==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-12 4AXB . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WANDHAMMER,M.DE KONING,D.NOORT,M.GOELDNER,F.NACHON . 527 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 63.9 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 . 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.9 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 . 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 2 1 0 2 2 1 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 0 147 0, 0.0 2,-0.6 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 112.5 -36.7 -19.1 -50.3 2 4 A I + 0 0 40 11,-0.4 11,-2.2 2,-0.0 2,-0.4 -0.903 360.0 174.9-110.1 112.7 -33.5 -18.0 -48.4 3 5 A I E -A 12 0A 64 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.942 9.6-169.4-120.1 135.9 -30.3 -18.1 -50.4 4 6 A I E -A 11 0A 14 7,-2.5 7,-2.1 -2,-0.4 2,-0.7 -0.980 19.7-133.8-126.6 129.2 -26.9 -16.9 -49.3 5 7 A A E -A 10 0A 71 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.751 29.8-176.5 -86.7 116.4 -23.8 -16.6 -51.5 6 8 A T E > -A 9 0A 14 3,-2.9 3,-0.8 -2,-0.7 173,-0.1 -0.532 44.7 -95.2-102.6 174.3 -20.7 -18.1 -49.8 7 9 A K T 3 S+ 0 0 136 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.791 126.1 37.2 -58.9 -25.3 -17.1 -18.1 -51.1 8 10 A N T 3 S- 0 0 29 1,-0.4 42,-2.3 41,-0.1 2,-0.3 0.438 127.1 -58.2-108.6 -4.3 -17.7 -21.6 -52.6 9 11 A G E < -A 6 0A 16 -3,-0.8 -3,-2.9 40,-0.2 -1,-0.4 -0.899 66.1 -49.1 151.8 174.6 -21.2 -21.3 -53.8 10 12 A K E -Ab 5 53A 112 42,-0.9 44,-3.1 -2,-0.3 2,-0.4 -0.626 43.7-163.8 -76.7 135.5 -24.8 -20.6 -53.2 11 13 A V E -Ab 4 54A 0 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.4 -0.994 6.6-151.6-120.4 138.0 -26.6 -22.3 -50.3 12 14 A R E -Ab 3 55A 62 42,-2.3 44,-2.6 -2,-0.4 -9,-0.2 -0.884 17.1-168.9 -98.4 131.5 -30.4 -22.6 -49.7 13 15 A G - 0 0 7 -11,-2.2 -11,-0.4 -2,-0.4 2,-0.3 -0.328 15.4-121.4-102.6-173.9 -31.8 -22.8 -46.1 14 16 A M E -C 25 0B 59 11,-2.6 11,-2.8 42,-0.3 2,-0.3 -0.965 19.7-122.8-129.0 156.3 -35.1 -23.6 -44.6 15 17 A Q E -C 24 0B 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.703 24.6-167.7 -99.6 147.7 -37.4 -21.6 -42.3 16 18 A L E -C 23 0B 41 7,-2.3 7,-2.2 -2,-0.3 2,-0.5 -0.995 19.7-130.4-136.8 141.9 -38.5 -22.9 -38.9 17 19 A T E +C 22 0B 117 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.798 32.2 170.1 -91.6 125.9 -41.1 -21.6 -36.5 18 20 A V E > -C 21 0B 7 3,-1.4 3,-2.0 -2,-0.5 -2,-0.1 -0.964 66.3 -20.2-140.0 123.0 -39.8 -21.3 -33.0 19 21 A F T 3 S- 0 0 62 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.875 126.4 -49.1 45.5 55.4 -41.7 -19.6 -30.1 20 22 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.602 127.8 86.3 62.6 11.4 -44.0 -17.6 -32.4 21 23 A G E < S-C 18 0B 17 -3,-2.0 -3,-1.4 2,-0.0 2,-0.4 -0.522 75.5-106.7-125.3-166.5 -40.9 -16.4 -34.4 22 24 A T E -C 17 0B 53 77,-0.5 77,-1.4 -5,-0.2 2,-0.3 -0.984 22.4-178.4-132.1 140.1 -38.7 -17.6 -37.3 23 25 A V E -CD 16 98B 0 -7,-2.2 -7,-2.3 -2,-0.4 2,-0.5 -0.977 22.1-138.0-125.5 140.2 -35.1 -19.0 -37.4 24 26 A T E -CD 15 97B 5 73,-2.3 73,-2.5 -2,-0.3 2,-0.5 -0.905 19.8-160.1-100.5 129.8 -33.4 -20.0 -40.7 25 27 A A E -CD 14 96B 0 -11,-2.8 -11,-2.6 -2,-0.5 2,-0.5 -0.915 14.4-169.7-112.5 130.7 -31.5 -23.2 -40.6 26 28 A F E - D 0 95B 0 69,-2.9 69,-2.7 -2,-0.5 2,-0.5 -0.961 20.3-174.5-111.8 102.9 -28.7 -24.2 -43.0 27 29 A L E +m 57 0C 11 29,-2.6 31,-1.0 -2,-0.5 67,-0.2 -0.892 56.8 10.7-106.2 129.4 -28.1 -27.9 -42.2 28 30 A G E + 0 0 4 -2,-0.5 -1,-0.2 65,-0.5 66,-0.2 0.938 67.9 167.9 78.9 50.2 -25.3 -29.9 -43.9 29 31 A I E - D 0 93B 0 64,-3.2 64,-2.1 -3,-0.3 -1,-0.2 -0.843 36.4-123.2 -91.9 131.5 -23.1 -27.4 -45.7 30 32 A P E + D 0 92B 9 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.428 30.8 177.5 -74.9 151.7 -19.8 -29.0 -46.8 31 33 A Y + 0 0 7 60,-1.6 16,-0.3 1,-0.3 2,-0.3 0.335 61.8 20.1-134.3 5.3 -16.7 -27.4 -45.5 32 34 A A S S- 0 0 3 59,-0.6 -1,-0.3 14,-0.2 14,-0.2 -0.980 90.5 -77.5-161.0 161.7 -13.8 -29.7 -46.9 33 35 A Q - 0 0 65 12,-2.4 12,-0.5 -2,-0.3 14,-0.1 -0.471 64.3 -94.3 -59.6 138.3 -13.1 -32.3 -49.6 34 36 A P - 0 0 47 0, 0.0 2,-2.6 0, 0.0 5,-0.2 -0.300 36.8-125.0 -52.7 124.1 -14.6 -35.7 -48.4 35 37 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.339 62.5 136.0 -81.6 70.1 -11.7 -37.5 -46.7 36 38 A L > - 0 0 76 -2,-2.6 3,-2.6 3,-0.1 2,-0.0 -0.696 54.0 -10.5-116.8 159.2 -11.9 -40.7 -48.9 37 39 A G G > S+ 0 0 50 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.296 137.9 8.1 59.4-124.7 -9.6 -43.0 -50.8 38 40 A R G 3 S+ 0 0 208 1,-0.2 -1,-0.3 3,-0.0 225,-0.0 0.747 130.3 62.1 -58.0 -23.0 -6.1 -41.4 -50.8 39 41 A L G X S+ 0 0 34 -3,-2.6 3,-1.8 -5,-0.2 -1,-0.2 0.576 72.2 115.9 -81.7 -10.6 -7.4 -38.7 -48.4 40 42 A R T < S+ 0 0 13 -3,-1.5 -4,-0.1 1,-0.2 3,-0.1 -0.410 84.6 13.3 -60.9 135.7 -8.2 -41.0 -45.5 41 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.2 0.290 107.3 111.2 80.5 -4.7 -6.0 -40.3 -42.4 42 44 A K S < S- 0 0 51 -3,-1.8 -1,-0.3 1,-0.2 3,-0.1 -0.609 80.6 -82.8 -99.6 158.4 -4.8 -37.0 -43.8 43 45 A K - 0 0 74 115,-0.3 -1,-0.2 -2,-0.2 2,-0.1 -0.139 62.1 -90.7 -45.6 146.3 -5.4 -33.4 -42.9 44 46 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.470 43.2-137.0 -68.6 140.5 -8.7 -32.1 -44.3 45 47 A Q - 0 0 72 -12,-0.5 -12,-2.4 -2,-0.1 3,-0.1 -0.748 25.8 -95.4 -99.1 149.1 -8.2 -30.5 -47.8 46 48 A S - 0 0 85 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.226 47.8 -92.1 -65.9 150.4 -9.9 -27.2 -48.8 47 49 A L - 0 0 33 -16,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.455 22.4-148.1 -74.0 131.6 -13.2 -27.2 -50.8 48 50 A T - 0 0 99 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.811 44.9-123.4 -69.3 -37.0 -13.0 -27.2 -54.6 49 51 A K - 0 0 145 2,-0.0 2,-0.3 -40,-0.0 -40,-0.2 0.195 17.5-122.7 99.6 147.1 -16.3 -25.2 -55.0 50 52 A W - 0 0 38 -42,-2.3 2,-0.3 2,-0.1 -40,-0.2 -0.857 2.7-143.3-124.3 147.2 -19.6 -25.7 -56.8 51 53 A S S S+ 0 0 113 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.836 74.3 36.3-100.3 152.5 -21.7 -23.8 -59.3 52 54 A D S S- 0 0 113 -2,-0.3 -42,-0.9 2,-0.1 2,-0.5 -0.321 103.8 -48.5 88.9-179.0 -25.5 -24.0 -58.6 53 55 A I E -b 10 0A 54 -44,-0.1 2,-0.7 -2,-0.1 -42,-0.2 -0.803 41.8-147.1 -98.7 119.1 -27.4 -24.1 -55.3 54 56 A W E -b 11 0A 84 -44,-3.1 -42,-2.3 -2,-0.5 2,-0.7 -0.762 19.2-136.4 -82.2 118.3 -26.4 -26.4 -52.5 55 57 A N E -b 12 0A 90 -2,-0.7 2,-0.6 -44,-0.2 3,-0.2 -0.667 21.6-176.4 -75.1 108.6 -29.6 -27.5 -50.6 56 58 A A + 0 0 0 -44,-2.6 -29,-2.6 -2,-0.7 -42,-0.3 -0.518 43.7 118.9-103.5 64.5 -28.8 -27.2 -46.9 57 59 A T B +m 27 0C 57 -2,-0.6 2,-0.3 -31,-0.2 -1,-0.2 0.299 64.5 38.7-118.9 4.1 -32.1 -28.6 -45.7 58 60 A K S S- 0 0 163 -31,-1.0 -1,-0.1 -3,-0.2 2,-0.0 -0.991 89.5 -89.8-151.6 151.0 -31.3 -31.8 -43.8 59 61 A Y - 0 0 56 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.337 48.4-128.5 -56.0 137.0 -28.6 -32.9 -41.4 60 62 A A - 0 0 19 1,-0.2 62,-0.1 24,-0.1 -1,-0.1 -0.249 39.1 -61.4 -77.7 173.5 -25.6 -34.5 -43.2 61 63 A N - 0 0 49 28,-0.3 2,-0.2 -33,-0.1 25,-0.2 -0.283 49.9-130.2 -46.1 132.4 -23.9 -37.9 -42.6 62 64 A S E -n 86 0D 0 23,-1.8 25,-1.8 22,-0.1 27,-0.1 -0.636 36.5 -93.7 -79.3 149.6 -22.4 -38.4 -39.2 