==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-10 2XMB . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.NACHON,E.CARLETTI,M.WANDHAMMER,Y.NICOLET,L.M.SCHOPFER,P.MA . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 66.0 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.9 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 . 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 1 1 2 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 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,-0.7 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 119.3 -35.7 -20.1 -53.2 2 4 A I + 0 0 53 11,-0.4 11,-3.0 2,-0.0 2,-0.5 -0.906 360.0 165.6-111.3 98.9 -32.8 -19.3 -50.8 3 5 A I E -A 12 0A 65 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.979 14.0-169.5-117.5 124.2 -29.6 -19.4 -52.9 4 6 A I E -A 11 0A 27 7,-2.2 7,-2.0 -2,-0.5 2,-0.7 -0.976 20.9-131.6-116.5 128.9 -26.3 -18.0 -51.4 5 7 A A E -A 10 0A 71 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.703 30.2-175.0 -78.5 109.8 -23.2 -17.5 -53.6 6 8 A T E > -A 9 0A 14 3,-1.4 3,-0.8 -2,-0.7 173,-0.1 -0.488 44.6 -95.8 -94.6 173.0 -20.2 -19.0 -51.7 7 9 A K T 3 S+ 0 0 155 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.883 127.1 43.5 -51.6 -35.6 -16.5 -18.8 -52.8 8 10 A N T 3 S- 0 0 39 1,-0.3 42,-2.8 41,-0.1 2,-0.2 0.557 127.9 -69.7 -93.6 -10.4 -17.0 -22.3 -54.4 9 11 A G E < -A 6 0A 15 -3,-0.8 -3,-1.4 40,-0.2 -1,-0.3 -0.732 69.7 -42.1 140.4 177.9 -20.4 -21.9 -56.0 10 12 A K E -Ab 5 53A 106 42,-0.7 44,-2.4 -2,-0.2 2,-0.4 -0.324 44.8-163.3 -78.3 150.3 -24.0 -21.5 -55.1 11 13 A V E -Ab 4 54A 0 -7,-2.0 -7,-2.2 42,-0.2 2,-0.5 -0.978 11.5-139.9-127.1 145.0 -25.7 -23.4 -52.3 12 14 A R E -Ab 3 55A 59 42,-3.4 44,-1.8 -2,-0.4 -9,-0.2 -0.909 22.4-174.5-104.3 132.5 -29.5 -23.8 -51.7 13 15 A G - 0 0 4 -11,-3.0 -11,-0.4 -2,-0.5 2,-0.3 -0.271 13.4-130.8-106.1-171.0 -30.8 -23.7 -48.2 14 16 A M E -C 25 0B 51 11,-2.5 11,-2.9 42,-0.2 2,-0.3 -0.972 15.3-117.0-140.9 163.1 -34.3 -24.2 -46.6 15 17 A Q E -C 24 0B 103 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.804 24.6-165.1 -99.3 140.7 -36.6 -22.4 -44.2 16 18 A L E -C 23 0B 39 7,-2.9 7,-2.2 -2,-0.3 2,-0.5 -0.954 20.4-128.0-123.1 144.9 -37.6 -23.8 -40.8 17 19 A T E +C 22 0B 121 -2,-0.4 2,-0.4 5,-0.2 5,-0.3 -0.791 34.8 173.6 -90.8 123.7 -40.4 -22.7 -38.6 18 20 A V E > -C 21 0B 4 3,-2.2 3,-2.0 -2,-0.5 -2,-0.0 -0.980 62.8 -26.4-137.4 121.5 -39.0 -22.1 -35.1 19 21 A F T 3 S- 0 0 65 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.850 126.3 -44.2 43.2 51.2 -41.0 -20.6 -32.2 20 22 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.645 131.2 68.9 75.1 11.0 -43.4 -18.6 -34.4 21 23 A G E < S-C 18 0B 17 -3,-2.0 -3,-2.2 2,-0.0 2,-0.4 -0.625 80.7 -96.5-135.0-157.8 -40.5 -17.4 -36.7 22 24 A T E -C 17 0B 52 77,-0.3 77,-1.3 -5,-0.3 2,-0.4 -0.966 18.2-170.3-132.0 145.0 -38.1 -18.7 -39.2 23 25 A V E -CD 16 98B 0 -7,-2.2 -7,-2.9 -2,-0.4 2,-0.4 -0.973 21.8-137.2-123.9 139.6 -34.5 -19.9 -39.3 24 26 A T E -CD 15 97B 15 73,-2.7 73,-3.0 -2,-0.4 2,-0.4 -0.857 24.7-165.1 -95.1 135.4 -32.7 -20.6 -42.7 25 27 A A E -CD 14 96B 0 -11,-2.9 -11,-2.5 -2,-0.4 2,-0.5 -0.978 21.6-169.7-127.7 136.1 -30.6 -23.8 -42.7 26 28 A F E - D 0 95B 3 69,-2.7 69,-2.6 -2,-0.4 2,-0.4 -0.945 19.7-172.0-118.3 103.6 -28.0 -25.0 -45.0 27 29 A L E +m 57 0C 12 29,-1.9 31,-1.0 -2,-0.5 67,-0.2 -0.817 62.8 10.9-101.6 132.5 -27.4 -28.7 -43.9 28 30 A G E + 0 0 4 -2,-0.4 -1,-0.2 1,-0.2 66,-0.2 0.887 66.8 170.4 73.0 44.2 -24.4 -30.5 -45.5 29 31 A I E - D 0 93B 0 64,-3.1 64,-1.9 -3,-0.4 -1,-0.2 -0.716 36.4-123.6 -79.8 128.5 -22.3 -27.9 -47.4 30 32 A P E + D 0 92B 7 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.488 31.7 176.7 -71.8 149.4 -19.0 -29.7 -48.5 31 33 A Y + 0 0 7 60,-1.8 16,-0.3 1,-0.3 2,-0.3 0.389 62.2 26.6-130.3 1.8 -15.8 -27.9 -47.3 32 34 A A S S- 0 0 3 59,-0.7 -1,-0.3 14,-0.2 14,-0.2 -0.973 91.9 -83.8-158.2 157.7 -13.1 -30.3 -48.6 33 35 A Q - 0 0 49 12,-2.5 12,-0.4 -2,-0.3 14,-0.1 -0.436 63.9 -96.3 -58.7 132.5 -12.4 -32.8 -51.3 34 36 A P - 0 0 43 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.369 37.9-125.7 -53.0 129.3 -13.9 -36.1 -50.1 35 37 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.391 58.9 138.6 -86.0 65.6 -10.8 -37.9 -48.5 36 38 A L > - 0 0 80 -2,-1.9 3,-2.0 3,-0.1 2,-0.4 -0.701 53.9 -7.1-107.0 160.5 -11.0 -41.2 -50.5 37 39 A G G > S+ 0 0 49 1,-0.3 3,-1.0 -2,-0.3 0, 0.0 -0.496 138.8 6.5 65.1-117.1 -8.5 -43.5 -52.2 38 40 A R G 3 S+ 0 0 156 -2,-0.4 -1,-0.3 1,-0.2 225,-0.0 0.638 128.9 64.2 -72.0 -14.4 -5.1 -41.9 -52.2 39 41 A L G X S+ 0 0 12 -3,-2.0 3,-2.1 -5,-0.1 -1,-0.2 0.600 73.1 116.0 -89.0 -13.5 -6.5 -39.1 -49.9 40 42 A R T < S+ 0 0 13 -3,-1.0 -4,-0.1 1,-0.3 3,-0.1 -0.351 87.2 10.0 -53.6 131.5 -7.3 -41.5 -47.1 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.244 107.8 115.3 73.9 -6.1 -5.1 -40.6 -44.0 42 44 A K S < S- 0 0 45 -3,-2.1 -1,-0.3 118,-0.1 117,-0.1 -0.465 78.9 -88.8 -87.7 159.4 -4.0 -37.3 -45.7 43 45 A K - 0 0 70 115,-0.4 -1,-0.1 -2,-0.1 121,-0.1 -0.363 61.5 -88.8 -54.2 147.8 -4.7 -33.7 -44.7 44 46 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.393 43.8-139.2 -67.0 139.4 -8.0 -32.5 -46.2 45 47 A Q - 0 0 61 -12,-0.4 -12,-2.5 1,-0.1 3,-0.1 -0.695 26.8 -93.2-101.2 155.7 -7.5 -30.9 -49.6 46 48 A S - 0 0 88 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.240 53.4 -81.8 -79.3 163.0 -9.3 -27.9 -50.7 47 49 A L - 0 0 27 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.0 -0.369 25.6-131.3 -84.0 138.6 -12.6 -28.1 -52.6 48 50 A T - 0 0 99 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.715 45.7-129.2 -57.2 -31.7 -12.7 -28.7 -56.4 49 51 A K - 0 0 155 1,-0.0 2,-0.3 -40,-0.0 -40,-0.2 0.539 24.9-152.7 82.5 135.5 -15.2 -25.8 -57.0 50 52 A W - 0 0 52 -42,-2.8 2,-0.2 2,-0.1 -40,-0.2 -0.920 14.5-140.1-143.5 153.0 -18.6 -26.0 -59.0 51 53 A S S S+ 0 0 103 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.687 73.6 38.4-110.0 169.0 -21.2 -24.0 -61.1 52 54 A D S S- 0 0 109 -2,-0.2 -42,-0.7 2,-0.0 2,-0.5 -0.268 103.6 -47.0 68.1-169.5 -24.9 -24.6 -60.7 53 55 A I E -b 10 0A 55 -44,-0.1 2,-0.6 -42,-0.1 -42,-0.2 -0.845 35.7-151.5-111.8 123.8 -26.5 -25.2 -57.3 54 56 A W E -b 11 0A 92 -44,-2.4 -42,-3.4 -2,-0.5 2,-1.3 -0.800 24.1-135.9 -82.2 119.6 -25.5 -27.5 -54.4 55 57 A N E -b 12 0A 87 -2,-0.6 2,-1.5 -44,-0.2 3,-0.2 -0.613 22.1-176.5 -77.0 98.8 -28.7 -28.4 -52.5 56 58 A A + 0 0 0 -44,-1.8 -29,-1.9 -2,-1.3 -42,-0.2 -0.478 43.9 120.5 -90.9 67.4 -27.7 -28.0 -48.8 57 59 A T B +m 27 0C 50 -2,-1.5 2,-0.3 -31,-0.2 -1,-0.2 0.187 63.4 37.1-123.4 18.1 -31.1 -29.3 -47.7 58 60 A K S S- 0 0 159 -31,-1.0 -1,-0.1 -3,-0.2 2,-0.0 -0.956 91.1 -87.8-159.1 151.1 -30.4 -32.4 -45.6 59 61 A Y - 0 0 51 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.346 49.6-129.2 -53.3 140.2 -27.7 -33.6 -43.2 60 62 A A - 0 0 21 1,-0.2 62,-0.1 24,-0.1 -32,-0.1 -0.259 37.5 -62.2 -82.6 173.8 -24.7 -35.2 -44.9 61 63 A N - 0 0 45 28,-0.3 2,-0.3 -33,-0.1 25,-0.2 -0.144 51.0-128.8 -44.9 142.7 -22.9 -38.6 -44.3 62 64 A S E -n 86 0D 0 23,-2.4 25,-2.6 22,-0.1 27,-0.1 -0.768 34.6 -93.6 -90.6 156.3 -21.3 -39.0 -40.9 63 65 A a E -n 87 0D 2 -2,-0.3 25,-0.2 56,-0.3 56,-0.1 -0.275 52.2 -84.7 -67.8 147.4 -17.6 -40.1 -40.8 64 66 A C + 0 0 11 23,-0.6 82,-0.5 22,-0.1 2,-0.3 -0.244 67.9 146.9 -44.9 139.7 -16.8 -43.9 -40.5 65 67 A Q - 0 0 4 -3,-0.1 2,-0.2 80,-0.1 53,-0.1 -0.941 52.3 -96.3-173.3 151.3 -16.8 -44.9 -36.8 66 68 A N - 0 0 63 51,-0.4 2,-0.3 -2,-0.3 81,-0.0 -0.553 44.4-130.2 -72.0 145.4 -17.7 -47.8 -34.6 67 69 A I - 0 0 54 -2,-0.2 2,-0.9 51,-0.1 11,-0.1 -0.766 19.0-107.0-104.0 147.5 -21.2 -47.6 -33.1 68 70 A D + 0 0 42 -2,-0.3 3,-0.3 1,-0.2 13,-0.1 -0.614 43.6 167.9 -71.2 107.2 -22.2 -48.0 -29.4 69 71 A Q + 0 0 161 -2,-0.9 -1,-0.2 1,-0.2 9,-0.0 0.140 43.6 105.1-108.0 18.2 -23.9 -51.4 -29.4 70 72 A S S S+ 0 0 61 1,-0.3 -1,-0.2 7,-0.0 -2,-0.0 0.805 89.4 22.4 -68.2 -37.6 -24.0 -51.8 -25.6 71 73 A F S > S- 0 0 40 -3,-0.3 3,-2.1 3,-0.1 7,-0.3 -0.620 79.7-161.6-132.5 71.4 -27.7 -51.1 -24.9 72 74 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.295 78.6 17.5 -54.8 136.2 -29.7 -51.7 -28.1 73 75 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.1 0, 0.0 0.301 96.5 123.5 87.5 -6.3 -33.1 -50.1 -28.1 74 76 A F X> - 0 0 36 -3,-2.1 4,-2.5 1,-0.1 3,-1.0 -0.767 52.5-154.9 -97.9 121.0 -32.1 -47.7 -25.3 75 77 A H H 3> S+ 0 0 123 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.818 87.5 67.8 -64.7 -31.6 -32.4 -44.0 -25.9 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.853 117.3 24.1 -59.8 -30.7 -29.7 -43.0 -23.3 77 79 A S H X4 S+ 0 0 1 -3,-1.0 3,-1.4 -6,-0.2 4,-0.4 0.843 119.6 55.7-102.0 -38.5 -27.0 -44.6 -25.5 78 80 A E H >< S+ 0 0 81 -4,-2.5 3,-1.3 -7,-0.3 -3,-0.2 0.751 90.9 72.6 -71.1 -25.6 -28.5 -44.5 -28.9 79 81 A M T 3< S+ 0 0 32 -4,-2.2 -1,-0.3 1,-0.3 46,-0.3 0.720 99.1 51.2 -55.3 -22.7 -29.1 -40.8 -28.9 80 82 A W T < S+ 0 0 60 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.605 90.3 100.3 -90.4 -16.6 -25.3 -40.5 -29.3 81 83 A N S < S- 0 0 27 -3,-1.3 -14,-0.1 -4,-0.4 39,-0.1 -0.356 88.1 -89.5 -73.8 151.0 -25.1 -42.9 -32.3 82 84 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.225 31.4-162.2 -62.9 149.7 -24.8 -41.4 -35.7 83 85 A N + 0 0 83 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.157 69.1 57.3-125.1 14.4 -28.1 -40.7 -37.6 84 86 A T S S- 0 0 31 1,-0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.906 102.3 -74.0-127.4 170.9 -27.0 -40.5 -41.2 85 87 A D - 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