==== 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 08-SEP-09 2WSL . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,N.AURBEK,E.GILLON,M.LOIODICE,Y.NICOLET,J.FONTECIL . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.7 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 25.8 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 2 1 1 1 2 1 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 . 1 0 1 2 1 1 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 . 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 0 144 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 124.9 18.7 36.8 49.7 2 4 A I + 0 0 39 11,-0.4 11,-2.3 2,-0.0 2,-0.5 -0.935 360.0 171.7-119.2 111.2 17.9 33.4 48.0 3 5 A I E -A 12 0A 60 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.979 10.0-168.3-123.0 128.2 18.1 30.3 50.2 4 6 A I E -A 11 0A 15 7,-2.5 7,-2.7 -2,-0.5 2,-0.8 -0.956 18.9-134.7-116.8 133.7 16.9 26.9 49.0 5 7 A A E -A 10 0A 67 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.804 29.5-174.1 -88.7 110.9 16.5 23.9 51.3 6 8 A T E > -A 9 0A 15 3,-2.3 3,-1.2 -2,-0.8 173,-0.1 -0.516 42.1 -97.9 -95.5 171.4 18.1 20.8 49.6 7 9 A K T 3 S+ 0 0 150 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.778 125.9 37.2 -55.5 -30.7 18.0 17.2 50.8 8 10 A N T 3 S- 0 0 37 1,-0.4 42,-3.1 41,-0.1 -1,-0.2 0.337 129.6 -55.7-107.3 5.2 21.5 17.6 52.3 9 11 A G E < -A 6 0A 14 -3,-1.2 -3,-2.3 40,-0.2 -1,-0.4 -0.764 67.0 -53.9 141.6 170.2 21.2 21.2 53.6 10 12 A K E -Ab 5 53A 110 42,-0.8 44,-2.8 40,-0.3 2,-0.4 -0.569 44.0-162.2 -80.7 140.9 20.5 24.8 52.8 11 13 A V E -Ab 4 54A 0 -7,-2.7 -7,-2.5 -2,-0.2 2,-0.5 -0.990 7.9-148.6-123.2 137.4 22.3 26.6 50.0 12 14 A R E -Ab 3 55A 69 42,-3.2 44,-2.5 -2,-0.4 -9,-0.2 -0.897 19.5-173.9 -98.4 130.9 22.5 30.4 49.4 13 15 A G - 0 0 5 -11,-2.3 -11,-0.4 -2,-0.5 2,-0.3 -0.294 16.5-119.2-104.0-165.8 22.8 31.6 45.8 14 16 A M E -C 25 0B 52 11,-2.4 11,-2.7 42,-0.2 2,-0.4 -0.965 17.2-115.8-140.6 155.5 23.3 35.0 44.3 15 17 A Q E -C 24 0B 104 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.753 27.0-167.4 -96.0 135.1 21.4 37.3 41.9 16 18 A L E -C 23 0B 35 7,-2.9 7,-2.3 -2,-0.4 2,-0.6 -0.956 19.0-131.7-120.4 140.9 22.8 38.2 38.5 17 19 A T E +C 22 0B 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.828 34.2 169.8 -90.5 124.6 21.6 40.9 36.2 18 20 A V E > -C 21 0B 4 3,-1.5 3,-1.1 -2,-0.6 -2,-0.1 -0.958 63.0 -20.6-140.8 119.4 21.1 39.6 32.7 19 21 A F T 3 S- 0 0 64 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.908 125.6 -50.0 50.9 52.5 19.4 41.4 29.8 20 22 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.718 129.4 81.9 63.1 20.4 17.5 43.9 32.1 21 23 A G E < S-C 18 0B 14 -3,-1.1 -3,-1.5 2,-0.0 2,-0.4 -0.590 78.0-100.0-135.4-164.7 16.3 40.9 34.2 22 24 A T E -C 17 0B 50 77,-0.5 77,-1.3 -5,-0.2 2,-0.4 -0.991 21.6-175.3-133.4 139.6 17.5 38.6 36.9 23 25 A V E -CD 16 98B 0 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.6 -0.986 21.2-137.6-125.6 139.6 18.9 35.1 37.1 24 26 A T E -CD 15 97B 5 73,-2.8 73,-2.6 -2,-0.4 2,-0.4 -0.885 21.9-165.0 -98.7 119.5 19.7 33.2 40.4 25 27 A A E -CD 14 96B 0 -11,-2.7 -11,-2.4 -2,-0.6 2,-0.6 -0.875 15.5-170.9-108.0 132.2 23.0 31.4 40.3 26 28 A F E - D 0 95B 0 69,-3.2 69,-2.5 -2,-0.4 2,-0.4 -0.909 20.8-172.8-118.0 95.9 24.0 28.7 42.8 27 29 A L E +m 57 0C 11 29,-2.2 31,-0.8 -2,-0.6 67,-0.2 -0.784 57.0 10.9 -97.3 134.4 27.6 28.0 41.9 28 30 A G E + 0 0 3 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.887 68.1 171.4 73.4 43.5 29.7 25.2 43.5 29 31 A I E - D 0 93B 0 64,-2.9 64,-2.2 -3,-0.4 -1,-0.2 -0.723 35.3-122.6 -78.0 128.3 27.1 23.1 45.3 30 32 A P E + D 0 92B 9 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.515 32.5 175.6 -71.8 140.6 28.8 19.9 46.5 31 33 A Y + 0 0 8 60,-1.9 16,-0.3 1,-0.3 2,-0.3 0.411 62.1 22.3-123.3 -0.3 27.2 16.7 45.2 32 34 A A S S- 0 0 3 59,-0.8 -1,-0.3 14,-0.2 14,-0.2 -0.986 90.0 -81.0-156.3 161.0 29.5 14.0 46.6 33 35 A Q - 0 0 57 12,-2.5 12,-0.4 -2,-0.3 14,-0.1 -0.428 63.6 -94.9 -57.7 132.5 32.1 13.3 49.3 34 36 A P - 0 0 44 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.346 35.0-128.8 -53.4 128.0 35.5 14.7 48.2 35 37 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.372 59.5 139.1 -82.5 61.9 37.3 11.7 46.5 36 38 A L > - 0 0 72 -2,-2.0 3,-2.6 3,-0.1 4,-0.1 -0.567 54.8 -10.6-104.3 162.3 40.5 12.1 48.6 37 39 A G G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 0, 0.0 -0.284 138.6 7.2 56.3-118.5 42.9 9.7 50.2 38 40 A R G 3 S+ 0 0 158 1,-0.2 -1,-0.3 -2,-0.1 225,-0.0 0.632 128.5 63.3 -71.0 -14.0 41.4 6.2 50.2 39 41 A L G X S+ 0 0 10 -3,-2.6 3,-1.9 -5,-0.1 -1,-0.2 0.538 74.0 116.6 -88.4 -10.9 38.5 7.5 48.0 40 42 A R T < S+ 0 0 12 -3,-1.2 -4,-0.1 1,-0.3 3,-0.1 -0.417 85.1 11.8 -56.5 132.0 40.9 8.3 45.2 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.359 106.9 114.9 75.2 -1.2 40.0 6.1 42.1 42 44 A K S < S- 0 0 35 -3,-1.9 -1,-0.3 118,-0.1 3,-0.1 -0.648 79.1 -90.3 -94.6 156.5 36.8 5.0 43.7 43 45 A K - 0 0 72 115,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.224 62.5 -86.8 -48.5 147.0 33.2 5.6 42.6 44 46 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.427 43.5-138.5 -69.5 140.6 31.9 8.8 44.2 45 47 A Q - 0 0 78 -12,-0.4 -12,-2.5 -2,-0.1 -6,-0.0 -0.729 25.8 -95.8-100.9 148.9 30.3 8.4 47.6 46 48 A S - 0 0 93 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.168 45.0 -95.7 -64.7 156.3 27.1 10.1 48.7 47 49 A L - 0 0 29 -16,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.468 19.8-136.9 -84.0 143.5 27.2 13.3 50.7 48 50 A T - 0 0 101 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.701 43.8-117.2 -72.9 -23.1 27.0 13.3 54.5 49 51 A K - 0 0 156 2,-0.0 2,-0.3 -41,-0.0 -40,-0.2 0.293 27.3-138.3 86.2 143.5 24.5 16.3 54.9 50 52 A W - 0 0 53 -42,-3.1 -40,-0.3 2,-0.1 2,-0.2 -0.971 6.1-140.9-136.6 143.5 25.1 19.7 56.7 51 53 A S S S+ 0 0 102 -2,-0.3 -2,-0.0 -42,-0.1 -43,-0.0 -0.446 72.7 40.5 -87.2 176.6 23.5 22.2 59.0 52 54 A D S S- 0 0 137 -2,-0.2 -42,-0.8 1,-0.1 2,-0.6 -0.097 103.1 -56.7 66.8-175.4 24.0 25.9 58.4 53 55 A I E -b 10 0A 58 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.882 39.0-143.0-109.4 118.7 24.0 27.5 55.0 54 56 A W E -b 11 0A 85 -44,-2.8 -42,-3.2 -2,-0.6 2,-1.0 -0.682 20.3-137.0 -71.8 122.9 26.3 26.5 52.1 55 57 A N E -b 12 0A 87 -2,-0.5 2,-1.3 -44,-0.2 3,-0.3 -0.748 21.5-176.3 -84.5 98.8 27.3 29.7 50.3 56 58 A A + 0 0 0 -44,-2.5 -29,-2.2 -2,-1.0 -42,-0.2 -0.503 42.7 122.6 -91.9 65.5 27.1 28.7 46.6 57 59 A T B +m 27 0C 57 -2,-1.3 2,-0.3 -31,-0.2 -1,-0.2 0.345 63.8 36.4-118.9 3.9 28.4 32.1 45.5 58 60 A K S S- 0 0 160 -31,-0.8 -1,-0.1 -3,-0.3 2,-0.1 -0.992 89.6 -89.3-150.7 158.0 31.4 31.2 43.4 59 61 A Y - 0 0 53 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.406 48.6-126.6 -64.4 140.7 32.6 28.5 41.0 60 62 A A - 0 0 19 1,-0.2 62,-0.1 -2,-0.1 -1,-0.1 -0.190 38.5 -63.4 -80.7 174.5 34.3 25.6 42.8 61 63 A N - 0 0 46 28,-0.3 2,-0.2 -33,-0.1 25,-0.2 -0.252 51.0-125.9 -49.2 142.0 37.7 23.9 42.2 62 64 A S B -n 86 0D 0 23,-2.5 25,-2.2 22,-0.2 58,-0.1 -0.620 35.3 -94.9 -86.0 153.8 38.2 22.3 38.8 63 65 A a - 0 0 2 56,-0.4 25,-0.2 -2,-0.2 56,-0.2 -0.323 51.6 -83.5 -67.2 152.1 39.4 18.6 38.8 64 66 A C + 0 0 17 23,-0.5 82,-0.5 22,-0.1 2,-0.3 -0.320 68.6 145.8 -55.3 135.6 43.1 17.8 38.6 65 67 A Q - 0 0 4 -3,-0.1 53,-0.1 80,-0.1 2,-0.1 -0.961 50.8-100.2-168.6 151.5 44.2 17.9 35.0 66 68 A N - 0 0 56 51,-0.5 2,-0.3 -2,-0.3 206,-0.0 -0.415 43.5-131.1 -69.2 154.8 47.1 18.7 32.7 67 69 A I - 0 0 62 -2,-0.1 2,-0.8 14,-0.1 11,-0.1 -0.859 15.0-109.0-117.6 148.7 46.8 22.0 30.9 68 70 A D + 0 0 42 -2,-0.3 3,-0.2 9,-0.2 13,-0.1 -0.681 42.3 164.9 -75.6 107.6 47.2 23.1 27.2 69 71 A Q + 0 0 155 -2,-0.8 -1,-0.1 1,-0.1 9,-0.0 0.106 41.2 108.7-108.8 14.5 50.5 25.1 27.3 70 72 A S S S+ 0 0 66 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.838 88.5 22.8 -61.7 -38.5 51.0 25.0 23.5 71 73 A F S > S- 0 0 40 -3,-0.2 3,-2.1 3,-0.1 7,-0.3 -0.609 78.6-161.5-134.1 73.7 50.2 28.7 22.9 72 74 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.285 79.9 17.7 -57.5 139.4 50.8 30.8 26.1 73 75 A G T 3 S+ 0 0 69 1,-0.2 2,-0.5 2,-0.1 0, 0.0 0.347 96.3 122.0 84.4 -4.9 49.0 34.1 25.9 74 76 A F X> - 0 0 29 -3,-2.1 4,-2.6 1,-0.1 3,-0.7 -0.827 53.3-153.9-100.9 122.0 46.7 33.0 23.1 75 77 A H H 3> S+ 0 0 122 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.843 88.1 66.8 -62.5 -36.1 43.0 33.2 23.7 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.840 117.0 24.2 -57.5 -37.3 42.1 30.4 21.3 77 79 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.5 -6,-0.2 4,-0.5 0.836 120.8 55.7 -92.1 -43.2 43.8 27.8 23.4 78 80 A E H >< S+ 0 0 85 -4,-2.6 3,-1.0 -7,-0.3 -3,-0.2 0.778 91.1 72.7 -64.8 -25.5 43.7 29.4 26.8 79 81 A M T 3< S+ 0 0 29 -4,-2.4 -1,-0.3 1,-0.2 46,-0.3 0.719 98.5 50.4 -61.7 -18.5 40.0 29.8 26.8 80 82 A W T < S+ 0 0 62 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.631 89.4 99.4 -93.9 -17.8 39.7 26.0 27.3 81 83 A N S < S- 0 0 30 -3,-1.0 -14,-0.1 -4,-0.5 39,-0.1 -0.332 89.8 -84.7 -67.0 150.5 42.1 25.9 30.2 82 84 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.261 32.5-163.3 -59.2 142.7 40.6 25.7 33.8 83 85 A N + 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.091 69.7 57.0-117.1 17.9 39.7 29.1 35.4 84 86 A T S S- 0 0 31 1,-0.0 -22,-0.2 0, 0.0 -24,-0.1 -0.948 102.2 -72.7-134.5 163.4 39.5 27.9 39.0 85 87 A D - 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