63 65 A a E -n 87 0D 3 56,-0.3 25,-0.2 -2,-0.2 56,-0.1 -0.259 50.7 -81.6 -64.8 151.4 -18.7 -39.6 -39.2 64 66 A C + 0 0 13 23,-0.6 82,-0.5 22,-0.1 2,-0.3 -0.229 69.4 147.6 -49.4 134.0 -17.8 -43.4 -38.9 65 67 A Q - 0 0 5 -3,-0.1 2,-0.1 80,-0.1 53,-0.1 -0.960 50.5-100.1-166.5 150.0 -18.0 -44.5 -35.3 66 68 A N - 0 0 59 51,-0.4 2,-0.3 -2,-0.3 81,-0.0 -0.460 44.2-133.6 -67.8 150.9 -18.7 -47.4 -32.9 67 69 A I - 0 0 63 -2,-0.1 2,-0.6 14,-0.1 11,-0.1 -0.849 14.0-107.8-111.9 149.1 -22.1 -47.2 -31.3 68 70 A D + 0 0 42 -2,-0.3 3,-0.1 9,-0.2 13,-0.1 -0.627 43.4 160.9 -71.8 111.9 -23.3 -47.6 -27.7 69 71 A Q + 0 0 156 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 0.137 40.3 107.0-118.4 21.4 -25.3 -50.9 -27.5 70 72 A S S S+ 0 0 64 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.841 93.1 25.1 -64.4 -33.7 -25.2 -51.6 -23.8 71 73 A F S > S- 0 0 39 3,-0.1 3,-2.1 -3,-0.1 7,-0.3 -0.480 78.4-163.8-133.6 72.0 -28.9 -50.7 -23.4 72 74 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.208 80.8 16.5 -53.0 136.1 -30.9 -51.2 -26.6 73 75 A G T 3 S+ 0 0 70 1,-0.2 2,-0.6 2,-0.1 0, 0.0 0.336 95.7 120.3 81.7 -6.8 -34.3 -49.4 -26.4 74 76 A F X> - 0 0 31 -3,-2.1 4,-2.2 1,-0.1 3,-0.9 -0.840 54.3-152.4 -96.4 120.6 -33.2 -47.2 -23.5 75 77 A H H 3> S+ 0 0 122 -2,-0.6 4,-2.5 1,-0.2 5,-0.1 0.767 87.9 68.1 -62.4 -30.4 -33.4 -43.4 -24.2 76 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.837 115.4 25.5 -64.6 -32.8 -30.6 -42.5 -21.7 77 79 A S H X4 S+ 0 0 1 -3,-0.9 3,-1.6 -6,-0.2 4,-0.3 0.836 121.0 53.9 -94.9 -40.5 -27.9 -44.2 -23.8 78 80 A E H >< S+ 0 0 82 -4,-2.2 3,-1.2 -7,-0.3 -3,-0.2 0.785 90.2 74.0 -73.8 -26.1 -29.5 -44.1 -27.2 79 81 A M T 3< S+ 0 0 29 -4,-2.5 -1,-0.3 1,-0.2 46,-0.3 0.721 99.3 52.1 -49.2 -20.9 -30.0 -40.2 -27.1 80 82 A W T < S+ 0 0 61 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.632 89.0 95.8 -95.8 -15.3 -26.2 -40.1 -27.6 81 83 A N S < S- 0 0 29 -3,-1.2 -14,-0.1 -4,-0.3 39,-0.1 -0.422 91.0 -84.4 -73.6 150.3 -26.0 -42.4 -30.7 82 84 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.221 30.6-162.1 -60.4 144.9 -25.9 -40.9 -34.2 83 85 A N S S+ 0 0 89 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.019 72.4 58.8-115.1 18.9 -29.3 -40.0 -35.7 84 86 A T S S- 0 0 30 0, 0.0 -22,-0.1 0, 0.0 -24,-0.1 -0.960 101.1 -76.3-136.1 156.8 -28.0 -39.8 -39.3 85 87 A D - 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