==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-12 4ARB . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.BERG,M.S.NIEMIEC,W.QIAN,C.D.ANDERSSON,P.WITTUNGSTAFSHEDE,F . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 700 65.5 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 . 68 6.4 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 . 61 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 27.0 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 8 2 2 5 3 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 . 6 2 4 2 4 1 3 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 . 5 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 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 0 171 0, 0.0 58,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.6 30.6 14.6 55.4 2 2 A G + 0 0 74 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.068 360.0 57.6 138.9 -25.5 27.6 14.9 57.7 3 3 A R S S+ 0 0 113 2,-0.1 2,-0.2 3,-0.0 0, 0.0 0.291 93.3 80.4-114.5 5.7 26.0 18.3 57.0 4 4 A E S S- 0 0 64 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.588 98.1 -67.6-111.6 171.6 25.4 17.8 53.3 5 5 A D > - 0 0 45 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 -0.434 39.4-157.7 -64.2 111.2 22.7 16.0 51.2 6 6 A P G > S+ 0 0 102 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.665 88.6 65.6 -67.2 -15.1 23.1 12.2 52.0 7 7 A Q G 3 S+ 0 0 84 1,-0.2 100,-0.3 3,-0.0 -2,-0.1 0.489 95.5 57.6 -85.7 -0.5 21.4 11.4 48.7 8 8 A L G < S+ 0 0 13 -3,-1.9 11,-3.0 11,-0.1 2,-0.5 0.192 82.3 98.1-113.0 14.1 24.2 12.9 46.6 9 9 A L E < +A 18 0A 34 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.917 45.3 161.4-112.4 124.4 27.1 10.8 47.9 10 10 A V E -A 17 0A 10 7,-2.2 7,-3.4 -2,-0.5 2,-0.5 -0.983 28.2-141.6-142.1 144.4 28.2 7.8 45.9 11 11 A R E +A 16 0A 155 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.948 19.9 179.4-109.8 132.5 31.3 5.6 45.7 12 12 A V E > -A 15 0A 6 3,-3.1 3,-2.1 -2,-0.5 174,-0.1 -0.721 50.5 -83.0-116.8 176.5 32.7 4.3 42.4 13 13 A R T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.2 169,-0.0 0.782 129.6 47.4 -50.8 -33.2 35.8 2.1 41.7 14 14 A G T 3 S- 0 0 11 1,-0.3 42,-2.5 22,-0.1 2,-0.3 0.583 123.3 -86.1 -88.3 -11.3 38.1 5.2 41.8 15 15 A G E < -A 12 0A 6 -3,-2.1 -3,-3.1 40,-0.2 -1,-0.3 -0.936 64.9 -18.6 144.3-162.9 36.7 6.6 45.0 16 16 A Q E -Ab 11 59A 60 42,-0.8 44,-2.7 -2,-0.3 2,-0.3 -0.563 48.8-168.3 -85.6 144.7 34.0 8.8 46.5 17 17 A L E -Ab 10 60A 1 -7,-3.4 -7,-2.2 -2,-0.2 2,-0.5 -0.949 13.9-154.4-128.4 148.5 31.9 11.4 44.6 18 18 A R E -Ab 9 61A 67 42,-2.1 44,-2.8 -2,-0.3 -9,-0.2 -0.981 21.9-171.9-120.3 117.1 29.6 14.2 45.7 19 19 A G - 0 0 4 -11,-3.0 2,-0.4 -2,-0.5 13,-0.2 -0.077 17.8-110.4 -91.5-163.0 27.0 15.1 43.1 20 20 A I E -C 31 0B 54 11,-2.7 11,-2.3 42,-0.3 2,-0.7 -0.981 14.0-124.2-138.5 143.0 24.4 17.9 42.8 21 21 A R E -C 30 0B 137 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.782 35.7-165.3 -86.7 114.8 20.6 18.1 43.1 22 22 A L E -C 