==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-09 2WIG . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,N.AURBEK,E.GILLON,M.LOIODICE,Y.NICOLET, . 526 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 5.5 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 . 1 0.2 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 3 0 1 1 3 0 0 3 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 . 0 0 1 2 1 0 1 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 . 0 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 3 A D 0 0 148 0, 0.0 2,-0.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 121.6 -36.8 -18.4 -49.9 2 4 A I + 0 0 43 11,-0.3 11,-1.9 2,-0.0 2,-0.5 -0.842 360.0 169.6-113.3 107.9 -33.3 -17.8 -48.3 3 5 A I E -A 12 0A 52 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.941 11.2-167.0-119.0 132.0 -30.2 -18.1 -50.3 4 6 A I E -A 11 0A 17 7,-2.4 7,-2.1 -2,-0.5 2,-0.7 -0.952 18.1-134.0-118.3 134.0 -26.8 -16.9 -49.1 5 7 A A E -A 10 0A 68 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.804 28.5-174.9 -86.9 118.8 -23.8 -16.5 -51.3 6 8 A T E > -A 9 0A 15 3,-2.8 3,-1.0 -2,-0.7 173,-0.1 -0.673 43.0-100.5-104.2 164.9 -20.7 -18.1 -49.7 7 9 A K T 3 S+ 0 0 133 1,-0.2 42,-0.1 -2,-0.2 3,-0.1 0.795 125.4 40.3 -49.0 -29.6 -17.1 -18.0 -50.9 8 10 A N T 3 S- 0 0 29 1,-0.4 42,-2.1 40,-0.1 2,-0.3 0.523 128.7 -62.4-104.5 -7.4 -17.6 -21.6 -52.2 9 11 A G E < -A 6 0A 14 -3,-1.0 -3,-2.8 40,-0.2 -1,-0.4 -0.897 66.3 -50.7 154.2-177.1 -21.1 -21.2 -53.6 10 12 A K E -Ab 5 53A 102 42,-1.1 44,-2.4 -2,-0.3 2,-0.4 -0.567 43.0-163.3 -85.9 151.0 -24.7 -20.5 -52.8 11 13 A V E -Ab 4 54A 0 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.4 -0.999 8.0-149.5-135.2 136.7 -26.6 -22.3 -50.1 12 14 A R E -Ab 3 55A 64 42,-3.3 44,-3.0 -2,-0.4 -9,-0.2 -0.875 18.7-172.1-103.0 140.8 -30.3 -22.5 -49.5 13 15 A G - 0 0 4 -11,-1.9 2,-0.3 -2,-0.4 -11,-0.3 -0.311 17.0-117.7-114.8-165.0 -31.6 -22.8 -45.9 14 16 A M E -C 25 0B 64 11,-2.1 11,-2.2 42,-0.2 2,-0.3 -0.990 19.1-118.3-142.4 148.4 -35.0 -23.4 -44.4 15 17 A Q E -C 24 0B 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.665 26.8-165.7 -91.6 144.9 -37.2 -21.4 -42.1 16 18 A L E -C 23 0B 34 7,-2.5 7,-2.5 -2,-0.3 2,-0.6 -0.984 17.6-134.2-130.5 137.9 -38.2 -22.6 -38.6 17 19 A T E +C 22 0B 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.783 32.6 169.3 -90.9 