==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAR-99 1CFJ . COMPND 2 MOLECULE: PROTEIN (ACETYLCHOLINESTERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR C.B.MILLARD,I.SILMAN,J.L.SUSSMAN . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 1 0 4 2 0 1 3 0 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 1 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 PARALLEL BRIDGES PER LADDER . 1 0 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 1 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 4 A S > 0 0 115 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.6 -12.3 87.6 35.1 2 5 A E T 3 + 0 0 70 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.684 360.0 52.0 -68.5 -23.3 -8.9 86.5 36.6 3 6 A L T 3 S+ 0 0 38 11,-0.1 11,-3.0 10,-0.1 2,-0.5 0.300 96.4 81.4 -97.0 5.4 -10.6 85.0 39.6 4 7 A L E < +A 13 0A 63 -3,-1.2 2,-0.4 9,-0.2 9,-0.2 -0.953 56.0 172.9-116.4 124.8 -12.9 83.0 37.4 5 8 A V E -A 12 0A 2 7,-2.4 7,-3.5 -2,-0.5 2,-0.6 -0.990 22.3-146.0-131.8 140.2 -11.6 79.7 36.1 6 9 A N E +A 11 0A 97 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.935 25.9 176.0-110.6 121.0 -13.5 77.1 34.2 7 10 A T E > -A 10 0A 10 3,-2.6 3,-1.3 -2,-0.6 173,-0.1 -0.644 47.6 -93.7-116.0 175.9 -12.4 73.6 34.9 8 11 A K T 3 S+ 0 0 119 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.602 125.2 47.3 -65.2 -14.1 -13.6 70.1 33.8 9 12 A S T 3 S- 0 0 17 1,-0.5 42,-3.2 41,-0.1 -1,-0.3 0.412 127.0 -71.7-107.8 -1.7 -15.7 69.8 37.0 10 13 A G E < -A 7 0A 11 -3,-1.3 -3,-2.6 40,-0.2 -1,-0.5 -0.805 65.2 -46.0 138.6 179.7 -17.3 73.2 36.8 11 14 A K E -Ab 6 54A 94 42,-0.9 44,-3.2 40,-0.4 2,-0.4 -0.657 50.1-159.8 -87.4 139.4 -16.6 76.9 37.1 12 15 A V E -Ab 5 55A 0 -7,-3.5 -7,-2.4 -2,-0.3 2,-0.5 -0.937 4.9-150.9-121.7 141.5 -14.6 78.1 40.1 13 16 A M E -Ab 4 56A 56 42,-3.5 44,-3.2 -2,-0.4 -9,-0.2 -0.920 16.9-172.1-120.4 116.0 -14.4 81.5 41.7 14 17 A G - 0 0 5 -11,-3.0 2,-0.3 -2,-0.5 13,-0.2 0.191 15.0-123.7 -84.0-162.1 -11.4 82.8 43.6 15 18 A T E -C 26 0B 44 11,-1.8 11,-1.7 42,-0.2 2,-0.3 -0.985 21.6-113.4-148.3 146.8 -10.4 85.7 45.7 16 19 A R E -C 25 0B 121 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.649 33.4-166.1 -84.6 138.0 -7.6 88.3 45.5 17 20 A V E -C 24 0B 25 7,-3.0 7,-2.6 -2,-0.3 2,-0.2 -0.992 17.1-130.8-131.6 136.1 -5.0 88.2 48.3 18 21 A P E +C 23 0B 85 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.531 30.4 171.2 -78.2 143.2 -2.4 90.6 49.3 19 22 A V E > -C 22 0B 4 3,-2.5 3,-1.6 -2,-0.2 -2,-0.0 -0.863 64.2 -15.6-157.8 119.9 1.1 89.2 49.8 20 23 A L T 3 S- 0 0 50 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.913 128.6 -46.0 48.5 59.5 4.3 91.2 50.4 21 24 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.319 133.5 68.4 70.5 -7.3 2.9 94.7 49.3 22 25 A S E < S-C 19 0B 30 -3,-1.6 -3,-2.5 -5,-0.0 2,-0.3 -0.356 75.7-114.8-121.9-160.7 1.4 93.0 46.2 23 26 A H E +C 18 0B 74 -5,-0.3 77,-0.4 77,-0.1 2,-0.3 -0.993 19.5 177.4-146.0 153.8 -1.4 90.5 45.3 24 27 A I E -C 17 0B 1 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.3 -0.868 35.7 -96.9-141.6 175.8 -2.1 87.1 43.8 25 28 A S E -CD 16 98B 0 73,-2.6 73,-2.0 -2,-0.3 2,-0.4 -0.668 32.0-165.5 -95.2 152.9 -5.2 84.9 43.2 26 29 A A E -CD 15 97B 