29 0B 28 7,-2.9 7,-2.5 -2,-0.7 2,-0.6 -0.777 18.0-121.4-104.6 150.4 19.4 19.8 39.9 23 23 A K E +C 28 0B 76 -2,-0.3 113,-0.1 5,-0.2 7,-0.0 -0.790 29.1 178.3 -91.0 116.8 16.0 21.4 39.2 24 24 A A E > -C 27 0B 9 3,-2.0 3,-2.1 -2,-0.6 113,-0.0 -0.795 45.8-100.5-105.3 160.7 14.0 19.9 36.2 25 25 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.828 121.5 37.7 -51.6 -40.9 10.5 21.3 35.4 26 26 A G T 3 S- 0 0 57 1,-0.3 -3,-0.0 111,-0.1 111,-0.0 0.294 131.5 -53.0 -96.2 9.8 8.7 18.4 37.1 27 27 A G E < S-C 24 0B 21 -3,-2.1 -3,-2.0 2,-0.0 -1,-0.3 -0.824 75.0 -41.4 143.6 178.8 11.1 17.9 40.0 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.8 0, 0.0 2,-0.3 -0.335 42.8-167.4 -77.3 154.2 14.7 17.4 41.1 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.9 75,-0.2 2,-0.4 -0.922 23.3-114.7-130.2 162.5 17.3 15.1 39.4 30 30 A S E -CD 21 103B 0 73,-3.3 73,-2.3 -2,-0.3 2,-0.4 -0.827 30.3-170.3 -95.0 135.2 20.7 13.9 40.5 31 31 A A E -CD 20 102B 0 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.5 -0.992 15.8-175.6-127.5 131.5 23.7 15.0 38.5 32 32 A F E - D 0 101B 0 69,-3.1 69,-2.2 -2,-0.4 3,-0.4 -0.902 23.7-178.8-121.4 99.5 27.3 13.7 38.8 33 33 A L E +n 63 0C 9 29,-2.8 31,-0.6 -2,-0.5 67,-0.2 -0.759 53.1 19.3-109.0 143.5 29.3 15.8 36.4 34 34 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.840 68.8 170.0 70.5 35.8 33.0 15.7 35.6 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.7 -3,-0.4 2,-0.2 -0.699 32.5-130.7 -76.8 119.9 33.8 12.2 36.8 36 36 A P E + D 0 98B 4 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.538 32.5 170.9 -71.1 133.2 37.3 11.3 35.6 37 37 A F + 0 0 4 60,-1.6 16,-1.1 -2,-0.2 2,-0.3 0.435 62.5 32.9-121.7 -5.3 37.4 7.9 33.8 38 38 A A B S-O 52 0D 3 59,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.957 89.0 -92.9-142.8 159.0 41.0 7.9 32.4 39 39 A E - 0 0 15 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.569 65.2 -86.6 -66.3 138.4 44.4 9.3 33.3 40 40 A P - 0 0 31 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.266 37.0-136.4 -49.9 122.5 44.8 12.7 31.6 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.330 59.3 130.1 -85.1 60.9 46.1 11.9 28.1 42 42 A V > - 0 0 63 -2,-2.0 3,-2.1 4,-0.1 2,-0.2 -0.654 56.0 -3.8-112.9 162.9 48.7 14.7 28.2 43 43 A G G > S+ 0 0 45 1,-0.3 3,-1.8 -2,-0.2 0, 0.0 -0.379 136.6 7.9 63.2-123.0 52.4 15.1 27.5 44 44 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -2,-0.2 224,-0.0 0.619 128.9 63.9 -67.3 -11.1 53.9 11.7 26.6 45 45 A R G X S+ 0 0 65 -3,-2.1 3,-1.7 -5,-0.1 -1,-0.3 0.463 71.9 121.4 -93.0 -1.9 50.4 10.3 26.6 46 46 A R T < S+ 0 0 14 -3,-1.8 -4,-0.1 1,-0.3 222,-0.1 -0.415 83.9 11.5 -61.6 137.2 49.3 12.4 23.6 47 47 A F T 3 S+ 0 0 2 109,-0.5 122,-0.5 1,-0.2 -1,-0.3 0.287 107.7 120.2 74.6 -5.9 48.1 10.2 20.7 48 48 A M S < S- 0 0 26 -3,-1.7 -1,-0.2 119,-0.1 3,-0.1 -0.547 75.3 -93.0 -90.0 152.7 48.1 7.2 23.0 49 49 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 -0.301 55.0-101.6 -53.2 142.7 45.3 4.8 24.1 50 50 