==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR 29-NOV-08 3FEH . COMPND 2 MOLECULE: CENTAURIN-ALPHA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SHEN,Y.TONG,W.TEMPEL,F.MACKENZIE,C.H.ARROWSMITH,A.M.EDWARD . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0.8 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 1 1 0 0 1 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 2 2 2 5 1 1 2 0 1 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 . 0 1 0 0 0 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 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 N > 0 0 155 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 101.4 50.0 0.1 -62.0 2 -2 A L H > + 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.720 360.0 58.4 -69.8 -23.7 47.2 2.3 -60.6 3 -1 A Y H > S+ 0 0 164 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 108.5 44.6 -67.3 -48.4 44.8 -0.6 -60.6 4 0 A F H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.922 111.8 55.3 -61.5 -40.6 47.2 -2.5 -58.4 5 1 A Q H X S+ 0 0 101 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.939 111.9 42.0 -56.6 -47.0 47.5 0.7 -56.3 6 2 A G H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 113.5 52.4 -69.5 -38.8 43.7 0.9 -55.8 7 3 A K H X S+ 0 0 53 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.897 107.7 51.8 -63.9 -43.1 43.4 -2.8 -55.2 8 4 A E H X S+ 0 0 57 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.864 108.9 50.1 -64.7 -37.6 46.1 -2.7 -52.5 9 5 A R H X S+ 0 0 57 -4,-1.5 4,-1.6 -5,-0.2 5,-0.2 0.925 111.9 49.3 -68.8 -40.9 44.4 0.1 -50.6 10 6 A R H X S+ 0 0 137 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.922 113.7 44.0 -62.4 -44.1 41.1 -1.8 -50.8 11 7 A R H X S+ 0 0 102 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.813 106.9 62.2 -77.9 -19.9 42.6 -5.0 -49.5 12 8 A A H X S+ 0 0 28 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.937 109.3 39.5 -62.6 -49.2 44.6 -3.1 -46.8 13 9 A V H X S+ 0 0 3 -4,-1.6 4,-1.1 1,-0.2 3,-0.3 0.852 114.5 53.4 -74.5 -34.2 41.4 -1.8 -45.1 14 10 A L H X S+ 0 0 26 -4,-1.8 4,-0.9 1,-0.2 3,-0.3 0.892 103.2 58.8 -63.9 -39.2 39.5 -5.1 -45.6 15 11 A E H < S+ 0 0 94 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 96.9 61.0 -65.8 -23.1 42.4 -6.9 -43.9 16 12 A L H >< S+ 0 0 5 -4,-0.7 3,-1.7 -3,-0.3 -1,-0.2 0.918 101.6 51.5 -69.4 -41.8 41.9 -4.8 -40.9 17 13 A L H 3< S+ 0 0 19 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.763 103.8 61.9 -57.2 -26.8 38.3 -6.3 -40.5 18 14 A Q T 3< S+ 0 0 141 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.278 79.5 103.4 -91.8 11.0 40.1 -9.6 -40.8 19 15 A R S X S- 0 0 125 -3,-1.7 3,-1.6 1,-0.1 4,-0.1 -0.764 78.8-128.2 -88.1 140.9 42.0 -9.0 -37.6 20 16 A P G > S+ 0 0 120 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.873 107.5 60.8 -60.5 -30.9 40.6 -11.0 -34.7 21 17 A G G 3 S+ 0 0 16 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 0.726 108.0 45.4 -67.1 -19.2 40.4 -7.8 -32.5 22 18 A N G < S+ 0 0 7 -3,-1.6 -1,-0.3 -6,-0.2 4,-0.1 0.153 79.9 105.8-108.3 15.1 38.0 -6.4 -35.1 23 19 A A S < S+ 0 0 42 -3,-1.7 9,-2.4 9,-0.1 2,-0.3 0.598 80.2 43.3 -78.3 -11.7 35.8 -9.4 -35.5 24 20 A R B S-A 31 0A 161 7,-0.3 19,-0.2 -3,-0.2 6,-0.2 -0.957 102.0 -84.7-133.1 147.0 32.9 -8.0 -33.5 25 21 A C > - 0 0 3 5,-3.2 4,-1.3 -2,-0.3 19,-0.3 -0.299 38.1-130.7 -50.0 135.7 31.3 -4.5 -33.5 26 22 A A T 4 S+ 0 0 8 17,-2.5 -1,-0.2 1,-0.2 18,-0.1 0.743 100.2 33.9 -61.8 -25.6 33.3 -2.3 -31.1 27 23 A D T 4 S+ 0 0 8 16,-0.2 -1,-0.2 3,-0.1 17,-0.1 0.885 132.7 15.5-104.6 -46.3 30.1 -1.2 -29.3 28 24 A C T 4 S- 0 0 11 2,-0.1 -2,-0.1 71,-0.0 75,-0.1 0.500 92.5-121.9-111.7 -12.0 27.5 -4.0 -29.2 29 25 A G < + 0 0 11 -4,-1.3 -3,-0.1 1,-0.3 72,-0.1 0.488 51.8 157.9 87.1 2.6 29.6 -6.9 -30.1 30 26 A A - 0 0 20 -6,-0.2 -5,-3.2 1,-0.1 -1,-0.3 -0.368 45.6-107.6 -57.8 131.7 27.7 -8.0 -33.1 31 27 A P B S+A 24 0A 94 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.231 87.4 18.8 -64.5 154.4 29.9 -10.2 -35.4 32 28 A D S S- 0 0 120 -9,-2.4 -8,-0.2 1,-0.1 -9,-0.1 0.883 74.5-156.5 60.3 56.2 31.3 -9.1 -38.6 33 29 A P - 0 0 3 0, 0.0 12,-0.2 0, 0.0 -1,-0.1 -0.278 12.6-171.5 -62.0 147.4 31.1 -5.3 -38.6 34 30 A D + 0 0 67 10,-0.7 30,-2.5 30,-0.0 31,-0.5 0.438 59.7 67.5-119.7 -9.4 31.0 -3.6 -42.0 35 31 A W E -BC 44 63B 47 9,-2.1 9,-2.0 28,-0.2 2,-0.3 -0.695 59.6-157.1-114.6 167.7 31.3 -0.0 -41.0 36 32 A A E -BC 43 62B 0 26,-1.9 26,-1.9 7,-0.2 2,-0.8 -0.999 21.6-138.9-146.5 139.8 34.0 2.2 -39.5 37 33 A S E >> -BC 42 61B 0 5,-2.3 4,-1.9 -2,-0.3 5,-1.0 -0.932 21.1-167.9 -89.7 110.4 34.4 5.4 -37.5 38 34 A Y T 45S+ 0 0 60 22,-2.2 23,-0.1 -2,-0.8 -1,-0.1 0.582 86.5 49.1 -81.9 -5.8 37.4 6.8 -39.3 39 35 A T T 45S+ 0 0 52 21,-0.8 -1,-0.2 3,-0.1 20,-0.1 0.792 118.9 35.0 -95.7 -34.4 37.7 9.3 -36.5 40 36 A L T 45S- 0 0 18 20,-0.3 -2,-0.2 2,-0.1 41,-0.1 0.633 103.2-129.7 -90.3 -16.6 37.4 7.0 -33.6 41 37 A G T <5 + 0 0 0 -4,-1.9 40,-1.9 1,-0.2 2,-0.3 0.838 60.4 129.7 72.9 33.9 39.2 4.2 -35.3 42 38 A V E < -B 37 0B 0 -5,-1.0 -5,-2.3 38,-0.1 2,-0.5 -0.875 55.3-131.1-122.5 152.6 36.7 1.5 -34.6 43 39 A F E +B 36 0B 0 -2,-0.3 -17,-2.5 -7,-0.2 2,-0.3 -0.905 38.0 169.3-104.1 129.8 34.8 -1.1 -36.6 44 40 A I E -B 35 0B 0 -9,-2.0 -9,-2.1 -2,-0.5 -10,-0.7 -0.883 32.3 -98.0-142.7 159.1 31.1 -1.2 -36.0 45 41 A C > - 0 0 20 -2,-0.3 4,-2.5 -12,-0.2 5,-0.2 -0.267 41.7-102.4 -77.5 169.5 27.8 -2.7 -37.1 46 42 A L H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.934 121.6 50.0 -54.6 -50.9 25.3 -0.9 -39.4 47 43 A S H >> S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.928 111.9 45.4 -58.9 -47.5 23.0 -0.2 -36.4 48 44 A C H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.864 107.4 59.6 -68.2 -31.3 25.8 1.3 -34.3 49 45 A S H 3X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.833 100.2 57.1 -62.4 -29.9 27.0 3.3 -37.3 50 46 A G H << S+ 0 0 33 -4,-1.4 4,-0.3 -3,-0.6 -1,-0.2 0.856 108.8 45.0 -69.3 -34.2 23.6 4.9 -37.4 51 47 A I H >< S+ 0 0 7 -4,-1.0 3,-1.5 -3,-0.3 -2,-0.2 0.885 108.4 57.0 -75.1 -41.5 24.0 6.1 -33.8 52 48 A H H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 7,-0.4 0.857 98.3 61.7 -58.9 -34.6 27.5 7.3 -34.5 53 49 A R T 3< S+ 0 0 124 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.710 95.0 63.1 -64.9 -19.9 26.2 9.5 -37.2 54 50 A N T < S+ 0 0 102 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.247 101.0 51.6 -92.8 7.8 24.2 11.4 -34.6 55 51 A I X> + 0 0 7 -3,-1.8 4,-2.8 4,-0.3 3,-2.6 -0.399 68.3 157.4-130.8 58.7 27.3 12.5 -32.9 56 52 A P T 34 + 0 0 80 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.714 67.0 64.4 -65.5 -20.5 29.0 13.9 -36.0 57 53 A Q T 34 S+ 0 0 107 1,-0.1 3,-0.1 -3,-0.1 -3,-0.0 0.507 119.6 25.9 -76.5 -5.2 31.3 16.2 -34.0 58 54 A V T <4 S+ 0 0 42 -3,-2.6 2,-0.5 1,-0.3 -1,-0.1 0.657 123.7 38.8-119.7 -46.0 32.9 13.0 -32.6 59 55 A S < - 0 0 2 -4,-2.8 2,-0.4 -7,-0.4 -1,-0.3 -0.940 49.5-176.9-126.0 128.9 32.3 10.2 -35.1 60 56 A K - 0 0 103 -2,-0.5 -22,-2.2 -3,-0.1 -21,-0.8 -0.992 20.9-156.7-116.0 130.2 32.5 10.1 -38.9 61 57 A V E +C 37 0B 17 -2,-0.4 2,-0.3 -24,-0.3 -24,-0.2 -0.733 17.6 173.1-115.6 152.0 31.6 6.8 -40.6 62 58 A K E -C 36 0B 36 -26,-1.9 -26,-1.9 -2,-0.3 2,-0.3 -0.972 39.0-104.5-140.5 152.9 32.3 5.0 -43.9 63 59 A S E > -C 35 0B 3 -2,-0.3 4,-1.1 -28,-0.2 -28,-0.2 -0.596 26.1-141.5 -71.9 137.3 31.5 1.6 -45.2 64 60 A V T 4 S+ 0 0 6 -30,-2.5 -1,-0.1 -2,-0.3 -29,-0.1 0.870 98.5 26.1 -70.6 -36.6 34.7 -0.5 -45.2 65 61 A R T 4 S+ 0 0 146 -31,-0.5 -1,-0.2 1,-0.1 -30,-0.1 0.802 127.3 40.3 -95.5 -34.1 33.9 -2.1 -48.5 66 62 A L T 4 S+ 0 0 149 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.443 100.7 71.4-107.9 -6.8 31.6 0.3 -50.3 67 63 A D S < S- 0 0 71 -4,-1.1 2,-0.3 -5,-0.0 -5,-0.1 -0.786 82.5-109.0-106.9 154.6 33.1 3.7 -49.6 68 64 A A - 0 0 85 -2,-0.3 2,-0.4 0, 0.0 -2,-0.1 -0.656 35.4-157.7 -79.8 140.1 36.4 5.2 -50.9 69 65 A W - 0 0 18 -2,-0.3 2,-0.2 -5,-0.1 -60,-0.0 -0.918 11.1-134.6-122.6 144.6 39.2 5.6 -48.5 70 66 A E > - 0 0 120 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.611 