==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-10 2XQK . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WANDHAMMER,E.CARLETTI,E.GILLON,P.MASSON,M.GOELDNER,D.NOORT . 528 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.3 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 . 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 1 2 0 2 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 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 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 0 1 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 0 147 0, 0.0 2,-0.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 103.7 -36.5 -18.7 -50.1 2 4 A I + 0 0 52 11,-0.3 11,-2.1 2,-0.0 2,-0.4 -0.872 360.0 176.2-113.0 108.8 -33.3 -17.7 -48.3 3 5 A I E -A 12 0A 59 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.932 9.7-164.7-116.9 128.6 -30.1 -18.0 -50.3 4 6 A I E -A 11 0A 19 7,-2.4 7,-2.0 -2,-0.4 2,-0.7 -0.934 17.4-135.0-114.4 131.5 -26.7 -16.9 -49.1 5 7 A A E -A 10 0A 68 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.774 30.3-176.2 -82.4 115.3 -23.6 -16.4 -51.4 6 8 A T - 0 0 13 3,-1.8 3,-0.3 -2,-0.7 173,-0.1 -0.421 43.4 -95.9-100.0-177.4 -20.6 -18.0 -49.7 7 9 A K S S+ 0 0 146 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.842 127.5 38.8 -64.2 -32.8 -16.9 -18.0 -50.9 8 10 A N S S- 0 0 30 1,-0.3 42,-2.7 41,-0.1 2,-0.2 0.383 128.0 -74.3-100.8 -1.7 -17.5 -21.5 -52.4 9 11 A G - 0 0 17 -3,-0.3 -3,-1.8 40,-0.2 -1,-0.3 -0.727 65.6 -31.0 138.2 179.1 -21.0 -20.8 -53.8 10 12 A K E -A 5 0A 109 42,-0.5 44,-3.0 -2,-0.2 2,-0.4 -0.390 45.0-170.6 -71.9 140.0 -24.7 -20.5 -53.1 11 13 A V E -Ab 4 54A 0 -7,-2.0 -7,-2.4 42,-0.2 2,-0.4 -0.995 10.8-147.5-129.3 143.4 -26.5 -22.3 -50.2 12 14 A R E -Ab 3 55A 67 42,-2.6 44,-2.5 -2,-0.4 -9,-0.2 -0.906 16.4-169.1-109.2 131.8 -30.2 -22.5 -49.5 13 15 A G - 0 0 5 -11,-2.1 2,-0.3 -2,-0.4 -11,-0.3 -0.261 16.1-120.8-102.6-169.9 -31.5 -22.7 -45.9 14 16 A M E -C 25 0B 46 11,-2.5 11,-3.0 42,-0.2 2,-0.4 -0.977 19.7-121.4-135.1 154.5 -34.9 -23.5 -44.4 15 17 A Q E -C 24 0B 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.772 25.5-166.3 -99.9 136.3 -37.2 -21.4 -42.2 16 18 A L E -C 23 0B 27 7,-3.2 7,-2.2 -2,-0.4 2,-0.5 -0.943 18.4-131.8-120.3 145.4 -38.2 -22.7 -38.8 17 19 A T E +C 22 0B 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.807 32.2 171.1 -89.9 127.5 -40.9 -21.5 -36.5 18 20 A V E > -C 21 0B 5 3,-2.3 3,-1.0 -2,-0.5 -2,-0.1 -0.918 65.1 -24.1-145.8 115.5 -39.6 -21.1 -32.9 19 21 A F T 3 S- 0 0 66 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.859 125.3 -47.5 47.4 52.2 -41.6 -19.5 -30.1 20 22 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.659 128.5 79.6 73.0 15.0 -43.8 -17.3 -32.4 21 23 A G E < S-C 18 0B 18 -3,-1.0 -3,-2.3 2,-0.0 2,-0.3 -0.705 77.3-105.8-137.4-170.9 -40.7 -16.2 -34.4 22 24 A T E -C 17 0B 52 77,-0.5 77,-1.1 -5,-0.2 2,-0.3 -0.945 19.9-171.7-129.0 144.8 -38.5 -17.5 -37.2 23 25 A V E -CD 16 98B 0 -7,-2.2 -7,-3.2 -2,-0.3 2,-0.5 -0.982 20.4-136.7-124.3 142.4 -35.0 -18.9 -37.4 24 26 A T E -CD 15 97B 5 73,-2.7 73,-2.7 -2,-0.3 2,-0.5 -0.900 21.5-162.6-100.8 128.7 -33.2 -19.8 -40.7 25 27 A A E -CD 14 96B 0 