124.2 -40.9 -21.5 -36.3 18 20 A V E > -C 21 0B 4 3,-1.8 3,-0.6 -2,-0.6 -2,-0.1 -0.953 66.3 -21.0-137.9 120.2 -39.6 -21.1 -32.8 19 21 A F T 3 S- 0 0 61 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.908 125.2 -52.0 52.2 48.1 -41.4 -19.5 -30.0 20 22 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.800 126.7 82.7 65.7 30.7 -43.7 -17.5 -32.4 21 23 A G E < S-C 18 0B 19 -3,-0.6 -3,-1.8 -5,-0.0 2,-0.4 -0.769 78.3 -99.5-146.9-174.5 -40.7 -16.2 -34.3 22 24 A T E -CD 17 99B 49 77,-0.5 77,-1.2 -2,-0.2 2,-0.4 -0.972 23.4-176.1-128.2 135.2 -38.5 -17.4 -37.0 23 25 A V E -CD 16 98B 0 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.5 -0.957 19.4-141.5-116.7 140.3 -35.1 -18.9 -37.3 24 26 A T E -CD 15 97B 6 73,-2.3 73,-2.8 -2,-0.4 2,-0.4 -0.896 19.8-165.9 -99.6 123.5 -33.2 -19.8 -40.5 25 27 A A E -CD 14 96B 0 -11,-2.2 -11,-2.1 -2,-0.5 2,-0.6 -0.898 14.4-167.1-113.0 130.4 -31.3 -23.0 -40.3 26 28 A F E - D 0 95B 0 69,-3.3 69,-1.9 -2,-0.4 3,-0.5 -0.882 22.0-169.7-116.3 90.5 -28.7 -24.0 -42.8 27 29 A L E +m 57 0C 12 29,-1.8 31,-0.8 -2,-0.6 67,-0.2 -0.708 57.1 8.4 -88.8 132.9 -28.1 -27.6 -42.0 28 30 A G E + 0 0 3 -2,-0.4 -1,-0.2 65,-0.2 66,-0.2 0.889 68.8 170.2 72.5 46.2 -25.3 -29.7 -43.4 29 31 A I E - D 0 93B 0 64,-3.0 64,-2.9 -3,-0.5 -1,-0.2 -0.727 35.1-121.7 -80.8 134.8 -23.1 -27.2 -45.3 30 32 A P E + D 0 92B 8 0, 0.0 62,-0.3 0, 0.0 3,-0.1 -0.489 31.3 176.8 -80.2 149.5 -19.8 -28.8 -46.4 31 33 A Y + 0 0 6 60,-2.2 16,-0.4 1,-0.2 2,-0.3 0.509 62.9 22.0-130.1 -8.2 -16.6 -27.2 -45.2 32 34 A A S S- 0 0 2 59,-1.0 14,-0.2 14,-0.2 -1,-0.2 -0.943 90.6 -80.7-146.5 171.3 -13.9 -29.5 -46.6 33 35 A Q - 0 0 67 12,-2.7 12,-0.5 -2,-0.3 14,-0.1 -0.612 63.7 -93.7 -70.5 139.2 -13.3 -32.1 -49.3 34 36 A P - 0 0 47 0, 0.0 2,-1.7 0, 0.0 55,-0.2 -0.206 37.1-128.9 -50.0 131.9 -14.7 -35.5 -48.2 35 37 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.381 57.9 139.4 -94.5 67.6 -11.8 -37.3 -46.7 36 38 A L > - 0 0 74 -2,-1.7 3,-2.4 3,-0.1 2,-0.4 -0.585 54.3 -12.1-104.8 160.5 -12.1 -40.5 -48.6 37 39 A G G > S+ 0 0 47 1,-0.3 3,-0.8 -2,-0.2 0, 0.0 -0.331 136.9 11.3 61.6-112.3 -9.8 -42.9 -50.3 38 40 A R G 3 S+ 0 0 168 -2,-0.4 -1,-0.3 1,-0.2 225,-0.0 0.598 128.2 59.6 -78.9 -14.3 -6.3 -41.3 -50.5 39 41 A L G X S+ 0 0 11 -3,-2.4 3,-2.2 -5,-0.1 -1,-0.2 0.484 74.8 121.7 -90.5 -9.9 -7.3 -38.5 -48.1 40 42 A R T < S+ 0 0 12 -3,-0.8 -4,-0.1 1,-0.3 3,-0.1 -0.384 83.5 10.0 -56.1 133.1 -8.2 -40.9 -45.3 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.432 108.0 116.0 71.2 4.1 -6.1 -40.1 -42.1 42 44 A K S < S- 0 0 40 -3,-2.2 -1,-0.3 118,-0.2 3,-0.1 -0.660 78.5 -88.4-100.2 160.5 -4.9 -36.9 -43.7 43 45 A K - 0 0 71 115,-0.3 -1,-0.1 -2,-0.3 121,-0.1 -0.237 61.0 -88.5 -54.3 147.2 -5.5 -33.3 -42.7 44 46 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.391 42.1-136.9 -67.0 143.0 -8.7 -31.9 -44.2 45 47 A Q - 0 0 74 -12,-0.5 -12,-2.7 -3,-0.1 -6,-0.0 -0.818 26.3 -98.7-106.8 144.4 -8.3 -30.3 -47.6 46 48 A S - 0 0 85 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.095 40.7-109.9 -65.0 162.3 -10.0 -27.1 -48.5 47 49 A L - 0 0 33 -16,-0.4 2,-0.3 -15,-0.1 -1,-0.1 -0.704 21.9-141.4-102.9 140.6 -13.2 -27.1 -50.5 48 50 A T - 0 0 109 -2,-0.3 -40,-0.1 1,-0.1 -16,-0.0 -0.746 36.6 -78.4-104.1 150.8 -13.7 -26.0 -54.1 49 51 A K - 0 0 148 -2,-0.3 2,-0.3 -42,-0.1 -40,-0.2 0.023 33.9-168.5 -44.6 134.2 -16.7 -24.1 -55.6 50 52 A W - 0 0 25 -42,-2.1 -40,-0.1 2,-0.1 4,-0.1 -0.741 11.3-158.5-105.7 168.7 -20.0 -25.8 -56.4 51 53 A T + 0 0 106 -2,-0.3 2,-0.2 -42,-0.1 -42,-0.1 0.050 60.7 87.6 178.2 64.1 -22.2 -23.5 -58.5 52 54 A D S S- 0 0 112 -42,-0.1 -42,-1.1 0, 0.0 2,-0.5 -0.003 96.2 -87.7 100.8 121.0 -24.9 -24.7 -58.0 53 55 A I E -b 10 0A 57 -2,-0.2 2,-0.2 -44,-0.1 -42,-0.2 -0.913 42.0-145.6-109.0 101.2 -27.3 -23.9 -55.2 54 56 A W E -b 11 0A 81 -44,-2.4 -42,-3.3 -2,-0.5 2,-0.8 -0.454 10.0-137.9 -66.8 127.9 -26.4 -26.2 -52.3 55 57 A N E -b 12 0A 89 -44,-0.2 2,-1.0 -2,-0.2 3,-0.3 -0.801 19.6-174.9 -92.0 107.1 -29.6 -27.2 -50.4 56 58 A A + 0 0 0 -44,-3.0 -29,-1.8 -2,-0.8 -42,-0.2 -0.600 41.8 123.0-103.6 73.6 -28.8 -27.1 -46.6 57 59 A T B +m 27 0C 59 -2,-1.0 2,-0.3 -31,-0.2 -1,-0.2 0.411 64.7 35.9-123.8 -3.1 -32.1 -28.4 -45.5 58 60 A K S S- 0 0 158 -31,-0.8 -1,-0.2 -3,-0.3 -3,-0.0 -0.998 88.1 -91.0-147.8 157.1 -31.1 -31.5 -43.5 59 61 A Y - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.327 47.3-127.6 -57.9 143.1 -28.3 -32.6 -41.2 60 62 A A - 0 0 19 1,-0.2 2,-0.1 30,-0.1 62,-0.1 -0.126 38.9 -63.7 -82.8-179.5 -25.5 -34.4 -43.0 61 63 A N - 0 0 47 28,-0.3 31,-0.2 23,-0.1 25,-0.2 -0.449 50.2-126.0 -59.0 146.6 -23.9 -37.7 -42.3 62 64 A S B -n 86 0D 0 23,-1.7 25,-2.1 22,-0.2 27,-0.1 -0.539 35.4 -94.3 -84.3 156.6 -22.2 -38.2 -38.9 63 65 A a - 0 0 2 