29.2-115.5 -90.3 155.3 42.3 7.7 -48.3 71 67 A E H > S+ 0 0 74 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.931 117.4 51.6 -55.4 -46.0 45.7 6.2 -47.4 72 68 A A H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 108.0 51.7 -64.2 -33.1 45.8 8.2 -44.3 73 69 A Q H > S+ 0 0 40 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.929 111.4 46.4 -68.7 -42.2 42.4 7.0 -43.2 74 70 A V H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.941 111.4 53.3 -66.6 -43.5 43.3 3.4 -43.7 75 71 A E H X S+ 0 0 121 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.890 106.1 53.2 -58.5 -38.5 46.5 4.1 -41.8 76 72 A F H X S+ 0 0 65 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.891 108.9 47.8 -66.2 -43.6 44.5 5.5 -38.9 77 73 A M H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.881 111.3 53.1 -58.3 -40.2 42.3 2.4 -38.7 78 74 A A H < S+ 0 0 40 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 111.7 43.5 -70.0 -35.1 45.5 0.3 -38.8 79 75 A S H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.643 128.6 28.1 -82.8 -14.0 47.1 2.2 -36.0 80 76 A H S < S+ 0 0 77 -4,-1.0 4,-0.4 -5,-0.2 3,-0.2 0.318 71.7 138.1-110.9-118.3 43.9 2.1 -34.0 81 77 A G > - 0 0 2 -40,-1.9 4,-1.8 1,-0.2 5,-0.1 -0.442 68.8 -51.7 98.4-175.7 41.1 -0.4 -34.1 82 78 A N H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.903 130.9 49.7 -73.5 -38.7 38.8 -2.1 -31.6 83 79 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.944 112.9 49.5 -62.4 -43.6 41.5 -3.5 -29.3 84 80 A A H > S+ 0 0 40 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.893 109.8 51.0 -62.4 -37.8 43.0 0.0 -29.2 85 81 A A H X>S+ 0 0 5 -4,-1.8 4,-3.6 2,-0.2 5,-0.8 0.858 106.4 54.9 -69.5 -36.3 39.6 1.5 -28.4 86 82 A R H X5S+ 0 0 91 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.916 111.0 44.8 -59.7 -46.1 39.0 -0.9 -25.6 87 83 A A H <5S+ 0 0 70 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.868 124.4 35.1 -68.2 -35.4 42.3 0.2 -24.0 88 84 A R H ><5S+ 0 0 78 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.953 129.9 25.3 -85.4 -55.0 41.5 3.9 -24.6 89 85 A F H 3<5S+ 0 0 16 -4,-3.6 33,-0.3 1,-0.2 -3,-0.2 0.682 128.5 40.4 -93.0 -19.7 37.7 4.3 -24.1 90 86 A E T >< - 0 0 21 0, 0.0 3,-2.1 0, 0.0 -2,-0.0 -0.276 18.2-119.8 -61.7 147.9 33.4 -0.2 -13.4 95 91 A S T 3 S+ 0 0 52 1,-0.3 -2,-0.0 136,-0.0 136,-0.0 0.791 112.9 53.4 -62.5 -25.1 32.6 -3.9 -13.1 96 92 A F T 3 S+ 0 0 12 2,-0.1 -1,-0.3 157,-0.0 2,-0.2 0.551 81.0 114.8 -82.5 -11.6 29.0 -3.2 -12.3 97 93 A Y S < S- 0 0 9 -3,-2.1 2,-0.3 1,-0.1 130,-0.0 -0.434 71.2-120.1 -75.0 127.0 28.5 -1.0 -15.4 98 94 A Y - 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