==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-10 2XQJ . 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) . 21472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 64.0 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 . 36 6.8 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 . 137 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 2 1 1 1 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 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 0 147 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 116.5 -37.0 -18.9 -50.0 2 4 A I + 0 0 37 11,-0.4 11,-2.2 2,-0.0 2,-0.5 -0.889 360.0 174.3-120.6 111.0 -33.5 -18.0 -48.5 3 5 A I E -A 12 0A 65 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.947 7.1-170.8-122.8 124.5 -30.3 -18.0 -50.6 4 6 A I E -A 11 0A 17 7,-2.2 7,-2.3 -2,-0.5 2,-0.7 -0.929 19.8-134.5-115.3 133.9 -26.9 -16.9 -49.4 5 7 A A E -A 10 0A 68 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.779 28.5-175.3 -85.4 111.4 -23.8 -16.5 -51.6 6 8 A T E > -A 9 0A 15 3,-1.9 3,-0.9 -2,-0.7 173,-0.1 -0.475 43.3 -99.3 -94.4 175.4 -20.7 -18.1 -50.0 7 9 A K T 3 S+ 0 0 135 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.771 127.0 42.2 -60.0 -27.4 -17.1 -18.0 -51.3 8 10 A N T 3 S- 0 0 35 1,-0.4 42,-2.7 41,-0.1 -1,-0.2 0.342 128.3 -75.3-103.6 3.4 -17.7 -21.5 -52.7 9 11 A G E < -A 6 0A 17 -3,-0.9 -3,-1.9 40,-0.2 -1,-0.4 -0.695 65.8 -36.1 130.0 179.4 -21.1 -20.9 -54.1 10 12 A K E -Ab 5 53A 106 42,-0.6 44,-3.4 40,-0.2 2,-0.4 -0.490 43.4-167.7 -82.2 140.4 -24.8 -20.5 -53.2 11 13 A V E -Ab 4 54A 0 -7,-2.3 -7,-2.2 42,-0.2 2,-0.4 -0.970 9.6-147.7-123.2 146.0 -26.6 -22.4 -50.5 12 14 A R E -Ab 3 55A 65 42,-2.7 44,-2.3 -2,-0.4 -9,-0.2 -0.912 18.0-171.5-108.5 136.6 -30.4 -22.6 -49.8 13 15 A G - 0 0 5 -11,-2.2 -11,-0.4 -2,-0.4 2,-0.3 -0.315 15.5-121.6-110.2-166.4 -31.8 -22.9 -46.3 14 16 A M E -C 25 0B 49 11,-2.3 11,-2.8 42,-0.2 2,-0.4 -0.985 19.3-119.9-138.8 157.0 -35.2 -23.5 -44.7 15 17 A Q E -C 24 0B 102 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.773 23.2-165.6-102.8 142.4 -37.4 -21.6 -42.3 16 18 A L E -C 23 0B 28 7,-3.2 7,-2.6 -2,-0.4 2,-0.4 -0.963 18.6-132.3-125.8 140.9 -38.5 -22.8 -38.9 17 19 A T E +C 22 0B 116 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.745 32.5 169.9 -83.9 131.4 -41.2 -21.5 -36.5 18 20 A V E > -C 21 0B 6 3,-1.7 3,-1.2 -2,-0.4 -2,-0.0 -0.913 66.6 -20.0-151.0 111.6 -39.9 -21.2 -33.0 19 21 A F T 3 S- 0 0 67 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.921 126.5 -49.9 53.8 53.5 -41.8 -19.5 -30.2 20 22 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.647 127.7 81.1 61.6 16.4 -44.1 -17.6 -32.6 21 23 A G E < S-C 18 0B 19 -3,-1.2 -3,-1.7 2,-0.0 2,-0.4 -0.622 77.0-103.6-131.3-166.1 -41.1 -16.3 -34.6 22 24 A T E -C 17 0B 55 77,-0.5 77,-1.1 -5,-0.2 2,-0.3 -0.971 20.9-173.9-130.0 144.7 -38.8 -17.6 -37.3 23 25 A V E -CD 16 98B 0 -7,-2.6 -7,-3.2 -2,-0.4 2,-0.5 -0.978 20.9-137.0-126.9 145.7 -35.3 -19.0 -37.6 24 26 A T E -CD 15 97B 6 73,-2.4 73,-2.7 -2,-0.3 2,-0.4 -0.902 22.1-163.8-104.0 130.0 -33.4 -19.8 -40.9 25 27 A A E -CD 14 96B 0 -11,-2.8 -11,-2.3 -2,-0.5 2,-0.6 -0.938 14.7-168.8-120.1 130.7 -31.5 -23.1 -40.7 26 28 A F E - D 0 95B 0 69,-3.1 69,-2.6 -2,-0.4 2,-0.4 -0.942 18.8-174.9-117.5 101.5 -28.8 -24.2 -43.1 27 29 A L E +m 57 0C 3 29,-2.2 31,-1.0 -2,-0.6 67,-0.2 -0.852 57.9 14.0-100.2 134.7 -28.2 -27.9 -42.4 28 30 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.912 67.4 166.5 73.3 43.7 -25.4 -29.9 -44.1 29 31 A I E - D 0 93B 0 64,-2.9 64,-2.2 -3,-0.3 -1,-0.2 -0.800 35.9-126.7 -81.9 128.9 -23.1 -27.3 -45.8 30 32 A P E + D 0 92B 8 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.509 29.1 178.4 -75.4 151.0 -19.8 -29.0 -46.8 31 33 A Y + 0 0 9 60,-1.5 16,-0.3 1,-0.2 2,-0.3 0.304 62.9 23.2-130.9 2.7 -16.6 -27.3 -45.6 32 34 A A S S- 0 0 4 59,-0.7 14,-0.2 14,-0.2 -1,-0.2 -0.992 89.8 -79.3-157.4 165.2 -13.9 -29.7 -47.0 33 35 A Q - 0 0 74 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.502 62.8 -96.9 -63.3 136.7 -13.2 -32.3 -49.7 34 36 A P - 0 0 48 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.330 37.3-128.6 -52.7 129.2 -14.7 -35.7 -48.7 35 37 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.420 59.3 134.6 -90.3 71.2 -11.7 -37.5 -47.1 36 38 A L > - 0 0 79 -2,-2.0 3,-2.0 3,-0.1 2,-0.3 -0.729 54.1 -4.0-113.1 160.1 -12.0 -40.7 -49.0 37 39 A G G > S+ 0 0 49 1,-0.3 3,-1.2 -2,-0.3 0, 0.0 -0.435 137.6 7.2 68.5-123.2 -9.6 -43.0 -50.9 38 40 A R G 3 S+ 0 0 208 -2,-0.3 -1,-0.3 1,-0.2 225,-0.0 0.664 130.2 62.3 -67.6 -14.8 -6.1 -41.6 -50.9 39 41 A L G X S+ 0 0 29 -3,-2.0 3,-2.3 -5,-0.1 -1,-0.2 0.579 71.3 117.7 -89.2 -10.0 -7.3 -38.8 -48.5 40 42 A R T < S+ 0 0 13 -3,-1.2 -4,-0.1 1,-0.3 3,-0.1 -0.399 86.2 12.6 -55.3 130.7 -8.3 -41.2 -45.6 41 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.375 107.4 111.9 78.0 -0.5 -6.0 -40.3 -42.6 42 44 A K S < S- 0 0 54 -3,-2.3 -1,-0.3 118,-0.1 117,-0.1 -0.647 79.3 -84.3-100.6 162.4 -4.9 -37.0 -44.1 43 45 A K - 0 0 76 115,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.235 61.2 -88.9 -52.2 148.9 -5.5 -33.4 -43.1 44 46 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.454 44.1-139.7 -66.8 135.5 -8.8 -32.1 -44.5 45 47 A Q - 0 0 70 -12,-0.4 -12,-2.8 -2,-0.1 -6,-0.0 -0.763 25.2 -97.3-101.5 149.5 -8.2 -30.5 -48.0 46 48 A S - 0 0 88 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.267 44.5-101.9 -76.3 152.6 -10.0 -27.3 -49.0 47 49 A L - 0 0 34 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.0 -0.573 20.3-135.9 -95.9 141.0 -13.1 -27.5 -51.0 48 50 A T - 0 0 110 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.784 42.7-100.0 -63.0 -54.1 -13.3 -26.9 -54.7 49 51 A K - 0 0 154 -41,-0.0 2,-0.4 2,-0.0 -40,-0.2 -0.143 25.8-135.2 129.9 130.3 -16.3 -24.7 -55.6 50 52 A W - 0 0 34 -42,-2.7 2,-0.5 -2,-0.1 -40,-0.2 -0.936 0.4-151.2-117.4 139.6 -19.8 -25.5 -56.9 51 53 A S S S+ 0 0 115 -2,-0.4 2,-0.2 -42,-0.1 -42,-0.1 -0.945 71.6 43.4 -99.2 132.1 -21.8 -23.7 -59.5 52 54 A D S S- 0 0 114 -2,-0.5 2,-0.7 2,-0.1 -42,-0.6 -0.534 102.6 -57.9 114.8 176.9 -25.5 -24.2 -58.7 53 55 A I E -b 10 0A 58 -2,-0.2 2,-0.4 -44,-0.1 -42,-0.2 -0.850 45.2-145.2 -99.2 115.7 -27.5 -24.0 -55.5 54 56 A W E -b 11 0A 82 -44,-3.4 -42,-2.7 -2,-0.7 2,-0.7 -0.650 16.8-133.2 -75.2 130.4 -26.4 -26.3 -52.8 55 57 A N E +b 12 0A 90 -2,-0.4 2,-0.5 -44,-0.2 