==== 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 30-SEP-12 4BBZ . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.CARLETTI,J.-P.COLLETIER,L.M.SCHOPFER,G.SANTONI,P.MASSON, . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21269.0 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 . 46 8.7 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 25.6 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 4 0 1 2 0 2 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 . 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 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 . 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 0 151 0, 0.0 2,-0.5 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 145.2 -36.8 -18.4 -50.5 2 4 A I + 0 0 46 11,-0.2 11,-1.6 2,-0.0 2,-0.4 -0.811 360.0 168.7-128.2 91.9 -33.6 -17.8 -48.4 3 5 A I E -A 12 0A 65 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.879 13.8-165.2-111.5 131.4 -30.3 -18.0 -50.3 4 6 A I E -A 11 0A 21 7,-2.5 7,-2.3 -2,-0.4 2,-0.6 -0.939 15.7-137.5-114.1 134.0 -26.9 -17.0 -49.0 5 7 A A E -A 10 0A 63 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.811 26.2-177.5 -90.3 118.8 -23.8 -16.6 -51.1 6 8 A T E > -A 9 0A 12 3,-2.0 3,-1.2 -2,-0.6 173,-0.1 -0.697 43.9 -97.5-108.3 167.6 -20.6 -18.0 -49.6 7 9 A K T 3 S+ 0 0 138 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.821 126.1 40.7 -51.6 -36.9 -17.1 -17.9 -50.9 8 10 A N T 3 S- 0 0 41 1,-0.3 42,-2.5 41,-0.1 -1,-0.3 0.537 127.9 -68.1 -93.3 -9.0 -17.5 -21.5 -52.3 9 11 A G E < -A 6 0A 14 -3,-1.2 -3,-2.0 40,-0.2 -1,-0.3 -0.825 64.0 -39.9 148.1 176.2 -21.0 -21.0 -53.6 10 12 A K E -Ab 5 53A 109 42,-0.7 44,-2.3 40,-0.3 2,-0.4 -0.424 46.1-170.6 -69.9 141.2 -24.7 -20.5 -53.0 11 13 A V E -Ab 4 54A 0 -7,-2.3 -7,-2.5 42,-0.2 2,-0.4 -0.999 8.9-151.5-135.3 136.6 -26.5 -22.3 -50.2 12 14 A R E -Ab 3 55A 65 42,-2.5 44,-2.5 -2,-0.4 -9,-0.2 -0.862 15.9-179.0-106.0 139.6 -30.3 -22.5 -49.4 13 15 A G - 0 0 4 -11,-1.6 2,-0.3 -2,-0.4 -11,-0.2 -0.129 20.0-113.4-110.9-150.0 -31.7 -23.0 -45.9 14 16 A M E -C 25 0B 55 11,-1.4 11,-2.5 42,-0.2 2,-0.4 -0.992 20.6-112.4-153.1 151.4 -35.2 -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 -0.724 27.9-168.9 -92.4 135.6 -37.4 -21.4 -42.1 16 18 A L E -C 23 0B 35 7,-2.5 7,-2.7 -2,-0.4 2,-0.7 -0.967 17.2-137.4-121.3 135.5 -38.2 -22.7 -38.6 17 19 A T E +C 22 0B 125 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.863 