==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-12 4BDS . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.NACHON,E.CARLETTI,C.RONCO,M.TROVASLET,Y.NICOLET,L.JEAN,P.- . 525 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.9 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.5 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 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 . 1 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 4 A I 0 0 100 0, 0.0 11,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.5 122.0 137.7 15.1 2 5 A I E -A 11 0A 73 9,-0.2 2,-0.5 7,-0.0 9,-0.2 -0.970 360.0-164.3-128.9 128.4 125.3 137.4 13.2 3 6 A I E -A 10 0A 14 7,-2.8 7,-2.3 -2,-0.4 2,-0.5 -0.954 16.4-135.1-119.4 128.5 128.7 138.5 14.4 4 7 A A E -A 9 0A 68 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.691 29.0-179.6 -78.9 121.7 131.8 139.0 12.2 5 8 A T E > -A 8 0A 16 3,-1.9 3,-0.7 -2,-0.5 173,-0.1 -0.635 44.1 -95.3-110.1 177.2 135.0 137.5 13.8 6 9 A K T 3 S+ 0 0 155 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.823 125.1 37.8 -60.6 -34.0 138.6 137.4 12.5 7 10 A N T 3 S- 0 0 38 1,-0.3 42,-3.4 41,-0.1 2,-0.2 0.425 129.1 -63.6-102.1 -0.8 138.1 133.9 10.9 8 11 A G E < -A 5 0A 14 -3,-0.7 -3,-1.9 40,-0.2 -1,-0.3 -0.819 66.9 -43.7 145.3 179.1 134.6 134.4 9.7 9 12 A K E -Ab 4 52A 111 42,-0.8 44,-3.3 40,-0.3 2,-0.4 -0.528 43.3-165.0 -79.7 141.1 130.9 135.0 10.5 10 13 A V E -Ab 3 53A 0 -7,-2.3 -7,-2.8 -2,-0.2 2,-0.4 -0.983 7.2-150.1-124.9 140.5 129.1 133.2 13.4 11 14 A R E -Ab 2 54A 94 42,-2.9 44,-2.6 -2,-0.4 -9,-0.2 -0.923 17.6-173.4-106.9 133.8 125.4 133.0 14.0 12 15 A G - 0 0 8 -11,-2.1 2,-0.3 -2,-0.4 13,-0.2 -0.221 16.8-116.3-106.3-161.9 124.0 132.7 17.5 13 16 A M E -C 24 0B 66 11,-2.1 11,-2.9 42,-0.2 2,-0.3 -0.993 18.7-117.8-142.9 149.2 120.6 132.1 19.1 14 17 A Q E -C 23 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.682 27.1-166.1 -89.1 136.9 118.2 134.0 21.4 15 18 A L E -C 22 0B 43 7,-2.9 7,-2.0 -2,-0.3 2,-0.5 -0.926 18.2-130.9-120.1 147.4 117.4 132.7 24.9 16 19 A T E +C 21 0B 122 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.865 33.6 169.4 -96.7 125.5 114.6 133.8 27.2 17 20 A V E > -C 20 0B 5 3,-2.0 3,-1.2 -2,-0.5 -2,-0.0 -0.935 63.4 -23.7-143.7 115.2 115.9 134.4 30.8 18 21 A F T 3 S- 0 0 41 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.890 124.4 -49.5 52.0 48.3 114.0 136.1 33.6 19 22 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.685 129.2 80.7 68.0 16.8 111.6 138.0 31.3 20 23 A G E < S-C 17 0B 16 -3,-1.2 -3,-2.0 2,-0.0 2,-0.4 -0.622 78.7 -99.8-133.7-165.2 114.5 139.3 29.3 21 24 A T E -C 16 0B 52 77,-0.5 77,-1.4 -5,-0.2 2,-0.4 -0.983 21.3-173.9-132.4 136.8 116.9 138.0 26.6 22 25 A V E -CD 15 97B 0 -7,-2.0 -7,-2.9 -2,-0.4 2,-0.5 -0.979 20.1-139.1-121.4 139.0 120.4 136.6 26.4 23 26 A T E -CD 14 96B 13 73,-2.9 73,-2.6 -2,-0.4 2,-0.4 -0.885 21.8-164.6 -99.4 125.1 122.2 135.9 23.1 24 27 A A E -CD 13 95B 0 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.6 -0.915 18.1-170.4-116.9 133.2 124.2 132.6 23.1 25 28 A F E - D 0 94B 3 69,-3.0 69,-2.7 -2,-0.4 2,-0.5 -0.930 19.6-173.8-117.5 101.4 126.9 131.4 20.7 26 29 A L E +eD 56 93B 18 29,-2.0 31,-1.2 -2,-0.6 67,-0.2 -0.860 58.4 13.5-102.6 125.3 127.5 127.8 21.6 27 30 A G E + 0 0 5 65,-0.5 66,-0.2 -2,-0.5 -1,-0.2 0.883 66.0 168.9 86.3 42.3 130.3 125.8 19.9 28 31 A I E - D 0 92B 0 64,-2.9 64,-2.5 -3,-0.3 -1,-0.2 -0.751 34.1-127.1 -83.2 126.6 132.6 128.3 18.2 29 32 A P E + D 0 91B 10 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.447 29.0 176.9 -71.3 146.8 135.9 126.6 17.1 30 33 A Y + 0 0 8 60,-1.5 2,-0.3 1,-0.2 16,-0.3 0.312 61.6 24.3-130.2 2.7 139.1 128.3 18.2 31 34 A A S S- 0 0 2 59,-0.7 -1,-0.2 14,-0.1 14,-0.2 -0.990 89.2 -79.3-158.4 164.4 141.7 125.9 16.9 32 35 A Q - 0 0 66 12,-2.5 12,-0.4 -2,-0.3 14,-0.1 -0.501 61.3 -99.8 -61.9 130.8 142.6 123.3 14.3 33 36 A P - 0 0 42 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.399 35.2-128.7 -53.3 126.2 141.0 119.9 15.3 34 37 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.468 58.3 138.0 -86.6 69.7 144.1 118.1 16.9 35 38 A L > - 0 0 78 -2,-1.9 3,-2.6 3,-0.1 2,-0.2 -0.683 54.2 -8.2-113.7 162.1 143.7 114.9 14.9 36 39 A G G > S+ 0 0 49 1,-0.3 3,-1.3 -2,-0.2 0, 0.0 -0.342 139.0 6.9 58.6-120.5 146.1 112.5 13.1 37 40 A R G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -2,-0.2 225,-0.0 0.693 130.1 63.1 -64.0 -19.3 149.6 114.1 13.0 38 41 A L G X S+ 0 0 19 -3,-2.6 3,-1.8 -5,-0.1 -1,-0.2 0.583 73.2 115.2 -84.5 -10.6 148.2 116.9 15.3 39 42 A R T < S+ 0 0 13 -3,-1.3 -4,-0.1 1,-0.3 3,-0.1 -0.421 85.7 11.6 -63.4 133.4 147.4 114.5 18.2 40 43 A F T 3 S+ 0 0 1 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.274 106.7 112.4 79.7 -8.4 149.6 115.4 21.3 41 44 A K S < S- 0 0 17 -3,-1.8 -1,-0.3 118,-0.1 117,-0.1 -0.558 80.2 -86.5 -90.6 161.1 150.9 118.6 19.8 42 45 A K - 0 0 76 115,-0.4 -1,-0.1 -2,-0.2 2,-0.1 -0.218 62.8 -85.2 -52.2 150.9 150.2 122.2 20.8 43 46 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.446 45.6-136.3 -66.1 136.8 147.0 123.5 19.3 44 47 A Q - 0 0 79 -12,-0.4 -12,-2.5 -2,-0.1 -6,-0.0 -0.706 26.7 -94.7 -96.2 148.8 147.5 125.0 15.8 45 48 A S - 0 0 83 -2,-0.3 -14,-0.1 -14,-0.2 -1,-0.1 -0.124 47.1 -99.6 -61.9 157.1 145.9 128.3 14.7 46 49 A L - 0 0 33 -16,-0.3 -1,-0.1 1,-0.1 -14,-0.1 -0.339 22.8-127.6 -84.3 159.6 142.6 128.2 12.8 47 50 A T - 0 0 71 -2,-0.1 2,-0.2 -16,-0.1 -1,-0.1 0.851 34.8-106.7 -64.4-115.3 142.0 128.5 9.1 48 51 A