3,-0.2 -0.740 26.0 177.5 -91.3 113.8 -29.4 -27.5 -50.7 56 58 A A + 0 0 0 -44,-2.3 -29,-2.2 -2,-0.7 -42,-0.2 -0.530 41.1 117.2-114.0 65.7 -28.8 -27.3 -47.0 57 59 A T B +m 27 0C 53 -2,-0.5 2,-0.3 -31,-0.2 -1,-0.2 0.147 66.9 40.3-126.4 15.8 -32.1 -28.5 -45.8 58 60 A K S S- 0 0 161 -31,-1.0 -1,-0.1 -3,-0.2 0, 0.0 -0.976 88.7 -91.5-158.2 149.2 -31.3 -31.7 -43.9 59 61 A Y - 0 0 41 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.296 47.8-129.6 -56.7 149.0 -28.6 -32.9 -41.5 60 62 A A - 0 0 20 1,-0.2 62,-0.1 30,-0.1 -1,-0.1 -0.369 38.1 -58.2 -91.0 172.2 -25.6 -34.6 -43.3 61 63 A N - 0 0 49 28,-0.2 2,-0.2 -2,-0.1 25,-0.2 -0.233 49.9-131.3 -38.0 130.6 -23.9 -37.9 -42.8 62 64 A S E -n 86 0D 0 23,-2.1 25,-1.6 1,-0.1 27,-0.1 -0.638 36.2 -96.0 -78.9 153.0 -22.3 -38.5 -39.3 63 65 A a E -n 87 0D 3 56,-0.3 25,-0.2 -2,-0.2 56,-0.1 -0.351 50.7 -79.1 -67.7 151.9 -18.7 -39.7 -39.4 64 66 A C + 0 0 13 23,-0.5 82,-0.5 22,-0.1 2,-0.3 -0.210 69.4 148.2 -49.1 134.7 -17.8 -43.5 -39.1 65 67 A Q - 0 0 5 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.939 50.3-103.4-167.8 146.9 -17.9 -44.6 -35.4 66 68 A N - 0 0 61 51,-0.4 2,-0.3 -2,-0.3 81,-0.0 -0.494 43.2-133.3 -68.9 152.9 -18.7 -47.5 -33.1 67 69 A I - 0 0 62 -2,-0.2 2,-0.7 51,-0.1 14,-0.1 -0.826 15.3-107.7-116.7 146.7 -22.1 -47.2 -31.5 68 70 A D + 0 0 44 -2,-0.3 3,-0.2 1,-0.1 13,-0.1 -0.657 41.7 165.5 -74.2 110.7 -23.1 -47.7 -27.8 69 71 A Q + 0 0 157 -2,-0.7 -1,-0.1 1,-0.1 9,-0.0 0.088 43.1 107.1-112.8 20.7 -25.1 -51.1 -27.7 70 72 A S S S+ 0 0 67 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.805 90.2 24.0 -65.5 -33.2 -25.0 -51.5 -23.9 71 73 A F S > S- 0 0 39 -3,-0.2 3,-2.0 3,-0.1 7,-0.3 -0.519 78.4-164.8-135.0 65.2 -28.7 -50.6 -23.4 72 74 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.227 77.9 16.9 -54.4 138.4 -30.7 -51.2 -26.6 73 75 A G T 3 S+ 0 0 71 1,-0.2 2,-0.6 2,-0.0 0, 0.0 0.390 96.4 121.2 85.0 -3.2 -34.2 -49.5 -26.5 74 76 A F X> - 0 0 30 -3,-2.0 4,-2.4 1,-0.1 3,-1.2 -0.853 54.7-153.5-103.4 119.6 -33.2 -47.2 -23.6 75 77 A H H 3> S+ 0 0 125 -2,-0.6 4,-2.1 1,-0.3 -1,-0.1 0.753 88.5 69.4 -65.0 -24.8 -33.4 -43.5 -24.3 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.843 115.5 23.0 -63.0 -35.1 -30.7 -42.7 -21.7 77 79 A S H X4 S+ 0 0 2 -3,-1.2 3,-1.8 -6,-0.3 4,-0.3 0.832 120.6 58.1 -95.6 -39.5 -28.0 -44.2 -23.9 78 80 A E H >< S+ 0 0 80 -4,-2.4 3,-1.5 -7,-0.3 -3,-0.2 0.764 88.3 70.9 -69.9 -25.5 -29.6 -44.0 -27.2 79 81 A M T 3< S+ 0 0 29 -4,-2.1 -1,-0.3 1,-0.2 46,-0.3 0.642 99.5 54.4 -59.3 -14.9 -30.1 -40.2 -27.3 80 82 A W T < S+ 0 0 60 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.514 88.4 98.6 -94.9 -10.4 -26.2 -40.1 -27.7 81 83 A N S < S- 0 0 32 -3,-1.5 -14,-0.1 -4,-0.3 39,-0.1 -0.498 89.3 -87.1 -78.7 147.9 -26.1 -42.4 -30.7 82 84 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.235 31.2-162.2 -55.5 140.3 -25.8 -40.9 -34.3 83 85 A N + 0 0 86 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.012 69.6 55.0-117.7 18.7 -29.2 -40.0 -35.9 84 86 A T S S- 0 0 34 0, 0.0 -23,-0.1 0, 0.0 -24,-0.1 -0.945 101.7 -67.7-135.4 167.1 -28.0 -39.9 -39.5 85 87 A D - 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