==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-12 4B0O . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WANDHAMMER,M.DE KONING,M.VAN GROL,D.NOORT,M.GOELDNER,F.NAC . 528 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.9 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 . 40 7.6 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 . 134 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 1 2 2 0 0 3 1 0 1 1 1 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 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 . 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 3 A D 0 0 150 0, 0.0 2,-0.8 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 112.1 -36.5 -18.9 -50.5 2 4 A I + 0 0 47 11,-0.3 11,-2.1 2,-0.0 2,-0.5 -0.830 360.0 174.0-106.5 102.7 -33.4 -17.9 -48.6 3 5 A I E -A 12 0A 60 -2,-0.8 2,-0.5 9,-0.2 9,-0.2 -0.909 11.4-163.8-112.0 128.7 -30.2 -18.3 -50.6 4 6 A I E -A 11 0A 16 7,-2.3 7,-1.9 -2,-0.5 2,-0.8 -0.949 16.2-135.9-114.6 127.6 -26.7 -17.2 -49.3 5 7 A A E -A 10 0A 70 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.716 29.5-177.9 -81.3 111.9 -23.7 -16.7 -51.6 6 8 A T E > -A 9 0A 16 3,-2.1 3,-0.5 -2,-0.8 173,-0.1 -0.457 44.0 -97.6 -97.7 178.6 -20.6 -18.2 -49.9 7 9 A K T 3 S+ 0 0 149 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.737 125.3 42.9 -69.0 -21.4 -17.0 -18.2 -51.2 8 10 A N T 3 S- 0 0 30 1,-0.4 42,-3.7 41,-0.1 2,-0.2 0.478 127.9 -69.6-104.8 -5.8 -17.5 -21.7 -52.6 9 11 A G E < -A 6 0A 14 -3,-0.5 -3,-2.1 40,-0.2 -1,-0.4 -0.818 67.4 -40.2 142.6-179.7 -21.0 -21.2 -54.1 10 12 A K E -Ab 5 53A 107 42,-0.8 44,-3.4 40,-0.3 2,-0.4 -0.471 45.6-164.1 -78.1 145.1 -24.6 -20.6 -53.3 11 13 A V E -Ab 4 54A 0 -7,-1.9 -7,-2.3 42,-0.2 2,-0.4 -0.994 9.0-145.8-129.9 139.6 -26.4 -22.5 -50.4 12 14 A R E -Ab 3 55A 62 42,-3.2 44,-2.3 -2,-0.4 -9,-0.2 -0.877 19.0-171.9-102.9 132.7 -30.2 -22.8 -49.8 13 15 A G - 0 0 6 -11,-2.1 2,-0.3 -2,-0.4 -11,-0.3 -0.351 15.9-120.7-106.0-168.4 -31.5 -22.9 -46.3 14 16 A M E -C 25 0B 56 11,-2.1 11,-2.7 42,-0.2 2,-0.4 -0.990 18.7-117.4-138.5 147.2 -35.0 -23.7 -44.7 15 17 A Q E -C 24 0B 108 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.669 27.5-168.4 -85.2 133.8 -37.3 -21.7 -42.5 16 18 A L E -C 23 0B 21 7,-3.0 7,-2.6 -2,-0.4 2,-0.6 -0.965 18.3-134.9-119.9 138.7 -38.2 -23.0 -39.0 17 19 A T E +C 22 0B 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.822 31.7 171.2 -89.2 