.6 48.5-111.8 -5.5 29.3 19.3 40.7 64 64 A T S S- 0 0 75 -31,-0.5 -1,-0.1 -3,-0.2 2,-0.0 -0.974 85.9 -99.7-135.5 154.8 30.6 21.0 37.5 65 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.361 42.3-136.2 -64.2 148.4 31.4 20.1 33.9 66 66 A Q - 0 0 65 1,-0.3 63,-0.1 30,-0.1 -32,-0.1 -0.370 39.2 -48.5-100.3-179.1 35.1 19.6 33.3 67 67 A N - 0 0 26 28,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.049 50.5-124.7 -47.4 153.1 37.3 20.7 30.5 68 68 A V E -o 92 0E 0 23,-2.6 25,-2.2 -3,-0.1 59,-0.1 -0.788 37.2 -97.1 -95.9 146.3 36.5 20.2 26.9 69 69 A a E -o 93 0E 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.390 53.2 -85.6 -66.6 142.8 38.9 18.3 24.7 70 70 A Y S S+ 0 0 48 23,-0.6 83,-0.3 -2,-0.1 2,-0.3 -0.234 70.4 151.4 -58.0 128.0 41.3 20.6 22.7 71 71 A Q - 0 0 4 -3,-0.1 54,-0.1 83,-0.1 2,-0.1 -0.992 50.2 -83.8-156.9 157.8 39.6 21.6 19.5 72 72 A Y - 0 0 85 52,-0.6 2,-0.4 -2,-0.3 205,-0.0 -0.413 43.9-142.4 -57.3 136.4 39.1 23.9 16.6 73 73 A V - 0 0 59 -2,-0.1 2,-0.3 14,-0.1 14,-0.1 -0.941 14.1-121.2-113.1 129.7 36.5 26.7 17.5 74 74 A D + 0 0 19 -2,-0.4 13,-0.1 9,-0.2 12,-0.0 -0.528 39.1 160.1 -74.4 126.3 34.0 27.9 14.9 75 75 A T + 0 0 94 -2,-0.3 -1,-0.1 3,-0.1 9,-0.0 0.355 40.1 109.3-125.5 3.0 34.3 31.6 14.2 76 76 A L S S+ 0 0 80 1,-0.3 -1,-0.0 7,-0.0 -2,-0.0 0.858 95.7 23.0 -47.4 -44.9 32.5 31.8 10.7 77 77 A Y S > S- 0 0 30 3,-0.1 3,-1.8 4,-0.0 6,-0.3 -0.636 86.3-156.6-127.1 77.1 29.5 33.6 12.3 78 78 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.309 77.2 12.7 -61.6 120.0 30.6 35.3 15.6 79 79 A G T 3 S+ 0 0 71 1,-0.3 2,-0.4 -2,-0.2 -4,-0.0 0.177 92.9 129.1 105.4 -12.4 27.8 35.9 18.1 80 80 A F X> - 0 0 31 -3,-1.8 4,-2.7 1,-0.1 3,-1.1 -0.646 54.0-147.8 -87.3 123.7 25.3 33.7 16.2 81 81 A E H 3> S+ 0 0 125 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.843 93.3 69.4 -59.6 -36.5 23.4 31.1 18.4 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.825 116.1 23.1 -52.7 -38.5 23.3 28.7 15.4 83 83 A T H X4 S+ 0 0 2 -3,-1.1 3,-1.5 -6,-0.3 4,-0.4 0.804 118.2 60.8 -94.5 -37.2 27.0 28.2 15.6 84 84 A E H >< S+ 0 0 76 -4,-2.7 3,-2.1 1,-0.3 -3,-0.2 0.857 91.9 67.2 -63.2 -36.5 27.8 29.1 19.2 85 85 A M T 3< S+ 0 0 37 -4,-2.4 47,-0.3 1,-0.3 -1,-0.3 0.729 102.8 47.9 -55.5 -24.0 25.5 26.4 20.6 86 86 A W T < S+ 0 0 43 -3,-1.5 -1,-0.3 -5,-0.2 40,-0.3 0.500 94.4 101.6 -94.2 -5.4 28.0 23.8 19.2 87 87 A N S < S- 0 0 18 -3,-2.1 -14,-0.1 -4,-0.4 40,-0.0 -0.431 87.5 -80.6 -84.0 153.5 31.1 25.5 20.6 88 88 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.202 37.2-171.5 -51.3 134.3 33.2 24.6 23.7 89 89 A N + 0 0 53 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.110 67.8 46.1-120.1 15.3 31.5 25.9 26.9 90 90 A R S S- 0 0 111 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.906 106.4 -60.7-143.1 171.5 34.3 25.0 29.3 91 91 A E - 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