==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 13-NOV-12 4HY6 . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.YANG,J.LI,J.H.HE . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 76.0 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 . 41 19.7 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 . 1 0.5 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 1 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 1 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 0 2 0 3 0 1 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 17 A V 0 0 112 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 119.7 -8.4 -27.4 -14.5 2 18 A E E -A 156 0A 94 154,-2.5 154,-2.2 2,-0.0 2,-0.4 -0.840 360.0-151.7 -99.3 135.9 -11.2 -24.8 -14.8 3 19 A T E -A 155 0A 98 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.912 15.5-175.5-110.4 133.4 -13.4 -24.7 -17.9 4 20 A F E -A 154 0A 49 150,-3.0 150,-2.3 -2,-0.4 2,-0.4 -0.924 23.9-123.6-126.5 149.1 -15.0 -21.4 -19.0 5 21 A A E -A 153 0A 83 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.754 30.3-122.9 -86.9 136.3 -17.4 -20.3 -21.8 6 22 A F - 0 0 21 146,-2.3 -1,-0.0 -2,-0.4 2,-0.0 -0.441 37.2 -94.1 -64.2 150.8 -16.2 -17.6 -24.1 7 23 A Q > - 0 0 69 1,-0.1 4,-2.3 -2,-0.1 3,-0.4 -0.375 40.8-110.8 -54.3 149.1 -18.4 -14.5 -24.4 8 24 A A H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 116.9 55.5 -54.3 -42.5 -20.7 -15.0 -27.3 9 25 A E H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 109.3 45.4 -61.5 -40.7 -19.0 -12.2 -29.3 10 26 A I H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.882 110.6 52.9 -72.2 -38.8 -15.5 -13.9 -29.0 11 27 A A H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 109.9 50.3 -60.3 -40.8 -17.0 -17.3 -29.9 12 28 A Q H X S+ 0 0 107 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.1 49.8 -61.0 -45.4 -18.5 -15.6 -33.0 13 29 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 109.5 51.0 -60.7 -44.4 -15.1 -14.1 -33.8 14 30 A M H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.926 110.0 49.3 -63.4 -42.4 -13.3 -17.4 -33.5 15 31 A S H X S+ 0 0 63 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.893 110.2 51.9 -62.0 -40.0 -15.8 -19.2 -35.8 16 32 A L H X S+ 0 0 43 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.936 111.6 46.1 -61.3 -46.6 -15.4 -16.4 -38.3 17 33 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.6 43.9 -63.6 -38.0 -11.6 -16.8 -38.3 18 34 A I H < S+ 0 0 62 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.870 122.6 34.9 -74.8 -36.4 -11.9 -20.6 -38.5 19 35 A N H < S+ 0 0 125 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.692 90.2 98.1 -97.5 -22.5 -14.6 -20.7 -41.2 20 36 A T S < S- 0 0 65 -4,-2.3 2,-0.7 -5,-0.3 -4,-0.0 -0.453 76.0-120.9 -72.0 136.3 -14.0 -17.8 -43.6 21 37 A F + 0 0 183 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.713 52.9 148.0 -76.0 118.9 -12.1 -18.5 -46.7 22 38 A Y - 0 0 38 -2,-0.7 3,-0.1 -5,-0.1 -2,-0.0 -0.834 30.8-168.5-158.3 108.9 -9.0 -16.3 -46.5 23 39 A S S S+ 0 0 92 -2,-0.3 2,-2.3 1,-0.2 3,-0.3 0.745 71.1 84.3 -78.8 -23.0 -5.7 -17.3 -48.0 24 40 A N > + 0 0 58 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 -0.289 49.0 144.2 -80.2 55.4 -3.4 -14.6 -46.4 25 41 A K T > + 0 0 39 -2,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.693 46.2 85.6 -69.0 -20.7 -3.0 -16.6 -43.2 26 42 A E T >> + 0 0 15 -3,-0.3 3,-1.4 1,-0.3 4,-0.6 0.665 68.4 80.7 -60.9 -17.4 0.6 -15.5 -42.6 27 43 A I H <> S+ 0 0 1 -3,-1.0 4,-2.1 1,-0.3 -1,-0.3 0.665 70.7 82.0 -66.0 -13.7 -0.5 -12.3 -40.8 28 44 A F H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.895 89.5 52.7 -55.4 -39.1 -1.0 -14.3 -37.6 29 45 A L H <> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.908 106.7 50.4 -68.3 -43.2 2.7 -14.0 -36.9 30 46 A R H X S+ 0 0 62 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.905 