K - 0 0 171 -41,-0.0 2,-0.3 0, 0.0 -40,-0.2 -0.551 27.7-150.4 174.6 121.1 139.5 131.2 7.9 49 52 A W - 0 0 43 -42,-3.4 -40,-0.3 -2,-0.2 4,-0.1 -0.824 10.8-157.5-112.1 151.2 136.0 130.5 6.6 50 53 A S S S+ 0 0 126 -2,-0.3 -1,-0.1 -42,-0.1 -42,-0.1 0.630 72.9 59.9-100.2 -20.0 133.9 132.4 4.1 51 54 A D S S- 0 0 109 1,-0.1 -42,-0.8 -42,-0.0 2,-0.5 -0.149 97.5 -75.2 -95.8-165.9 130.4 131.3 5.0 52 55 A I E -b 9 0A 60 -44,-0.1 2,-0.6 -2,-0.1 -42,-0.2 -0.858 38.0-141.5-100.2 123.0 128.4 131.6 8.3 53 56 A W E -b 10 0A 85 -44,-3.3 -42,-2.9 -2,-0.5 2,-0.8 -0.730 14.6-135.2 -84.0 121.6 129.2 129.3 11.2 54 57 A N E +b 11 0A 97 -2,-0.6 2,-0.5 -44,-0.2 3,-0.2 -0.658 25.2 177.4 -77.7 110.5 126.2 128.0 13.1 55 58 A A + 0 0 0 -44,-2.6 -29,-2.0 -2,-0.8 -42,-0.2 -0.564 40.2 118.1-109.9 66.6 127.0 128.3 16.8 56 59 A T B +e 26 0B 58 -2,-0.5 2,-0.3 -31,-0.2 -1,-0.1 0.119 66.7 39.9-123.5 16.8 123.6 127.2 18.1 57 60 A K S S- 0 0 160 -31,-1.2 -1,-0.1 -3,-0.2 0, 0.0 -0.960 89.0 -90.8-163.1 147.2 124.5 124.0 20.1 58 61 A Y - 0 0 50 -2,-0.3 2,-0.1 63,-0.1 3,-0.1 -0.292 47.2-130.4 -56.5 144.9 127.2 122.8 22.4 59 62 A A - 0 0 22 1,-0.2 62,-0.1 30,-0.1 30,-0.1 -0.352 39.0 -61.4 -91.2 176.3 130.1 121.1 20.6 60 63 A N - 0 0 47 28,-0.3 2,-0.2 -2,-0.1 25,-0.2 -0.214 50.9-127.1 -50.7 144.9 131.7 117.7 21.3 61 64 A S E -n 85 0C 0 23,-2.7 25,-1.9 22,-0.2 58,-0.1 -0.661 36.7 -92.9 -89.8 154.0 133.4 117.2 24.7 62 65 A a E -n 86 0C 3 56,-0.3 25,-0.2 -2,-0.2 56,-0.1 -0.322 52.6 -83.3 -69.6 150.9 137.1 116.0 24.7 63 66 A C + 0 0 12 23,-0.5 82,-0.4 22,-0.1 2,-0.3 -0.229 68.4 145.5 -52.1 137.2 137.8 112.3 24.9 64 67 A Q - 0 0 4 -3,-0.1 2,-0.1 80,-0.1 53,-0.1 -0.973 51.2 -95.7-169.0 154.2 137.8 111.1 28.6 65 68 A N - 0 0 65 51,-0.5 2,-0.3 -2,-0.3 206,-0.0 -0.481 43.7-134.0 -72.7 151.9 137.0 108.2 30.9 66 69 A I - 0 0 65 -2,-0.1 2,-0.7 14,-0.1 11,-0.1 -0.794 16.5-107.6-111.8 150.2 133.6 108.5 32.6 67 70 A D + 0 0 44 -2,-0.3 3,-0.1 9,-0.2 13,-0.1 -0.710 42.3 164.5 -75.1 112.8 132.5 108.0 36.2 68 71 A Q + 0 0 156 -2,-0.7 -1,-0.1 1,-0.1 9,-0.0 0.179 42.6 105.7-113.4 13.6 130.6 104.6 36.3 69 72 A S S S+ 0 0 68 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.804 91.1 24.3 -68.2 -29.9 130.7 104.1 40.1 70 73 A F S > S- 0 0 39 -3,-0.1 3,-2.0 3,-0.1 7,-0.3 -0.506 78.7-164.0-135.9 68.5 127.0 105.0 40.7 71 74 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.212 78.8 18.4 -52.7 138.4 124.9 104.4 37.5 72 75 A G T 3 S+ 0 0 71 1,-0.2 2,-0.6 2,-0.0 0, 0.0 0.372 96.6 121.0 82.2 -3.8 121.5 106.1 37.6 73 76 A F X> - 0 0 30 -3,-2.0 4,-2.6 1,-0.1 3,-1.0 -0.846 53.4-154.9-102.9 119.0 122.6 108.5 40.4 74 77 A H H 3> S+ 0 0 123 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.756 87.8 70.0 -61.1 -27.5 122.4 