124.0 -40.9 -21.7 -36.7 18 20 A V E > -C 21 0B 5 3,-1.7 3,-0.8 -2,-0.6 -2,-0.1 -0.941 63.6 -20.9-137.5 115.7 -39.5 -21.3 -33.2 19 21 A F T 3 S- 0 0 65 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.918 125.2 -49.2 58.5 51.6 -41.5 -19.6 -30.4 20 22 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.708 129.9 81.8 60.5 20.3 -43.9 -17.6 -32.6 21 23 A G E < S-C 18 0B 17 -3,-0.8 -3,-1.7 2,-0.0 2,-0.4 -0.645 78.2-102.1-135.4-166.0 -40.9 -16.4 -34.6 22 24 A T E -CD 17 99B 51 77,-0.5 77,-1.4 -5,-0.2 2,-0.4 -0.970 20.7-173.3-131.8 141.3 -38.6 -17.7 -37.3 23 25 A V E -CD 16 98B 0 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.5 -0.987 19.6-139.1-126.1 140.6 -35.1 -19.1 -37.6 24 26 A T E -CD 15 97B 6 73,-3.0 73,-2.9 -2,-0.4 2,-0.4 -0.898 22.4-163.6-100.6 125.8 -33.2 -19.9 -40.8 25 27 A A E -CD 14 96B 0 -11,-2.7 -11,-2.1 -2,-0.5 2,-0.6 -0.916 17.9-170.4-115.4 133.3 -31.3 -23.1 -40.8 26 28 A F E - D 0 95B 0 69,-3.0 69,-2.8 -2,-0.4 2,-0.5 -0.933 18.9-174.1-117.4 102.9 -28.5 -24.3 -43.1 27 29 A L E +m 57 0C 4 29,-2.4 31,-1.0 -2,-0.6 67,-0.2 -0.858 59.3 11.3-103.5 127.5 -27.9 -28.0 -42.3 28 30 A G E + 0 0 3 -2,-0.5 -1,-0.2 65,-0.5 66,-0.2 0.953 67.0 169.6 76.0 52.7 -25.1 -29.9 -43.9 29 31 A I E - D 0 93B 0 64,-3.1 64,-2.7 -3,-0.3 -1,-0.2 -0.850 35.4-124.2 -90.1 127.3 -22.9 -27.3 -45.7 30 32 A P E + D 0 92B 10 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.470 31.0 176.3 -71.7 142.3 -19.6 -29.0 -46.8 31 33 A Y + 0 0 6 60,-1.7 2,-0.3 1,-0.2 16,-0.3 0.333 62.3 20.8-127.0 5.2 -16.4 -27.4 -45.5 32 34 A A S S- 0 0 2 59,-0.7 14,-0.2 14,-0.2 -1,-0.2 -0.977 90.4 -78.7-158.8 165.2 -13.7 -29.7 -46.9 33 35 A Q - 0 0 69 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.542 62.6 -96.3 -64.6 136.3 -13.0 -32.4 -49.5 34 36 A P - 0 0 48 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.390 36.3-128.1 -51.9 125.6 -14.5 -35.7 -48.4 35 37 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.348 60.6 135.6 -82.6 60.7 -11.5 -37.5 -46.8 36 38 A L > - 0 0 74 -2,-2.0 3,-2.1 3,-0.1 2,-0.1 -0.587 53.9 -2.2-106.7 165.1 -11.8 -40.7 -48.9 37 39 A G G > S+ 0 0 47 1,-0.3 3,-1.7 -2,-0.2 0, 0.0 -0.347 137.8 2.8 59.6-128.9 -9.4 -42.9 -50.7 38 40 A R G 3 S+ 0 0 197 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.607 128.7 67.4 -64.5 -10.6 -5.8 -41.6 -50.5 39 41 A L G X S+ 0 0 28 -3,-2.1 3,-1.7 -5,-0.1 -1,-0.3 0.576 71.2 113.6 -87.9 -10.9 -7.2 -38.7 -48.3 40 42 A