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.364 29.5-142.2 -70.3 151.5 43.7 6.0 27.4 51 51 A E - 0 0 87 -12,-0.4 -12,-2.8 -3,-0.1 3,-0.1 -0.910 32.9 -94.2-109.1 142.9 44.7 4.4 30.7 52 52 A P B -O 38 0D 88 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.220 50.0 -97.1 -51.5 140.3 42.0 3.8 33.3 53 53 A K - 0 0 63 -16,-1.1 -14,-0.1 -15,-0.1 3,-0.1 -0.383 37.9-125.6 -58.4 135.2 41.9 6.6 35.9 54 54 A R - 0 0 148 1,-0.1 -40,-0.1 -3,-0.1 -1,-0.1 -0.666 39.7 -85.9 -84.7 144.1 43.9 5.8 39.1 55 55 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.047 42.9-144.9 -50.0 144.3 41.9 6.0 42.4 56 56 A W - 0 0 47 -42,-2.5 2,-0.3 2,-0.1 -40,-0.2 -0.692 13.7-115.6-104.9 164.7 41.7 9.4 44.1 57 57 A S S S- 0 0 119 -2,-0.2 -42,-0.0 -42,-0.1 2,-0.0 -0.787 71.7 -3.1 -99.5 145.6 41.7 10.2 47.8 58 58 A G S S- 0 0 49 -2,-0.3 -42,-0.8 1,-0.1 2,-0.8 -0.257 108.3 -28.4 78.5-163.2 38.7 11.8 49.6 59 59 A V E -b 16 0A 50 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.817 56.6-146.5 -98.8 109.6 35.5 13.1 48.1 60 60 A L E -b 17 0A 41 -44,-2.7 -42,-2.1 -2,-0.8 2,-0.4 -0.585 20.1-125.5 -71.1 126.0 35.8 14.2 44.5 61 61 A D E +b 18 0A 76 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.634 30.5 178.2 -73.4 125.6 33.4 17.1 43.8 62 62 A A + 0 0 0 -44,-2.8 -29,-2.8 -2,-0.4 -42,-0.3 -0.326 45.5 107.6-123.7 48.6 31.2 16.2 40.8 63 63 A T B S+n 33 0C 35 -31,-0.2 2,-0.3 -44,-0.2 -29,-0.1 0.396 71.3 49.1-108.3 -2.4 29.0 19.3 40.6 64 64 A T S S- 0 0 89 -31,-0.6 -1,-0.1 -3,-0.2 2,-0.0 -0.985 86.1-100.1-139.6 149.7 30.4 21.0 37.5 65 65 A F - 0 0 38 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.363 41.9-132.6 -62.8 145.8 31.2 20.0 33.9 66 66 A Q - 0 0 64 1,-0.2 63,-0.1 30,-0.1 -32,-0.1 -0.329 41.3 -50.7 -91.6 179.6 34.9 19.4 33.3 67 67 A N - 0 0 29 28,-0.3 2,-0.4 -2,-0.1 31,-0.2 -0.031 51.5-122.1 -48.8 147.7 37.2 20.6 30.5 68 68 A V E -p 92 0E 0 23,-2.3 25,-2.2 -3,-0.1 3,-0.1 -0.771 38.4 -98.9 -90.5 137.5 36.2 20.2 26.8 69 69 A a E -p 93 0E 2 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.268 53.2 -85.4 -57.2 141.8 38.7 18.3 24.7 70 70 A Y S S+ 0 0 48 23,-0.8 83,-0.3 22,-0.1 2,-0.3 -0.242 71.4 149.4 -55.1 130.5 41.1 20.5 22.8 71 71 A Q - 0 0 4 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.990 50.8 -78.4-160.7 162.4 39.4 21.5 19.5 72 72 A Y - 0 0 72 52,-0.8 2,-0.6 -2,-0.3 205,-0.0 -0.449 43.3-139.9 -63.0 133.9 38.8 23.8 16.6 73 73 A V - 0 0 61 -2,-0.2 2,-0.2 14,-0.1 14,-0.1 -0.908 18.9-120.3-103.9 119.8 36.4 26.6 17.6 74 74 A D + 0 0 22 -2,-0.6 13,-0.1 9,-0.1 12,-0.0 -0.373 36.5 168.7 -60.4 123.7 33.8 27.6 14.8 75 75 A T + 0 0 87 -2,-0.2 -1,-0.1 3,-0.1 9,-0.0 0.194 41.2 111.9-119.4 12.6 34.2 31.3 13.8 76 76 A L S S+ 0 0 61 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.926 96.6 13.0 -54.2 -52.3 32.0 31.3 10.7 77 77 A Y S > S- 0 0 35 3,-0.1 3,-1.7 -3,-0.0 6,-0.3 -0.739 88.8-148.8-128.0 84.8 29.3 33.5 12.3 78 78 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.273 79.4 5.8 -57.1 127.3 30.8 