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.5 -0.929 14.5-171.1-115.4 127.9 -31.3 -23.1 -40.5 26 28 A F E - D 0 95B 0 69,-3.2 69,-3.3 -2,-0.5 2,-0.5 -0.957 20.4-175.8-115.2 103.1 -28.6 -24.0 -42.9 27 29 A L E +eD 57 94B 3 29,-2.7 31,-1.1 -2,-0.5 67,-0.2 -0.880 56.5 14.4-108.5 132.4 -27.9 -27.7 -42.1 28 30 A G E + 0 0 4 65,-0.5 -1,-0.2 -2,-0.5 66,-0.2 0.875 68.4 168.2 77.2 41.5 -25.2 -29.8 -43.8 29 31 A I E - D 0 93B 0 64,-3.0 64,-2.4 -3,-0.3 -1,-0.2 -0.731 34.7-126.5 -79.9 131.6 -22.9 -27.1 -45.4 30 32 A P E + D 0 92B 10 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.525 30.2 176.7 -78.5 150.5 -19.7 -28.8 -46.6 31 33 A Y + 0 0 7 60,-1.5 16,-0.4 1,-0.2 2,-0.3 0.367 61.6 26.2-131.6 1.0 -16.4 -27.2 -45.4 32 34 A A S S- 0 0 3 59,-0.7 14,-0.2 14,-0.2 -1,-0.2 -0.987 90.6 -82.3-152.6 161.1 -13.7 -29.6 -46.7 33 35 A Q - 0 0 72 12,-2.4 12,-0.4 -2,-0.3 14,-0.1 -0.511 64.8 -96.0 -58.7 134.3 -13.0 -32.2 -49.5 34 36 A P - 0 0 48 0, 0.0 2,-1.7 0, 0.0 55,-0.2 -0.278 38.4-123.5 -51.7 134.7 -14.6 -35.4 -48.3 35 37 A P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.400 61.9 132.3 -91.5 70.5 -11.6 -37.3 -46.7 36 38 A L > - 0 0 76 -2,-1.7 3,-1.9 3,-0.1 2,-0.3 -0.732 54.2 -3.0-120.1 156.2 -11.8 -40.6 -48.8 37 39 A G G > S+ 0 0 48 1,-0.3 3,-1.4 -2,-0.2 0, 0.0 -0.459 137.9 6.4 69.2-124.8 -9.4 -42.8 -50.7 38 40 A R G 3 S+ 0 0 205 -2,-0.3 -1,-0.3 1,-0.2 225,-0.0 0.603 130.2 63.7 -66.8 -8.1 -5.9 -41.3 -50.6 39 41 A L G X S+ 0 0 28 -3,-1.9 3,-2.1 -5,-0.1 -1,-0.2 0.588 70.4 116.6 -94.1 -9.8 -7.3 -38.6 -48.2 40 42 A R T < S+ 0 0 13 -3,-1.4 -4,-0.1 1,-0.3 3,-0.1 -0.401 86.5 11.8 -59.7 131.8 -8.1 -41.0 -45.3 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.335 107.6 111.7 80.5 -2.9 -5.9 -40.2 -42.3 42 44 A K S < S- 0 0 57 -3,-2.1 -1,-0.3 118,-0.2 117,-0.1 -0.561 79.9 -84.9 -98.3 164.7 -4.7 -36.8 -43.8 43 45 A K - 0 0 73 115,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.290 60.8 -89.9 -58.0 149.2 -5.4 -33.3 -42.8 44 46 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.422 43.6-138.7 -65.4 142.6 -8.7 -31.9 -44.3 45 47 A Q - 0 0 67 -12,-0.4 -12,-2.4 1,-0.1 3,-0.1 -0.772 26.7 -93.4-107.0 151.4 -8.1 -30.3 -47.7 46 48 A S - 0 0 86 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.220 46.1 -93.4 -75.4 153.9 -9.8 -27.1 -48.7 47 49 A L - 0 0 32 -16,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.420 22.7-144.9 -75.3 137.5 -13.1 -27.1 -50.6 48 50 A T - 0 0 101 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 0.954 41.9-114.5 -63.0 -59.6 -13.1 -26.9 -54.4 49 51 A K - 0 0 153 2,-0.1 2,-0.3 -40,-0.0 -40,-0.2 -0.234 24.8-136.5 121.5 140.9 -16.1 -24.8 -55.0 50 52 A W - 0 0 45 -42,-2.7 2,-0.2 -2,-0.1 -40,-0.2 -0.873 1.3-143.0-125.9 157.4 -19.5 -25.4 -56.6 51 53 A S + 0 0 94 -2,-0.3 -2,-0.1 -42,-0.1 -43,-0.0 -0.642 69.8 39.9-105.8 179.0 -21.9 -23.8 -59.0 52 54 A D S S- 0 0 136 -2,-0.2 2,-0.6 2,-0.0 -42,-0.5 0.025 105.5 -54.0 56.0 179.7 -25.6 -24.1 -58.6 53 55 A I - 0 0 55 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.792 45.0-144.1 -96.9 121.7 -27.3 -23.9 -55.2 54 56 A W E -b 11 0A 83 -44,-3.0 -42,-2.6 -2,-0.6 2,-0.8 -0.678 20.1-133.9 -77.6 129.5 -26.2 -26.3 -52.4 55 57 A N E -b 12 0A 88 -2,-0.4 2,-0.8 -44,-0.2 3,-0.2 -0.760 23.8-178.9 -93.2 109.0 -29.2 -27.3 -50.3 56 58 A A + 0 0 0 -44,-2.5 -29,-2.7 -2,-0.8 -42,-0.2 -0.490 44.3 118.2-102.4 63.0 -28.5 -27.1 -46.7 57 59 A T B +e 27 0B 58 -2,-0.8 2,-0.3 -31,-0.2 -1,-0.2 0.241 67.0 41.6-117.1 11.3 -31.9 -28.3 -45.6 58 60 A K S S- 0 0 167 -31,-1.1 -1,-0.1 -3,-0.2 2,-0.1 -0.992 87.9 -93.4-154.1 151.8 -31.0 -31.5 -43.7 59 61 A Y - 0 0 41 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.385 47.3-129.9 -58.4 140.2 -28.4 -32.8 -41.3 60 62 A A - 0 0 19 1,-0.2 62,-0.1 24,-0.1 -1,-0.1 -0.275 37.4 -62.0 -79.3 172.9 -25.5 -34.4 -43.0 61 63 A N - 0 0 48 28,-0.3 2,-0.2 -33,-0.1 25,-0.2 -0.295 50.2-130.2 -45.6 133.3 -23.7 -37.8 -42.5 62 64 A S B -n 86 0C 0 23,-2.0 25,-2.0 22,-0.2 58,-0.1 -0.610 36.3 -93.2 -80.0 152.3 -22.1 -38.2 -39.0 63 65 A a - 0 0 2 56,-0.3 25,-0.2 -2,-0.2 56,-0.2 -0.313 52.1 -82.9 -66.4 152.7 -18.5 -39.5 -39.1 64 66 A C + 0 0 12 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.240 68.7 146.7 -55.8 139.6 -17.7 -43.2 -38.8 65 67 A Q - 0 0 6 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.969 50.2 -97.2-169.6 155.0 -17.8 -44.4 -35.3 66 68 A N - 0 0 61 51,-0.4 2,-0.4 -2,-0.3 51,-0.0 -0.509 43.2-133.0 -74.4 150.9 -18.6 -47.2 -32.9 67 69 A I - 0 0 61 -2,-0.2 2,-0.6 51,-0.1 14,-0.1 -0.846 15.1-109.2-110.2 145.8 -21.9 -47.0 -31.2 68 70 A D + 0 0 45 -2,-0.4 3,-0.1 1,-0.1 13,-0.1 -0.604 41.4 164.7 -69.8 111.9 -23.0 -47.4 -27.6 69 71 A Q + 0 0 152 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 0.128 43.1 105.3-116.4 15.3 -24.9 -50.8 -27.4 70 72 A S S S+ 0 0 67 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.862 91.4 26.5 -66.5 -36.8 -24.9 -51.3 -23.7 71 73 A F S > S- 0 0 35 -3,-0.1 3,-2.2 3,-0.1 7,-0.3 -0.560 78.5-165.6-128.2 69.2 -28.5 -50.3 -23.2 72 74 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.311 78.6 15.1 -59.9 137.4 -30.5 -51.0 -26.4 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.386 95.9 122.6 85.1 -6.1 -33.9 -49.3 -26.3 74 76 A F X> - 0 0 30 -3,-2.2 4,-2.8 1,-0.1 3,-1.0 -0.834 53.7-153.6 -97.1 123.3 -33.0 -47.0 -23.4 75 77 A H H 3> S+ 0 0 119 -2,-0.6 4,-2.2 1,-0.3 -1,-0.1 0.774 88.7 68.3 -65.9 -26.5 -33.3 -43.3 -24.1 76 78 A G H 34 S+ 0 0 0 2,-0.2 -1,-0.3 1,-0.2 352,-0.1 0.823 116.9 22.6 -67.5 -30.0 -30.6 -42.4 -21.6 77 79 A S H X4 S+ 0 0 2 -3,-1.0 3,-1.8 -6,-0.3 4,-0.4 0.822 120.9 57.7-100.8 -40.8 -27.8 -44.0 -23.6 78 80 A E H >< S+ 0 0 82 -4,-2.8 3,-1.4 -7,-0.3 -3,-0.2 0.788 89.7 70.9 -66.1 -25.8 -29.4 -43.9 -27.0 79 81 A M T 3< S+ 0 0 29 -4,-2.2 -1,-0.3 1,-0.3 46,-0.3 0.688 98.8 53.5 -60.4 -18.2 -29.9 -40.1 -27.1 80 82 A W T < S+ 0 0 60 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.579 88.2 97.8 -92.3 -13.8 -26.1 -39.9 -27.5 81 83 A N S < S- 0 0 30 -3,-1.4 -14,-0.1 -4,-0.4 39,-0.1 -0.392 90.3 -87.5 -70.4 150.9 -25.9 -42.2 -30.5 82 84 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.293 30.3-162.1 -61.8 145.9 -25.7 -40.7 -34.0 83 85 A N + 0 0 84 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 -0.008 69.9 62.5-124.0 19.4 -29.0 -39.9 -35.6 84 86 A T S S- 0 0 33 39,-0.0 -22,-0.2 0, 0.0 -23,-0.1 -0.967 100.2 -76.6-130.8 158.8 -27.7 -39.6 -39.2 85 87 A D - 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