R T < S+ 0 0 12 -3,-1.7 -4,-0.1 1,-0.3 3,-0.1 -0.403 86.3 12.7 -61.2 137.3 -8.0 -41.0 -45.4 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.293 109.0 112.3 74.8 -6.5 -5.8 -40.3 -42.3 42 44 A K S < S- 0 0 48 -3,-1.7 -1,-0.3 118,-0.1 117,-0.1 -0.526 79.6 -88.5 -92.2 161.7 -4.7 -37.1 -44.0 43 45 A K - 0 0 72 115,-0.4 2,-0.1 -2,-0.2 -1,-0.1 -0.289 59.5 -85.9 -60.8 152.2 -5.4 -33.5 -43.0 44 46 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.427 43.9-137.9 -67.5 134.3 -8.6 -32.0 -44.4 45 47 A Q - 0 0 73 -12,-0.4 -12,-2.6 -2,-0.1 -6,-0.0 -0.685 25.2 -97.1 -95.4 148.4 -8.2 -30.5 -47.9 46 48 A S - 0 0 89 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.140 48.3 -93.2 -60.9 155.9 -9.8 -27.2 -49.0 47 49 A L - 0 0 31 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.1 -0.469 21.3-135.5 -82.9 145.5 -13.1 -27.3 -50.9 48 50 A T - 0 0 97 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.818 42.3-120.4 -64.9 -39.5 -13.2 -27.3 -54.7 49 51 A K - 0 0 147 2,-0.0 2,-0.3 -40,-0.0 -40,-0.2 0.204 25.9-140.6 94.5 142.0 -16.0 -24.6 -55.3 50 52 A W - 0 0 40 -42,-3.7 -40,-0.3 2,-0.1 2,-0.1 -0.979 10.2-144.4-137.4 143.4 -19.4 -25.1 -57.0 51 53 A S S S+ 0 0 102 -2,-0.3 -2,-0.0 -42,-0.1 -43,-0.0 -0.329 73.8 44.7 -83.8-176.4 -21.8 -23.4 -59.3 52 54 A D S S- 0 0 121 -2,-0.1 -42,-0.8 1,-0.0 2,-0.5 0.054 102.1 -62.7 56.7-179.2 -25.6 -24.1 -58.7 53 55 A I E -b 10 0A 47 -44,-0.1 2,-0.6 -42,-0.1 -42,-0.2 -0.855 39.3-139.1-105.4 126.0 -27.2 -24.0 -55.3 54 56 A W E -b 11 0A 85 -44,-3.4 -42,-3.2 -2,-0.5 2,-1.0 -0.722 20.1-133.6 -80.6 124.5 -26.2 -26.4 -52.5 55 57 A N E +b 12 0A 86 -2,-0.6 2,-0.9 -44,-0.2 3,-0.2 -0.677 25.2 179.4 -81.6 103.0 -29.3 -27.6 -50.6 56 58 A A + 0 0 0 -44,-2.3 -29,-2.4 -2,-1.0 -42,-0.2 -0.511 42.3 118.9 -97.8 64.0 -28.5 -27.3 -46.9 57 59 A T B +m 27 0C 57 -2,-0.9 2,-0.3 -31,-0.2 -1,-0.2 0.281 66.8 35.4-118.0 6.1 -31.9 -28.5 -45.8 58 60 A K S S- 0 0 158 -31,-1.0 -1,-0.1 -3,-0.2 -44,-0.0 -0.978 91.0 -88.4-154.7 151.8 -31.1 -31.7 -43.8 59 61 A Y - 0 0 42 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.312 47.6-129.8 -57.9 144.0 -28.4 -32.9 -41.5 60 62 A A - 0 0 22 1,-0.2 62,-0.1 24,-0.1 -1,-0.1 -0.317 39.5 -60.3 -88.0 176.4 -25.4 -34.6 -43.3 61 63 A N - 0 0 51 28,-0.3 2,-0.2 -2,-0.1 25,-0.2 -0.209 50.4-127.8 -51.1 141.3 -23.8 -37.9 -42.7 62 64 A S E -n 86 0D 0 23,-2.6 25,-2.5 22,-0.1 58,-0.1 -0.647 35.4 -94.8 -86.3 153.5 -22.1 -38.4 -39.3 63 65 A a E -n 87 0D 3 56,-0.3 25,-0.2 -2,-0.2 56,-0.1 -0.354 50.9 -84.3 -68.7 148.7 -18.5 -39.6 -39.3 64 66 A C + 0 0 12 23,-0.7 82,-0.4 22,-0.1 2,-0.3 -0.230 68.2 143.8 -49.9 138.1 -17.7 -43.3 -39.0 65 67 A Q - 0 0 6 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.952 52.7 -91.8-173.9 152.7 -17.7 -44.5 -35.3 66 68 A N - 0 0 63 51,-0.4 2,-0.4 -2,-0.3 81,-0.0 -0.578 43.9-131.1 -75.0 140.1 -18.6 -47.4 -33.0 67 69 A I - 0 0 59 -2,-0.2 2,-0.7 51,-0.1 14,-0.1 -0.755 16.4-113.4 -97.6 136.2 -22.1 -47.2 -31.6 68 70 A D + 0 0 42 -2,-0.4 3,-0.2 1,-0.2 13,-0.1 -0.556 41.0 167.3 -63.8 109.0 -23.0 -47.6 -27.9 69 71 A Q + 0 0 155 -2,-0.7 -1,-0.2 1,-0.1 9,-0.0 0.113 41.4 109.1-110.0 18.7 -25.0 -50.8 -27.8 70 72 A S S S+ 0 0 68 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.855 90.0 22.9 -65.7 -36.7 -24.9 -51.3 -24.0 71 73 A F S > S- 0 0 37 -3,-0.2 3,-1.7 3,-0.1 7,-0.3 -0.665 77.8-165.3-132.8 79.4 -28.6 -50.5 -23.5 72 74 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.464 79.5 17.6 -64.8 131.1 -30.7 -51.1 -26.7 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 -2,-0.2 3,-0.0 0.276 96.4 119.3 93.7 -9.6 -34.1 -49.4 -26.5 74 76 A F X> - 0 0 30 -3,-1.7 4,-2.5 1,-0.1 3,-0.9 -0.811 54.8-154.0 -96.7 118.8 -33.0 -47.2 -23.6 75 77 A H H 3> S+ 0 0 120 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.747 88.1 70.4 -62.3 -25.5 -33.3 -43.5 -24.3 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.886 115.3 22.4 -61.5 -40.0 -30.6 -42.6 -21.8 77 79 A S H X4 S+ 0 0 0 -3,-0.9 3,-1.9 -6,-0.3 4,-0.4 0.859 120.2 58.6 -90.5 -43.5 -27.8 -44.2 -23.9 78 80 A E H >< S+ 0 0 81 -4,-2.5 3,-1.0 -7,-0.3 -3,-0.2 0.742 89.4 72.1 -65.9 -22.7 -29.4 -44.0 -27.3 79 81 A M T 3< S+ 0 0 30 -4,-1.7 -1,-0.3 1,-0.3 46,-0.3 0.654 99.2 50.1 -64.8 -13.9 -29.9 -40.2 -27.3 80 82 A W T < S+ 0 0 64 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.579 89.5 102.0 -99.2 -14.8 -26.1 -40.0 -27.7 81 83 A N S < S- 0 0 29 -3,-1.0 -14,-0.1 -4,-0.4 39,-0.1 -0.419 89.2 -86.7 -69.3 146.1 -26.0 -42.4 -30.7 82 84 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.232 31.8-162.0 -56.2 137.2 -25.7 -40.9 -34.2 83 85 A N S S+ 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.163 70.1 58.0-110.5 15.4 -29.0 -39.9 -35.8 84 86 A T S S- 0 0 30 1,-0.0 -22,-0.1 0, 0.0 -24,-0.1 -0.952 101.4 -73.1-133.7 159.8 -27.7 -39.8 -39.4 85 87 A D - 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