56,-0.3 25,-0.2 81,-0.2 56,-0.2 -0.339 52.0 -84.4 -70.3 154.7 -18.6 -39.5 -39.0 64 66 A C + 0 0 11 23,-0.3 82,-0.5 22,-0.1 2,-0.3 -0.273 67.2 146.2 -57.8 143.6 -17.9 -43.2 -38.6 65 67 A Q - 0 0 5 -3,-0.1 53,-0.1 80,-0.1 2,-0.1 -0.931 50.7 -96.9-174.8 148.5 -17.8 -44.3 -35.0 66 68 A N - 0 0 56 51,-0.4 2,-0.3 -2,-0.3 206,-0.0 -0.408 43.6-134.4 -66.3 156.0 -18.7 -47.2 -32.7 67 69 A I - 0 0 60 -2,-0.1 2,-0.8 14,-0.1 11,-0.1 -0.853 15.3-108.0-119.0 150.3 -22.0 -46.9 -31.0 68 70 A D + 0 0 42 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.687 41.1 164.7 -80.5 105.1 -23.1 -47.5 -27.4 69 71 A Q + 0 0 155 -2,-0.8 -1,-0.1 1,-0.2 9,-0.0 0.052 43.8 106.4-106.3 16.7 -25.2 -50.8 -27.4 70 72 A S S S+ 0 0 63 1,-0.2 -1,-0.2 4,-0.0 -2,-0.0 0.914 90.1 24.8 -64.1 -42.5 -25.1 -51.2 -23.7 71 73 A F S > S- 0 0 38 -3,-0.2 3,-2.6 3,-0.1 7,-0.3 -0.547 79.7-165.6-124.1 66.1 -28.7 -50.3 -23.1 72 74 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.266 80.0 18.7 -53.6 133.1 -30.7 -51.0 -26.3 73 75 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 2,-0.1 -2,-0.0 0.260 95.9 122.2 95.6 -13.2 -34.0 -49.2 -26.1 74 76 A F X> - 0 0 29 -3,-2.6 4,-2.5 1,-0.1 3,-0.6 -0.759 51.9-155.1 -94.7 122.9 -33.0 -46.9 -23.3 75 77 A H H 3> S+ 0 0 122 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.860 88.4 67.5 -61.8 -39.4 -33.2 -43.1 -23.9 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.865 118.2 21.1 -51.5 -40.2 -30.5 -42.2 -21.4 77 79 A S H X4 S+ 0 0 0 -3,-0.6 3,-1.8 -6,-0.2 4,-0.4 0.855 120.8 56.4 -95.1 -43.5 -27.8 -43.8 -23.5 78 80 A E H >< S+ 0 0 86 -4,-2.5 3,-1.2 -7,-0.3 -3,-0.2 0.762 90.9 74.0 -66.8 -25.6 -29.3 -43.9 -26.9 79 81 A M T 3< S+ 0 0 32 -4,-2.4 -1,-0.3 -5,-0.3 46,-0.2 0.709 97.2 50.7 -54.3 -23.4 -29.9 -40.1 -26.9 80 82 A W T < S+ 0 0 64 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.573 89.5 101.3 -88.9 -13.7 -26.0 -39.8 -27.4 81 83 A N S < S- 0 0 31 -3,-1.2 -14,-0.1 -4,-0.4 39,-0.1 -0.369 88.5 -86.1 -74.3 151.6 -25.9 -42.2 -30.4 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.202 32.4-164.0 -56.2 146.8 -25.7 -40.7 -33.9 83 85 A N + 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.082 69.2 58.7-121.6 18.9 -29.0 -39.8 -35.6 84 86 A T S S- 0 0 32 0, 0.0 -22,-0.2 0, 0.0 -23,-0.1 -0.952 101.9 -76.3-130.4 163.2 -27.8 -39.5 -39.2 85 87 A D - 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