==== 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 CHAPERONE 21-JUN-10 2XHX . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWA . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0.0 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 . 1 0.5 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 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 11 A P 0 0 159 0, 0.0 2,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.6 37.9 1.6 32.4 2 12 A M - 0 0 193 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.626 360.0-139.1 -72.1 80.3 36.7 4.9 31.0 3 13 A E - 0 0 161 -2,-2.1 2,-1.1 1,-0.1 -1,-0.0 -0.220 6.9-141.0 -47.9 124.6 35.1 3.0 28.2 4 14 A E - 0 0 194 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.793 25.4-177.2 -96.3 91.7 35.7 4.9 25.0 5 15 A E - 0 0 88 -2,-1.1 2,-0.5 158,-0.0 160,-0.1 -0.672 21.4-129.1 -87.5 146.6 32.4 4.6 23.0 6 16 A E + 0 0 110 158,-0.3 158,-1.6 -2,-0.3 2,-0.4 -0.845 25.7 179.6 -99.0 131.6 32.2 6.2 19.6 7 17 A V E -A 163 0A 71 -2,-0.5 2,-0.6 156,-0.2 156,-0.2 -0.959 8.1-167.0-136.0 116.1 29.2 8.4 18.7 8 18 A E E -A 162 0A 36 154,-0.9 154,-1.1 -2,-0.4 2,-0.3 -0.903 12.8-148.7-104.1 117.9 28.8 10.1 15.3 9 19 A T E -A 161 0A 95 -2,-0.6 2,-0.3 152,-0.2 152,-0.2 -0.632 21.1-175.5 -88.3 145.8 26.2 12.8 15.1 10 20 A F E -A 160 0A 55 150,-1.6 150,-0.8 -2,-0.3 2,-0.5 -0.870 25.5-123.0-139.5 165.7 24.3 13.4 11.8 11 21 A A E -A 159 0A 72 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.969 29.0-125.3-116.8 118.7 21.8 15.6 9.9 12 22 A F - 0 0 9 146,-1.7 2,-2.0 -2,-0.5 87,-0.2 -0.234 47.8 -87.1 -52.7 149.4 18.6 14.1 8.4 13 23 A Q > - 0 0 40 85,-2.0 2,-2.8 87,-0.2 3,-2.4 -0.411 44.6-109.7 -79.9 82.0 18.4 14.9 4.7 14 24 A A T 3> S+ 0 0 72 -2,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.077 118.3 41.6 44.5 -63.9 16.6 18.3 4.5 15 25 A E H 3> S+ 0 0 59 -2,-2.8 4,-1.4 2,-0.2 -1,-0.3 0.599 109.4 58.0 -88.2 -17.0 13.4 16.7 3.0 16 26 A I H <> S+ 0 0 2 -3,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.853 107.1 49.2 -74.2 -40.6 13.4 13.7 5.4 17 27 A A H > S+ 0 0 25 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.793 107.1 54.7 -73.6 -30.8 13.3 16.1 8.3 18 28 A Q H >X S+ 0 0 103 -4,-0.8 4,-1.4 2,-0.2 3,-0.5 0.978 110.1 48.4 -52.0 -57.1 10.4 18.1 6.7 19 29 A L H 3X S+ 0 0 0 -4,-1.4 4,-0.5 1,-0.3 3,-0.3 0.860 105.6 55.9 -55.6 -45.2 8.5 14.8 6.5 20 30 A M H >X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.3 3,-0.8 0.876 109.5 46.3 -60.8 -38.4 9.2 13.8 10.1 21 31 A S H + 0 0 49 -2,-0.1 3,-0.6 87,-0.1 -1,-0.2 0.887 64.5 150.7 71.1 40.0 -4.9 4.9 10.9 31 41 A K G > + 0 0 32 -3,-0.4 3,-1.5 1,-0.2 4,-0.2 0.696 51.6 88.8 -75.1 -19.9 -1.8 5.4 13.0 32 42 A E G 3 S+ 0 0 31 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.294 70.8 77.0 -56.2 5.4 -1.9 1.7 14.0 33 43 A I G <> + 0 0 0 -3,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.372 59.3 90.1-107.5 -0.9 0.2 0.9 10.9 34 44 A F H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.909 93.8 52.5 -53.4 -34.6 3.6 2.0 12.1 35 45 A L H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.939 102.4 51.7 -68.6 -54.9 3.6 -1.7 13.2 36 46 A R H > S+ 0 0 39 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.829 114.1 48.2 -51.3 -35.8 2.8 -3.3 9.9 37 47 A E H X S+ 0 0 15 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.981 111.2 45.8 -68.5 -58.0 5.7 -1.2 8.4 38 48 A L H X S+ 0 0 12 -4,-2.3 4,-0.8 1,-0.3 -2,-0.2 0.714 117.3 47.6 -62.9 -24.0 8.3 -2.1 11.0 39 49 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.3 0.826 106.4 56.0 -82.4 -38.3 7.2 -5.7 10.7 40 50 A S H X S+ 0 0 29 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.915 107.5 49.9 -58.7 -40.9 7.2 -5.7 6.9 41 51 A N H X S+ 0 0 88 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.879 108.4 51.7 -67.3 -35.3 10.9 -4.6 6.9 42 52 A S H X S+ 0 0 7 -4,-0.8 4,-4.2 -5,-0.2 5,-0.2 0.922 108.4 52.7 -63.3 -42.2 11.8 -7.3 9.3 43 53 A S H X S+ 0 0 15 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.959 111.6 45.0 -54.3 -53.5 10.1 -9.8 6.9 44 54 A D H X S+ 0 0 104 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 114.3 49.8 -57.0 -42.3 12.3 -8.3 4.1 45 55 A A H X S+ 0 0 19 -4,-2.8 4,-1.9 1,-0.2 41,-1.2 0.985 112.2 46.6 -58.0 -58.6 15.3 -8.6 6.5 46 56 A L H X S+ 0 0 0 -4,-4.2 4,-1.7 39,-0.2 -2,-0.2 0.747 111.2 54.8 -55.8 -27.5 14.4 -12.2 7.3 47 57 A D H X S+ 0 0 69 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.936 106.1 49.1 -70.6 -51.2 13.9 -12.9 3.5 48 58 A K H X S+ 0 0 109 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.938 112.5 48.1 -54.0 -53.9 17.4 -11.7 2.4 49 59 A I H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 -1,-0.2 0.924 110.3 51.2 -55.1 -48.5 19.1 -13.8 5.2 50 60 A R H < S+ 0 0 112 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.874 112.2 47.4 -58.4 -39.7 17.1 -16.9 4.3 51 61 A Y H >< S+ 0 0 175 -4,-2.3 3,-1.0 2,-0.2 -1,-0.2 0.900 114.5 45.4 -65.4 -46.0 18.1 -16.4 0.6 52 62 A E H >X S+ 0 0 42 -4,-2.9 4,-1.8 1,-0.2 3,-1.2 0.885 106.8 64.9 -58.7 -37.8 21.7 -15.9 1.7 53 63 A T T 3< S+ 0 0 26 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.513 89.2 64.0 -67.3 -11.0 21.2 -19.0 3.9 54 64 A L T <4 S+ 0 0 122 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.194 113.6 29.5-105.8 18.3 20.7 -21.5 1.1 55 65 A T T <4 S+ 0 0 124 -3,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.445 134.4 28.1-131.5 -48.0 24.2 -21.2 -0.4 56 66 A D >< + 0 0 61 -4,-1.8 3,-0.6 1,-0.1 -1,-0.2 -0.944 60.9 173.9-111.6 104.5 26.1 -20.3 2.7 57 67 A P T 3 S+ 0 0 86 0, 0.0 3,-0.4 0, 0.0 -4,-0.1 0.123 71.4 82.7 -92.8 21.2 24.5 -21.7 5.9 58 68 A S T > S+ 0 0 57 