111.5 50.7 -55.2 -42.8 2.8 -10.2 -37.3 31 47 A E H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.896 111.9 44.6 -66.1 -42.5 -0.2 -10.0 -34.9 32 48 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.881 113.1 50.6 -72.9 -36.7 1.4 -12.2 -32.2 33 49 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.901 109.6 52.2 -64.9 -39.3 4.7 -10.4 -32.5 34 50 A S H X S+ 0 0 45 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.920 108.1 50.7 -60.0 -45.3 2.9 -7.1 -32.1 35 51 A N H X S+ 0 0 59 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 111.3 49.1 -56.4 -44.0 1.2 -8.4 -29.0 36 52 A S H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 109.0 51.6 -62.8 -46.2 4.6 -9.4 -27.6 37 53 A S H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.904 109.6 50.5 -57.0 -43.8 6.1 -6.0 -28.4 38 54 A D H X S+ 0 0 92 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.900 110.3 49.4 -61.4 -41.6 3.2 -4.3 -26.6 39 55 A A H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 41,-1.5 0.854 111.7 48.8 -67.1 -36.2 3.7 -6.6 -23.5 40 56 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 39,-0.3 -2,-0.2 0.903 108.2 54.2 -69.5 -41.9 7.5 -5.8 -23.6 41 57 A D H X S+ 0 0 60 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.908 108.1 52.3 -54.2 -42.9 6.7 -2.0 -23.8 42 58 A K H X S+ 0 0 117 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 110.9 42.2 -66.1 -49.1 4.5 -2.4 -20.7 43 59 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.896 113.7 54.6 -66.2 -36.6 7.1 -4.0 -18.4 44 60 A R H X S+ 0 0 119 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.942 110.9 45.0 -60.4 -45.8 9.8 -1.7 -19.7 45 61 A Y H >X S+ 0 0 170 -4,-2.5 3,-1.3 1,-0.2 4,-0.6 0.938 113.2 49.5 -64.0 -45.4 7.7 1.4 -18.8 46 62 A E H >X S+ 0 0 44 -4,-2.4 4,-1.7 1,-0.3 3,-0.9 0.855 104.0 60.9 -63.6 -32.9 6.7 0.0 -15.4 47 63 A S H 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.699 89.6 71.4 -68.9 -18.5 10.3 -0.8 -14.6 48 64 A L H << S+ 0 0 131 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.849 111.8 27.4 -67.2 -34.0 11.2 2.9 -15.0 49 65 A T H << S+ 0 0 123 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.670 135.2 33.3 -98.9 -21.5 9.4 3.8 -11.7 50 66 A D >< - 0 0 64 -4,-1.7 3,-2.0 1,-0.1 -1,-0.2 -0.741 63.1-179.9-135.5 87.1 9.9 0.3 -10.1 51 67 A P G > S+ 0 0 92 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.711 76.3 73.6 -58.7 -23.3 13.2 -1.3 -11.1 52 68 A S G > S+ 0 0 60 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.629 75.9 79.4 -70.1 -11.2 12.4 -4.4 -9.0 53 69 A K G < S+ 0 0 54 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.672 89.4 56.8 -68.7 -12.8 9.8 -5.4 -11.6 54 70 A L G X S+ 0 0 32 -3,-1.8 3,-2.3 1,-0.2 -1,-0.3 0.371 73.6 98.0 -98.2 4.9 12.8 -6.7 -13.5 55 71 A D T < S+ 0 0 134 -3,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.794 80.4 59.8 -58.7 -25.7 13.9 -9.0 -10.7 56 72 A S T 3 S- 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.283 133.5 -33.7 -87.5 8.9 12.1 -11.7 -12.7 57 73 A G < - 0 0 30 -3,-2.3 -1,-0.3 108,-0.1 -2,-0.1 -0.002 44.2-153.3 138.8 121.4 14.3 -11.1 -15.7 58 74 A K + 0 0 173 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.755 69.1 96.0 -83.8 -26.5 16.0 -8.1 -17.2 59 75 A E - 0 0 121 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.488 56.4-161.7 -75.4 131.5 16.2 -9.2 -20.8 60 76 A L + 0 0 31 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.934 37.3 117.1-115.6 108.7 13.4 -8.0 -23.1 61 77 A H - 0 0 27 -2,-0.6 17,-1.5 139,-0.2 2,-0.4 -0.942 53.1-117.6-161.4 176.0 13.1 -10.1 -26.2 62 78 A I E -Bc 77 202A 0 139,-2.5 141,-2.6 -2,-0.3 2,-0.4 -0.996 19.7-164.6-130.4 130.0 11.0 -12.4 -28.4 63 79 A N E -Bc 76 203A 23 13,-2.6 13,-3.0 -2,-0.4 2,-0.5 -0.948 6.1-157.3-114.3 139.2 11.9 -16.0 -29.4 64 80 A L E -Bc 75 204A 0 139,-2.9 141,-2.7 -2,-0.4 11,-0.2 -0.975 