29.7 172.3 -95.7 118.9 -40.9 -21.3 -36.4 18 20 A V E > -C 21 0B 4 -2,-0.7 3,-1.9 3,-0.5 -2,-0.0 -0.997 63.7 -17.8-125.2 127.5 -39.6 -21.1 -32.8 19 21 A F T 3 S- 0 0 67 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.893 127.2 -48.7 48.1 57.0 -41.5 -19.4 -29.9 20 22 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.678 129.0 82.2 57.8 19.9 -43.9 -17.4 -32.2 21 23 A G E < S-C 18 0B 16 -3,-1.9 -3,-0.5 2,-0.0 2,-0.4 -0.505 77.2-102.7-131.5-159.3 -40.9 -16.3 -34.2 22 24 A T E -C 17 0B 51 77,-0.5 77,-1.6 -5,-0.2 2,-0.4 -0.999 21.5-174.8-140.0 137.5 -38.6 -17.5 -37.0 23 25 A V E -CD 16 98B 0 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.6 -0.995 21.3-135.9-127.0 138.2 -35.1 -18.9 -37.2 24 26 A T E -CD 15 97B 6 73,-2.7 73,-2.4 -2,-0.4 2,-0.5 -0.838 20.9-161.9 -94.7 120.9 -33.2 -19.7 -40.4 25 27 A A E -CD 14 96B 0 -11,-2.5 -11,-1.4 -2,-0.6 2,-0.6 -0.876 15.5-172.1-107.2 128.0 -31.4 -23.1 -40.4 26 28 A F E - D 0 95B 0 69,-3.2 69,-2.2 -2,-0.5 2,-0.5 -0.873 21.1-172.5-111.6 92.9 -28.6 -24.0 -42.8 27 29 A L E +m 57 0C 11 29,-2.1 31,-0.7 -2,-0.6 67,-0.2 -0.759 56.8 8.3 -94.0 128.2 -28.1 -27.7 -41.9 28 30 A G E + 0 0 3 -2,-0.5 -1,-0.2 65,-0.3 66,-0.2 0.973 66.9 172.8 74.8 58.1 -25.2 -29.6 -43.5 29 31 A I E - D 0 93B 0 64,-3.6 64,-2.4 -3,-0.3 -1,-0.2 -0.858 32.8-123.6 -92.5 130.0 -23.0 -27.2 -45.2 30 32 A P E + D 0 92B 9 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.433 29.8 177.0 -71.3 145.9 -19.7 -28.8 -46.5 31 33 A Y + 0 0 8 60,-1.7 16,-0.3 1,-0.3 2,-0.3 0.358 62.6 20.3-131.1 4.8 -16.5 -27.3 -45.3 32 34 A A S S- 0 0 3 59,-0.7 -1,-0.3 14,-0.2 14,-0.2 -0.980 89.5 -82.3-160.4 158.9 -13.8 -29.6 -46.8 33 35 A Q - 0 0 66 12,-2.2 12,-0.4 -2,-0.3 14,-0.1 -0.512 65.7 -95.5 -59.3 133.4 -13.3 -32.2 -49.5 34 36 A P - 0 0 44 0, 0.0 2,-2.5 0, 0.0 55,-0.2 -0.323 34.3-123.8 -54.6 129.7 -14.6 -35.4 -48.1 35 37 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.335 63.1 136.8 -80.5 62.6 -11.6 -37.3 -46.6 36 38 A L > - 0 0 79 -2,-2.5 3,-2.0 3,-0.1 2,-0.2 -0.620 53.9 -4.2-105.8 163.4 -12.1 -40.4 -48.7 37 39 A G G > S+ 0 0 42 1,-0.3 3,-1.3 -2,-0.2 0, 0.0 -0.373 138.2 5.4 63.4-125.0 -9.7 -42.7 -50.6 38 40 A R G 3 S+ 0 0 203 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.0 0.488 127.7 68.4 -68.1 -2.2 -6.2 -41.4 -50.5 39 41 A L G X + 0 0 29 -3,-2.0 3,-1.8 -5,-0.1 -1,-0.2 0.599 68.0 117.3 -95.4 -11.7 -7.4 -38.7 -48.1 40 42 A R T < S+ 