112.2 39.7 75 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.848 116.6 20.6 -63.7 -35.6 125.1 113.0 42.3 76 79 A S H X4 S+ 0 0 1 -3,-1.0 3,-1.6 -6,-0.3 4,-0.5 0.807 121.1 58.8 -97.0 -40.7 127.9 111.5 40.2 77 80 A E H >< S+ 0 0 84 -4,-2.6 3,-1.0 -7,-0.3 -3,-0.2 0.768 89.7 71.9 -67.0 -24.4 126.2 111.5 36.7 78 81 A M T 3< S+ 0 0 30 -4,-1.9 -1,-0.3 1,-0.2 46,-0.2 0.705 99.0 50.2 -61.8 -19.9 125.7 115.3 36.7 79 82 A W T < S+ 0 0 62 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.608 89.5 99.9 -93.9 -17.2 129.6 115.7 36.3 80 83 A N S < S- 0 0 30 -3,-1.0 -14,-0.1 -4,-0.5 39,-0.1 -0.378 91.3 -82.8 -67.1 149.8 129.7 113.2 33.3 81 84 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.206 33.6-163.2 -54.8 138.6 129.9 114.7 29.8 82 85 A N S S+ 0 0 86 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.076 70.3 57.0-110.7 24.7 126.5 115.6 28.3 83 86 A T S S- 0 0 36 0, 0.0 -22,-0.2 0, 0.0 -24,-0.1 -0.977 101.1 -72.2-151.1 150.3 127.7 115.8 24.7 84 87 A D - 0 0 128 -2,-0.3 -23,-2.7 -24,-0.1 2,-0.3 -0.102 48.4-123.1 -45.6 141.6 129.5 113.4 22.3 85 88 A L E +n 61 0C 70 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.709 45.6 148.0 -86.4 141.0 133.1 112.6 23.0 86 89 A S E -n 62 0C 33 -25,-1.9 -23,-0.5 -2,-0.3 0, 0.0 -0.969 58.4-123.4-166.3 152.7 135.6 113.3 20.2 87 90 A E S S+ 0 0 32 -2,-0.3 2,-1.8 1,-0.2 3,-0.2 0.748 105.3 79.4 -70.4 -21.1 139.2 114.4 19.6 88 91 A D + 0 0 43 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.629 62.4 116.9 -83.0 80.4 137.5 117.1 17.6 89 92 A a + 0 0 1 -2,-1.8 2,-1.7 -30,-0.1 -27,-0.2 0.259 18.7 122.4-136.6 11.4 136.7 119.1 20.7 90 93 A L + 0 0 2 -3,-0.2 -60,-1.5 -59,-0.1 -59,-0.7 -0.591 45.8 124.4 -85.7 85.2 138.5 122.5 20.6 91 94 A Y E -D 29 0B 27 -2,-1.7 51,-2.9 -62,-0.2 2,-0.3 -0.927 41.1-155.9-140.5 157.4 135.5 124.8 20.9 92 95 A L E -DF 28 141B 0 -64,-2.5 -64,-2.9 -2,-0.3 -65,-0.5 -0.896 8.7-136.9-135.1 166.6 134.3 127.6 23.1 93 96 A N E -DF 26 140B 4 47,-3.2 47,-1.7 -2,-0.3 2,-0.4 -0.923 10.3-162.5-125.9 148.2 131.0 129.3 24.1 94 97 A V E -DF 25 139B 0 -69,-2.7 -69,-3.0 -2,-0.3 2,-0.5 -0.991 2.6-168.2-136.1 126.6 129.9 132.9 24.5 95 98 A W E -DF 24 138B 3 43,-2.7 43,-1.8 -2,-0.4 -71,-0.2 -0.963 14.0-176.3-112.9 135.3 126.9 134.4 26.4 96 99 A I E -D 23 0B 7 -73,-2.6 -73,-2.9 -2,-0.5 41,-0.1 -0.972 25.8-112.0-134.9 139.1 126.1 138.0 25.8 97 100 A P E -D 22 0B 4 0, 0.0 -75,-0.2 0, 0.0 35,-0.1 -0.343 40.8-104.5 -63.4 148.9 123.5 140.4 27.3 98 101 A A S S+ 0 0 33 -77,-1.4 -77,-0.5 2,-0.1 2,-0.2 -0.992 108.1 47.2-116.1 131.7 120.6 141.7 25.2 99 102 A P S S- 0 0 102 0, 0.0 -76,-0.0 0, 0.0 -1,-0.0 0.566 115.9-102.0 -67.9 152.5 120.6 144.4 24.2 100 103 A K - 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