15.6-174.6-114.2 119.6 10.3 -17.9 -32.2 65 81 A I E -B 74 0A 51 9,-2.8 9,-2.5 -2,-0.5 2,-0.3 -0.913 6.9-167.1-125.0 105.4 10.6 -21.7 -31.7 66 82 A P E -B 73 0A 9 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.674 2.7-173.2 -86.7 145.0 9.4 -24.2 -34.4 67 83 A N E >> -B 72 0A 39 5,-2.5 5,-2.0 -2,-0.3 4,-1.1 -0.860 9.8-175.6-140.0 103.5 9.1 -27.8 -33.4 68 84 A K T 45S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.818 84.5 59.7 -70.9 -30.9 8.3 -30.2 -36.3 69 85 A Q T 45S+ 0 0 147 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.899 118.7 28.8 -61.9 -42.3 8.1 -33.2 -34.0 70 86 A D T 45S- 0 0 105 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.526 104.5-128.1 -93.4 -8.2 5.2 -31.6 -32.0 71 87 A R T <5 + 0 0 78 -4,-1.1 103,-2.0 1,-0.2 2,-0.4 0.925 63.3 136.6 54.8 48.0 4.0 -29.6 -35.0 72 88 A T E < -BD 67 173A 12 -5,-2.0 -5,-2.5 101,-0.2 2,-0.5 -0.942 46.3-160.5-123.8 145.1 4.1 -26.4 -32.9 73 89 A L E -BD 66 172A 2 99,-1.9 99,-2.8 -2,-0.4 2,-0.5 -0.996 20.6-161.9-117.4 123.5 5.3 -22.9 -33.4 74 90 A T E -BD 65 171A 18 -9,-2.5 -9,-2.8 -2,-0.5 2,-0.6 -0.895 11.2-161.4-110.6 130.0 5.9 -21.1 -30.1 75 91 A I E -BD 64 170A 0 95,-2.6 95,-2.8 -2,-0.5 2,-0.4 -0.955 17.6-172.9-108.3 114.6 6.1 -17.3 -29.7 76 92 A V E +BD 63 169A 22 -13,-3.0 -13,-2.6 -2,-0.6 2,-0.3 -0.908 7.7 173.0-111.0 131.9 7.9 -16.5 -26.4 77 93 A D E -BD 62 168A 6 91,-2.7 91,-1.6 -2,-0.4 -15,-0.2 -0.957 33.6-141.2-130.8 158.4 8.3 -13.0 -24.9 78 94 A T + 0 0 26 -17,-1.5 89,-0.2 -2,-0.3 -16,-0.1 -0.210 60.1 133.2-105.0 40.9 9.6 -11.7 -21.6 79 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.155 77.9 -68.1 -74.0-163.0 6.9 -9.0 -21.4 80 96 A I - 0 0 17 -41,-1.5 59,-0.6 1,-0.1 87,-0.2 0.752 70.0-148.3 -66.3 -24.8 4.7 -8.1 -18.5 81 97 A G - 0 0 4 85,-0.2 2,-0.4 57,-0.2 57,-0.2 -0.127 16.7 -82.0 78.1 177.7 2.7 -11.4 -18.6 82 98 A M - 0 0 40 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.964 27.9-137.3-127.0 139.5 -0.9 -11.9 -17.7 83 99 A T > - 0 0 29 -2,-0.4 4,-2.0 54,-0.1 5,-0.2 -0.342 36.1-103.5 -79.4 168.8 -2.7 -12.4 -14.4 84 100 A K H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.905 125.7 53.9 -58.4 -40.4 -5.4 -15.0 -13.9 85 101 A A H >>S+ 0 0 46 1,-0.2 5,-2.6 2,-0.2 4,-2.3 0.858 105.9 53.0 -62.8 -36.6 -7.9 -12.1 -14.0 86 102 A D H 4>S+ 0 0 36 3,-0.2 5,-1.6 4,-0.2 6,-0.5 0.936 111.2 46.5 -60.1 -47.8 -6.4 -11.1 -17.4 87 103 A L H <5S+ 0 0 17 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.851 124.0 30.2 -64.4 -38.5 -6.9 -14.6 -18.8 88 104 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.878 137.8 -6.0 -93.1 -42.5 -10.4 -15.1 -17.6 89 105 A N T X5S+ 0 0 103 -4,-2.3 4,-2.2 -5,-0.3 -3,-0.2 0.777 113.6 61.3-121.7 -55.1 -12.1 -11.7 -17.5 90 106 A N H > S+ 0 0 20 -6,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.852 108.2 53.2 -64.7 -35.5 -12.1 -10.7 -23.0 93 109 A T H >X S+ 0 0 87 -4,-2.2 3,-0.7 2,-0.2 4,-0.6 0.942 112.0 43.2 -64.4 -47.3 -14.0 -7.7 -21.6 94 110 A I H 3X S+ 0 0 117 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.860 111.3 57.6 -66.1 -32.6 -11.8 -5.3 -23.5 95 111 A A H 3X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.689 88.7 75.4 -71.8 -20.7 -12.0 -7.5 -26.6 96 112 A K H S+ 0 0 23 -4,-2.6 5,-2.7 1,-0.2 3,-0.4 0.903 107.4 52.9 -60.5 -42.9 -15.8 -3.4 -40.5 106 122 A L H ><5S+ 0 0 35 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.917 107.3 51.3 -59.4 -43.8 -15.7 -6.7 -42.3 107 123 A Q H 3<5S+ 0 0 177 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.782 108.9 53.7 -61.8 -26.9 -19.3 -6.3 -43.3 108 124 A A T 3<5S- 0 0 88 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.362 135.1 -82.5 -92.5 3.5 -18.3 -2.9 -44.6 109 125 A G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.446 84.3 134.1 112.3 1.3 -15.5 -4.2 -46.8 110 126 A A < - 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