34.9 15.5 79 79 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 2,-0.1 -4,-0.0 0.195 93.4 132.1 85.9 -16.9 28.2 35.5 18.3 80 80 A F X> - 0 0 36 -3,-1.7 4,-2.8 1,-0.1 3,-1.1 -0.555 56.3-140.8 -73.4 128.1 25.4 33.9 16.3 81 81 A E H 3> S+ 0 0 57 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.810 96.4 65.6 -60.2 -32.7 23.5 31.4 18.4 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.817 116.2 27.4 -64.3 -31.8 23.1 28.9 15.6 83 83 A T H X> S+ 0 0 1 -3,-1.1 3,-1.6 -6,-0.3 4,-0.5 0.827 117.0 57.7 -92.1 -42.2 26.8 28.3 15.6 84 84 A E H >< S+ 0 0 79 -4,-2.8 3,-1.2 1,-0.3 -3,-0.2 0.797 91.6 71.2 -65.2 -27.3 27.8 29.2 19.2 85 85 A M T 3< S+ 0 0 58 -4,-2.0 47,-0.3 1,-0.3 -1,-0.3 0.739 102.3 44.8 -62.1 -21.3 25.4 26.5 20.6 86 86 A W T <4 S+ 0 0 47 -3,-1.6 -1,-0.3 -5,-0.1 40,-0.2 0.575 95.4 99.5 -96.5 -11.7 27.8 23.8 19.3 87 87 A N S << S- 0 0 14 -3,-1.2 -14,-0.1 -4,-0.5 40,-0.1 -0.310 90.2 -75.8 -74.9 158.4 31.0 25.6 20.5 88 88 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.219 37.5-170.4 -51.0 136.7 32.9 24.6 23.7 89 89 A N + 0 0 45 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.218 69.7 46.3-117.3 10.0 31.2 25.9 26.8 90 90 A R S S- 0 0 118 1,-0.0 -22,-0.1 0, 0.0 -24,-0.1 -0.916 105.8 -64.4-139.0 170.5 34.1 25.1 29.2 91 91 A E - 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0 0 12 -3,-2.3 -3,-0.1 -6,-0.2 170,-0.0 -0.490 59.4-136.1 -75.2 133.9 34.2 12.2 -7.7 365 371 A S > - 0 0 59 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.199 37.8 -98.3 -65.3 173.9 35.8 11.8 -11.1 366 372 A D H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.930 126.4 48.9 -65.5 -43.8 34.5 14.1 -13.8 367 373 A L H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 111.5 49.3 -61.1 -43.0 32.2 11.4 -15.2 368 374 A A H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 110.7 49.6 -64.5 -41.0 30.8 10.6 -11.7 369 375 A A H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.926 109.5 53.1 -62.5 -44.2 30.2 14.3 -11.0 370 376 A E H X S+ 0 0 68 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 106.8 51.7 -53.6 -46.5 28.4 14.4 -14.4 371 377 A A H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.914 110.8 49.0 -58.6 -42.0 26.2 11.5 -13.3 372 378 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.947 112.2 46.2 -64.4 -50.1 25.4 13.4 -10.1 373 379 A V H X S+ 0 0 7 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.889 113.4 50.8 -58.2 -40.8 24.5 16.7 -11.8 374 380 A L H < S+ 0 0 11 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.904 112.4 46.0 -65.6 -42.7 22.4 14.7 -14.4 375 381 A H H < S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.852 117.8 40.8 -69.7 -37.4 20.5 12.9 -11.7 376 382 A Y H < S+ 0 0 22 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.662 91.4 101.7 -90.9 -15.0 19.7 15.9 -9.5 377 383 A T S < S- 0 0 1 -4,-1.7 2,-0.9 -5,-0.2 6,-0.1 -0.461 71.3-134.3 -68.2 136.0 18.9 18.4 -12.3 378 384 A D > - 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