0 0 11 -3,-1.3 -4,-0.1 1,-0.3 3,-0.1 -0.321 85.5 10.3 -57.6 137.2 -8.2 -40.9 -45.1 41 43 A F T 3 S+ 0 0 0 108,-0.6 121,-0.4 1,-0.3 -1,-0.3 0.282 106.5 114.3 70.7 -8.0 -6.0 -40.1 -42.1 42 44 A K S < S- 0 0 39 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.553 78.7 -91.0 -85.4 158.7 -4.8 -36.9 -43.8 43 45 A K - 0 0 70 115,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.149 60.6 -83.3 -48.0 157.5 -5.5 -33.3 -42.7 44 46 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.566 41.1-138.4 -78.1 134.0 -8.6 -31.8 -44.3 45 47 A Q - 0 0 76 -12,-0.4 -12,-2.2 -2,-0.3 -6,-0.0 -0.698 28.4-100.5 -90.8 143.2 -8.2 -30.3 -47.8 46 48 A S - 0 0 89 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.113 48.8 -89.8 -61.8 159.5 -10.0 -27.1 -48.7 47 49 A L - 0 0 30 -16,-0.3 2,-0.4 -15,-0.1 -1,-0.1 -0.518 29.0-121.5 -89.2 136.9 -13.2 -27.2 -50.6 48 50 A T - 0 0 95 -2,-0.3 -1,-0.1 1,-0.1 -16,-0.0 -0.552 37.8-108.2 -68.4 123.3 -13.7 -27.1 -54.4 49 51 A K - 0 0 188 -2,-0.4 2,-0.4 1,-0.1 -40,-0.2 -0.074 37.6-153.8 -44.8 146.9 -15.9 -24.2 -55.6 50 52 A W - 0 0 52 -42,-2.5 -40,-0.3 2,-0.1 2,-0.1 -0.996 11.8-148.7-135.8 139.5 -19.4 -25.1 -56.9 51 53 A S S S+ 0 0 108 -2,-0.4 -43,-0.0 -42,-0.1 0, 0.0 -0.354 70.6 36.2 -84.7 178.4 -21.9 -23.7 -59.3 52 54 A D S S- 0 0 136 -2,-0.1 -42,-0.7 2,-0.0 2,-0.3 -0.093 102.1 -62.6 60.2-170.7 -25.6 -24.1 -58.7 53 55 A I E -b 10 0A 53 -44,-0.1 2,-0.6 -42,-0.0 -42,-0.2 -0.834 35.8-133.4-114.2 147.4 -27.0 -24.1 -55.2 54 56 A W E -b 11 0A 87 -44,-2.3 -42,-2.5 -2,-0.3 2,-1.0 -0.880 19.1-137.6 -98.5 119.3 -26.4 -26.3 -52.2 55 57 A N E -b 12 0A 93 -2,-0.6 2,-0.9 -44,-0.2 3,-0.3 -0.636 21.3-178.0 -76.4 102.8 -29.5 -27.4 -50.3 56 58 A A + 0 0 0 -44,-2.5 -29,-2.1 -2,-1.0 -42,-0.2 -0.525 43.1 117.0 -97.9 65.8 -28.6 -27.1 -46.7 57 59 A T B +m 27 0C 57 -2,-0.9 2,-0.3 -31,-0.2 -1,-0.2 0.427 65.2 40.8-121.0 -1.6 -32.0 -28.4 -45.4 58 60 A K S S- 0 0 154 -31,-0.7 -1,-0.1 -3,-0.3 2,-0.0 -0.984 91.4 -91.6-139.8 153.2 -31.2 -31.7 -43.5 59 61 A Y - 0 0 54 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.365 48.4-124.3 -59.7 140.4 -28.4 -32.7 -41.1 60 62 A A - 0 0 14 1,-0.2 62,-0.1 24,-0.1 -1,-0.1 -0.146 40.3 -61.3 -79.4 176.1 -25.5 -34.3 -42.9 61 63 A N - 0 0 45 28,-0.3 2,-0.2 23,-0.1 25,-0.2 -0.307 51.1-127.8 -50.4 134.4 -23.8 -37.7 -42.4 62 64 A S E -n 86 0D 0 23,-2.4 25,-1.8 22,-0.1 58,-0.1 -0.595 35.2 -94.2 -80.0 152.6 -22.3 -38.3 -39.0 63 65 