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.539 73.1 80.3 -83.8 -12.3 27.4 -20.5 8.0 59 69 A K T < S+ 0 0 59 -3,-0.6 -1,-0.2 1,-0.3 5,-0.1 0.511 89.1 53.5 -67.7 -5.2 25.4 -17.3 7.8 60 70 A L T 3 S+ 0 0 25 -3,-0.4 3,-0.4 3,-0.1 -1,-0.3 0.018 76.3 99.8-112.4 22.1 23.3 -18.8 10.6 61 71 A D S < S+ 0 0 120 -3,-1.9 2,-0.8 1,-0.4 -2,-0.1 0.947 95.7 32.5 -73.8 -46.5 26.3 -19.5 12.8 62 72 A S S S+ 0 0 66 -4,-0.4 -1,-0.4 109,-0.1 2,-0.2 -0.919 137.2 17.3-101.2 98.7 25.5 -16.4 14.8 63 73 A G + 0 0 32 -2,-0.8 2,-1.6 -3,-0.4 -3,-0.1 -0.670 58.1 166.9 150.8 -92.2 21.6 -16.5 14.4 64 74 A K + 0 0 134 -2,-0.2 2,-0.7 -5,-0.1 -3,-0.1 -0.406 57.4 75.4 80.7 -67.3 19.6 -19.7 13.3 65 75 A E - 0 0 119 -2,-1.6 2,-0.9 -5,-0.0 19,-0.0 -0.764 64.6-152.9 -90.1 119.5 15.9 -19.0 14.0 66 76 A L + 0 0 32 -2,-0.7 2,-0.3 17,-0.1 19,-0.1 -0.816 47.0 119.6 -87.2 105.3 14.2 -16.6 11.5 67 77 A H - 0 0 35 -2,-0.9 17,-1.0 139,-0.2 2,-0.3 -0.952 52.8-121.7-157.9 173.5 11.4 -15.0 13.6 68 78 A I E -Bc 83 208A 0 139,-2.2 141,-1.7 -2,-0.3 2,-0.4 -0.907 17.8-163.6-122.7 150.3 9.9 -11.8 15.0 69 79 A N E -Bc 82 209A 19 13,-2.0 13,-2.2 -2,-0.3 2,-0.5 -0.987 7.7-157.8-135.7 129.5 9.1 -10.7 18.6 70 80 A L E -Bc 81 210A 4 139,-2.9 141,-3.4 -2,-0.4 11,-0.2 -0.922 12.1-172.5-101.5 133.2 6.9 -7.9 19.9 71 81 A I E -B 80 0A 46 9,-2.0 9,-1.1 -2,-0.5 2,-0.1 -0.701 3.9-168.6-131.2 75.2 7.7 -6.8 23.4 72 82 A P E -B 79 0A 4 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.477 9.8-169.8 -61.1 138.1 5.3 -4.4 25.1 73 83 A N E >> -B 78 0A 30 5,-1.8 5,-1.7 -2,-0.1 4,-1.0 -0.884 17.9-171.7-140.8 101.6 6.8 -3.0 28.3 74 84 A K T 45S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.584 82.7 64.2 -79.2 -7.3 4.7 -0.9 30.7 75 85 A Q T 45S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.937 117.4 24.9 -73.2 -49.8 7.7 0.1 32.8 76 86 A D T 45S- 0 0 88 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.505 101.0-125.5 -89.8 -7.8 9.5 2.1 30.1 77 87 A R T <5 + 0 0 87 -4,-1.0 103,-1.1 1,-0.2 2,-0.4 0.955 67.5 140.9 47.9 50.7 6.3 2.8 28.2 78 88 A T E < -BD 73 179A 3 -5,-1.7 -5,-1.8 101,-0.2 2,-0.4 -0.950 45.4-158.2-121.5 144.2 8.3 1.2 25.3 79 89 A L E -BD 72 178A 3 99,-2.1 99,-1.2 -2,-0.4 2,-0.4 -0.993 18.3-163.5-119.5 120.9 7.2 -1.1 22.5 80 90 A T E -BD 71 177A 16 -9,-1.1 -9,-2.0 -2,-0.4 2,-0.6 -0.904 12.4-163.4-117.0 129.8 10.1 -3.1 20.9 81 91 A I E -BD 70 176A 1 95,-2.5 95,-2.2 -2,-0.4 2,-0.4 -0.904 18.0-178.5-112.4 105.5 10.1 -5.1 17.6 82 92 A V E +BD 69 175A 22 -13,-2.2 -13,-2.0 -2,-0.6 2,-0.3 -0.876 6.5 171.9-111.1 132.4 13.0 -7.6 17.3 83 93 A D E -B 68 0A 2 91,-2.1 -15,-0.2 -2,-0.4 89,-0.1 -0.781 29.7-143.3-119.9 174.0 14.0 -9.9 14.4 84 94 A T + 0 0 26 -17,-1.0 89,-0.2 -2,-0.3 2,-0.1 -0.342 60.7 115.5-131.5 53.0 16.9 -12.2 13.7 85 95 A G S S- 0 0 0 -19,-0.1 -39,-0.2 89,-0.1 -40,-0.1 -0.132 84.6 -54.1 -99.1-156.7 17.2 -11.6 9.9 86 96 A I - 0 0 21 -41,-1.2 87,-0.4 -44,-0.2 59,-0.3 0.852 68.3-166.9 -60.5 -46.6 20.1 -10.1 7.9 87 97 A G - 0 0 4 85,-0.2 2,-0.4 57,-0.1 57,-0.2 -0.201 20.9 -76.3 79.0-177.2 20.5 -6.7 9.7 88 98 A M - 0 0 33 62,-0.1 56,-0.1 56,-0.1 54,-0.1 -0.912 23.4-139.4-130.8 141.1 22.5 -3.7 8.6 89 99 A T > - 0 0 28 -2,-0.4 4,-2.7 54,-0.1 5,-0.2 -0.157 47.4 -91.5 -79.3-174.7 26.2 -2.5 8.4 90 100 A K H > S+ 0 0 63 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.943 130.3 49.6 -67.1 -46.7 27.1 1.1 9.3 91 101 A A H > S+ 0 0 50 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.976 111.9 50.3 -52.6 -55.0 26.7 2.2 5.6 92 102 A D H > S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.928 114.6 42.2 -46.4 -60.8 23.3 0.5 5.6 93 103 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.931 117.6 46.5 -52.1 -55.0 22.2 2.2 8.9 94 104 A I H <>S+ 0 0 27 -4,-3.3 5,-1.6 2,-0.2 6,-0.4 0.976 121.6 36.8 -52.8 -58.8 23.6 5.6 7.8 95 105 A N H ><>S+ 0 0 70 -4,-3.5 5,-0.6 -5,-0.3 3,-0.6 0.923 121.3 41.7 -64.2 -52.5 22.1 5.5 4.3 96 106 A N H 3<5S+ 0 0 82 -4,-3.1 2,-0.4 -5,-0.4 -1,-0.2 0.814 116.2 52.1 -68.9 -31.0 18.8 3.8 4.9 97 107 A L T 3<5S- 0 0 13 -4,-2.0 -1,-0.3 -5,-0.5 -2,-0.1 -0.568 126.4 -56.1-115.0 66.0 18.1 5.8 8.1 98 108 A G T < 5S+ 0 0 1 -3,-0.6 -85,-2.0 -2,-0.4 -82,-0.2 -0.238 104.1 88.0 123.0 -40.8 18.5 9.5 7.4 99 109 A T T S+ 0 0 10 20,-0.2 4,-2.5 1,-0.2 5,-0.2 0.523 80.2 95.4 -90.7 -6.3 9.7 9.1 -2.6 105 115 A T H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.902 93.0 37.3 -53.4 -51.8 9.9 11.8 0.1 106 116 A K H > S+ 0 0 127 -4,-0.3 4,-2.0 2,-0.2 5,-0.3 0.961 113.3 56.1 -65.9 -54.0 8.5 14.6 -2.0 107 117 A A H > S+ 0 0 51 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.856 113.9 43.1 -42.6 -44.8 6.1 12.5 -4.0 108 118 A F H >X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 3,-0.6 0.905 104.1 59.9 -74.4 -45.0 4.6 11.5 -0.6 109 119 A M H 3X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.872 107.0 49.9 -54.4 -37.0 4.5 14.9 1.1 110 120 A E H 3X S+ 0 0 141 -4,-2.0 4,-0.8 2,-0.2 -1,-0.3 0.831 106.9 57.4 -67.7 -36.2 2.3 16.1 -1.7 111 121 A A H X<>S+ 0 0 18 -4,-0.9 5,-1.8 -3,-0.6 3,-1.4 0.981 109.3 41.0 -55.6 -63.2 0.0 13.0 -1.2 112 122 A L H ><5S+ 0 0 14 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.858 111.9 56.8 -56.8 -39.9 -0.7 13.6 2.5 113 123 A Q H 3<5S+ 0 0 138 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.633 111.4 43.3 -71.3 -16.0 -1.2 17.4 1.9 114 124 A A T <<5S- 0 0 95 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.141 133.6 -86.4-111.8 12.7 -3.9 16.7 -0.7 115 125 A G T < 5 + 0 0 66 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.734 69.7 154.1 98.3 27.5 -5.5 14.0 1.5 116 126 A A < - 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