0 -11,-1.7 -11,-1.8 -2,-0.3 2,-0.7 -0.983 12.2-166.1-142.5 128.6 -6.3 82.2 45.6 27 30 A F E - D 0 96B 0 69,-2.8 69,-2.0 -2,-0.4 3,-0.4 -0.884 22.7-170.5-113.6 95.1 -8.8 79.4 44.9 28 31 A L E + 0 0 17 29,-2.5 31,-0.4 -2,-0.7 67,-0.2 -0.671 57.1 6.1 -93.3 141.8 -9.5 78.0 48.3 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.831 68.0 172.7 61.4 40.1 -11.5 74.8 49.0 30 33 A I E - D 0 94B 0 64,-2.3 64,-2.7 -3,-0.4 2,-0.3 -0.683 32.5-127.7 -76.7 126.6 -12.0 73.5 45.4 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.631 33.9 171.7 -79.9 134.2 -13.6 69.9 45.9 32 35 A F + 0 0 4 60,-1.6 16,-0.9 -2,-0.3 2,-0.3 0.483 64.2 36.8-119.2 -2.6 -11.9 67.0 44.1 33 36 A A B S-M 47 0C 3 59,-0.9 -1,-0.1 14,-0.3 59,-0.1 -0.971 88.4 -95.2-144.2 156.0 -13.8 64.1 45.6 34 37 A E - 0 0 34 12,-2.5 12,-0.4 -2,-0.3 14,-0.1 -0.492 63.2 -88.2 -65.3 138.3 -17.4 63.2 46.7 35 38 A P - 0 0 28 0, 0.0 2,-3.0 0, 0.0 55,-0.1 -0.339 39.3-134.9 -52.0 116.6 -17.6 63.8 50.5 36 39 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.305 58.1 136.1 -74.6 67.0 -16.5 60.4 51.9 37 40 A V > + 0 0 61 -2,-3.0 3,-2.7 3,-0.1 2,-0.1 -0.593 49.2 0.5-113.1 170.9 -19.3 60.4 54.4 38 41 A G G > S+ 0 0 49 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.302 136.6 0.4 56.6-125.4 -21.8 57.9 55.7 39 42 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -2,-0.1 4,-0.1 0.588 128.0 69.5 -71.1 -9.3 -21.3 54.5 54.1 40 43 A M G X + 0 0 38 -3,-2.7 3,-1.5 -5,-0.1 -1,-0.3 0.566 70.0 116.6 -85.3 -3.8 -18.5 56.0 52.2 41 44 A R T < S+ 0 0 11 -3,-1.9 -4,-0.1 1,-0.3 3,-0.1 -0.436 88.3 9.2 -63.3 132.9 -16.4 56.3 55.4 42 45 A F T 3 S+ 0 0 3 108,-0.7 121,-0.5 1,-0.3 -1,-0.3 0.174 107.4 118.3 77.8 -13.4 -13.3 54.0 55.0 43 46 A R S < S- 0 0 67 -3,-1.5 -1,-0.3 118,-0.2 117,-0.1 -0.316 77.7 -85.9 -80.6 163.7 -14.1 53.5 51.3 44 47 A R - 0 0 69 115,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.290 57.6 -96.9 -59.9 154.9 -12.0 54.5 48.3 45 48 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.433 35.3-144.3 -75.3 152.1 -12.6 58.1 47.3 46 49 A E - 0 0 85 -12,-0.4 -12,-2.5 -2,-0.1 2,-0.1 -0.861 27.6 -94.7-114.5 150.8 -15.0 58.9 44.4 47 50 A P B -M 33 0C 87 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.398 43.5-105.7 -62.8 136.4 -14.6 61.7 41.9 48 51 A K - 0 0 39 -16,-0.9 3,-0.1 -14,-0.1 -14,-0.1 -0.440 37.6-118.1 -62.2 127.3 -16.4 64.9 42.6 49 52 A K - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.519 37.6-102.0 -68.6 135.3 -19.5 65.1 40.4 50 53 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.177 41.3-144.0 -56.3 148.9 -19.2 68.2 38.1 51 54 A W - 0 0 37 -42,-3.2 -40,-0.4 2,-0.1 2,-0.2 -0.901 6.6-136.6-125.5 155.3 -21.3 71.2 39.1 52 55 A S S S+ 0 0 117 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.539 73.2 31.9 -94.5 163.6 -23.2 73.9 37.4 53 56 A G S S- 0 0 48 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.345 105.1 -52.0 81.3-176.0 -23.0 77.4 38.6 54 57 A V E -b 11 0A 83 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.902 45.5-133.8-109.1 125.1 -19.9 79.0 40.2 55 58 A W E -b 12 0A 69 -44,-3.2 -42,-3.5 -2,-0.5 2,-0.8 -0.650 19.9-130.3 -81.3 127.5 -18.0 77.4 43.0 56 59 A N E +b 13 0A 109 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.2 -0.659 34.7 169.5 -75.6 110.5 -17.2 79.9 45.7 57 60 A A + 0 0 0 -44,-3.2 -29,-2.5 -2,-0.8 -42,-0.2 -0.355 42.5 106.0-118.4 50.9 -13.5 79.3 46.3 58 61 A S S S+ 0 0 41 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.570 73.1 46.1-106.3 -13.8 -12.8 82.3 48.4 59 62 A T S S- 0 0 91 -31,-0.4 -1,-0.0 -3,-0.2 -44,-0.0 -0.893 89.6 -93.7-127.3 159.1 -12.4 80.7 51.9 60 63 A Y - 0 0 39 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.298 40.7-122.1 -66.4 151.3 -10.6 77.6 53.3 61 64 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.241 36.9 -77.1 -86.8-179.1 -12.4 74.3 53.6 62 65 A N - 0 0 53 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.302 46.1-120.2 -67.3 161.4 -12.9 72.2 56.6 63 66 A N B -n 87 0D 4 23,-1.9 25,-2.0 1,-0.1 58,-0.1 -0.759 36.4 -95.8-100.5 151.7 -10.0 70.1 57.9 64 67 A a - 0 0 3 56,-0.4 25,-0.2 -2,-0.3 2,-0.2 -0.319 51.0 -86.0 -64.9 153.8 -10.4 66.4 58.1 65 68 A Q + 0 0 30 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.429 69.0 151.1 -60.9 127.3 -11.5 64.9 61.4 66 69 A Q - 0 0 2 -2,-0.2 53,-0.2 -3,-0.1 2,-0.1 -0.971 50.7 -83.3-155.8 165.3 -8.4 64.3 63.5 67 70 A Y - 0 0 88 51,-1.0 2,-0.5 -2,-0.3 206,-0.0 -0.434 46.2-139.6 -67.2 143.0 -6.9 64.1 67.0 68 71 A V - 0 0 39 -2,-0.1 2,-0.5 14,-0.1 11,-0.1 -0.951 11.1-121.4-120.4 128.8 -6.1 67.5 68.4 69 72 A D + 0 0 25 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.538 39.1 161.1 -65.6 113.1 -2.9 68.3 70.3 70 73 A E + 0 0 139 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 0.151 39.8 112.6-119.1 16.3 -4.0 69.7 73.8 71 74 A Q S S+ 0 0 94 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.838 92.6 20.1 -56.7 -35.8 -0.6 69.0 75.4 72 75 A F S > S- 0 0 41 3,-0.1 3,-2.8 -3,-0.1 -1,-0.3 -0.555 84.8-152.2-139.7 73.8 0.0 72.8 75.8 73 76 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.144 83.4 10.5 -47.5 129.0 -3.3 74.7 75.5 74 77 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 2,-0.1 3,-0.1 0.394 93.2 131.9 79.6 -6.3 -2.7 78.2 74.2 75 78 A F X> - 0 0 37 -3,-2.8 4,-2.4 1,-0.2 3,-0.7 -0.693 47.8-154.7 -82.4 123.5 0.9 77.5 73.2 76 79 A S H 3> S+ 0 0 68 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.873 87.4 69.1 -65.0 -34.7 1.6 78.6 69.6 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.782 117.5 21.6 -53.7 -34.5 4.4 76.1 69.1 78 81 A S H X4 S+ 0 0 0 -3,-0.7 3,-1.1 -6,-0.2 4,-0.4 0.691 118.7 60.4-106.6 -27.3 2.0 73.3 69.2 79 82 A E H >< S+ 0 0 69 -4,-2.4 3,-1.1 1,-0.2 -3,-0.2 0.795 90.6 72.0 -73.8 -22.9 -1.3 75.0 68.3 80 83 A M T 3< S+ 0 0 58 -4,-2.5 46,-0.4 1,-0.3 -1,-0.2 0.635 99.8 47.6 -65.1 -13.0 0.2 76.1 64.9 81 84 A W T < S+ 0 0 53 -3,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.543 94.0 96.6-101.1 -14.8 -0.1 72.5 63.8 82 85 A N S < S- 0 0 18 -3,-1.1 2,-0.2 -4,-0.4 -14,-0.1 -0.273 93.7 -80.8 -76.3 162.3 -3.6 71.9 65.0 83 86 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.484 35.9-165.5 -65.7 127.9 -6.6 72.3 62.7 84 87 A N + 0 0 67 -2,-0.2 2,-0.3 -4,-0.1 -2,-0.0 0.032 68.1 58.3 -99.9 21.7 -7.5 75.9 62.4 85 88 A R S S- 0 0 109 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.893 101.2 -71.6-141.7 175.3 -10.8 75.1 60.9 86 89 A E - 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