A a E -n 87 0D 3 56,-0.3 25,-0.2 23,-0.2 56,-0.1 -0.374 50.3 -84.8 -69.8 144.3 -18.6 -39.5 -38.9 64 66 A C + 0 0 14 23,-0.7 82,-0.4 22,-0.1 2,-0.3 -0.171 68.8 144.9 -46.5 132.5 -17.8 -43.2 -38.7 65 67 A Q - 0 0 6 -3,-0.1 2,-0.3 80,-0.1 53,-0.1 -0.976 51.2 -97.6-169.9 154.6 -17.9 -44.4 -35.1 66 68 A N - 0 0 56 51,-0.4 2,-0.4 -2,-0.3 81,-0.0 -0.599 42.0-132.9 -79.5 142.8 -18.7 -47.2 -32.8 67 69 A I - 0 0 58 -2,-0.3 2,-0.5 51,-0.1 11,-0.1 -0.808 17.8-108.7-103.6 138.0 -22.1 -47.0 -31.1 68 70 A D + 0 0 45 -2,-0.4 3,-0.1 9,-0.2 13,-0.1 -0.504 40.4 170.6 -56.0 110.4 -23.0 -47.5 -27.4 69 71 A Q + 0 0 153 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 0.037 47.4 100.2-112.2 24.3 -24.8 -50.9 -27.3 70 72 A S S S+ 0 0 67 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.858 92.6 27.4 -78.7 -34.6 -25.0 -51.3 -23.6 71 73 A F S > S- 0 0 35 -3,-0.1 3,-1.9 3,-0.1 6,-0.3 -0.549 78.0-168.1-128.5 70.9 -28.6 -50.2 -23.1 72 74 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.373 77.7 13.1 -61.0 125.3 -30.5 -50.8 -26.4 73 75 A G T 3 S+ 0 0 67 1,-0.3 2,-0.5 -2,-0.1 3,-0.0 0.324 95.6 121.6 94.3 -7.4 -33.9 -49.0 -26.3 74 76 A F X> - 0 0 35 -3,-1.9 4,-2.5 1,-0.1 3,-1.1 -0.810 54.8-151.0 -96.0 122.4 -33.0 -46.8 -23.3 75 77 A H H 3> S+ 0 0 120 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.818 90.0 70.3 -63.4 -32.2 -33.2 -43.1 -24.0 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.821 116.1 21.7 -55.6 -35.9 -30.6 -42.3 -21.4 77 79 A S H X4 S+ 0 0 1 -3,-1.1 3,-1.2 -6,-0.3 4,-0.4 0.765 120.3 57.3-101.8 -34.0 -27.9 -43.8 -23.6 78 80 A E H >< S+ 0 0 83 -4,-2.5 3,-1.0 1,-0.3 -3,-0.2 0.767 89.7 73.5 -77.1 -22.3 -29.4 -43.7 -27.1 79 81 A M T 3< S+ 0 0 30 -4,-2.2 46,-0.3 1,-0.2 -1,-0.3 0.668 99.2 49.5 -59.1 -18.0 -29.9 -40.0 -27.0 80 82 A W T < S+ 0 0 63 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.624 90.3 101.8 -96.3 -14.8 -26.1 -39.7 -27.4 81 83 A N S < S- 0 0 26 -3,-1.0 -14,-0.1 -4,-0.4 39,-0.1 -0.384 89.5 -85.6 -67.5 145.7 -26.0 -42.2 -30.4 82 84 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.213 33.0-163.0 -51.1 136.0 -25.7 -40.7 -33.9 83 85 A N + 0 0 85 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.110 68.7 58.4-113.5 15.8 -29.0 -39.7 -35.5 84 86 A T S S- 0 0 30 1,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.970 101.3 -73.3-134.4 156.9 -27.8 -39.5 -39.1 85 87 A D - 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