==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 24-MAR-11 3R92 . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.W.ZAPF,J.D.BLOOM,J.L.MCBEAN,R.G.DUSHIN,J.M.GOLAS,H.LIU,J.L . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 77.4 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.9 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 0 133 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 122.3 8.7 27.3 35.0 2 18 A E E -A 156 0A 94 154,-2.5 154,-2.2 2,-0.0 2,-0.5 -0.863 360.0-151.8-104.4 136.7 11.5 24.6 34.7 3 19 A T E -A 155 0A 96 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.924 15.6-175.7-111.8 131.6 13.6 24.4 31.5 4 20 A F E -A 154 0A 49 150,-3.3 150,-2.4 -2,-0.5 2,-0.4 -0.903 24.0-123.1-125.7 150.7 15.1 21.1 30.4 5 21 A A E -A 153 0A 83 -2,-0.3 148,-0.3 148,-0.2 3,-0.1 -0.761 32.5-119.5 -88.9 136.9 17.5 19.9 27.6 6 22 A F - 0 0 18 146,-2.1 -1,-0.0 -2,-0.4 2,-0.0 -0.380 38.9 -89.3 -64.4 150.3 16.2 17.2 25.3 7 23 A Q >> - 0 0 76 1,-0.1 4,-2.3 -2,-0.1 3,-0.5 -0.374 44.5-113.7 -49.7 140.6 18.1 13.9 25.1 8 24 A A H 3> S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.873 116.1 52.3 -52.0 -42.5 20.7 14.4 22.4 9 25 A E H 3> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 109.0 49.2 -64.4 -38.0 19.0 11.8 20.1 10 26 A I H <> S+ 0 0 2 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.888 108.6 52.8 -71.4 -38.9 15.6 13.5 20.5 11 27 A A H X S+ 0 0 27 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 110.4 49.1 -58.8 -44.8 17.0 16.9 19.6 12 28 A Q H X S+ 0 0 110 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.915 110.6 50.2 -59.5 -45.8 18.6 15.4 16.5 13 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 109.3 51.0 -59.9 -44.6 15.2 13.8 15.6 14 30 A M H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.909 109.8 49.6 -62.5 -41.4 13.4 17.1 16.0 15 31 A S H X S+ 0 0 62 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.901 110.4 51.0 -63.4 -40.2 15.9 18.9 13.8 16 32 A L H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.936 111.5 47.3 -61.4 -46.7 15.5 16.2 11.1 17 33 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.9 43.3 -62.8 -39.8 11.7 16.5 11.2 18 34 A I H < S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.857 122.8 35.8 -73.7 -35.6 11.9 20.3 11.0 19 35 A N H < S+ 0 0 125 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.654 91.0 97.5 -99.7 -18.7 14.6 20.5 8.3 20 36 A T S < S- 0 0 61 -4,-2.3 2,-0.7 -5,-0.2 -4,-0.0 -0.523 76.6-119.9 -76.2 136.5 14.0 17.6 6.0 21 37 A F + 0 0 186 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.677 52.5 148.8 -75.2 115.4 12.0 18.2 2.8 22 38 A Y - 0 0 33 -2,-0.7 3,-0.1 -5,-0.1 -2,-0.0 -0.860 30.0-169.4-155.1 110.7 8.9 16.0 3.1 23 39 A S S S+ 0 0 95 -2,-0.3 2,-2.0 1,-0.2 3,-0.3 0.717 72.2 82.6 -80.0 -21.7 5.6 16.9 1.5 24 40 A N > + 0 0 59 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 -0.291 49.8 141.8 -81.8 54.5 3.4 14.2 3.2 25 41 A K T > + 0 0 35 -2,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.691 45.8 86.4 -70.9 -20.3 3.0 16.2 6.4 26 42 A E T >> + 0 0 17 -3,-0.3 3,-1.5 1,-0.3 4,-0.6 0.696 68.8 79.7 -58.0 -21.0 -0.6 15.1 7.0 27 43 A I H <> S+ 0 0 1 -3,-1.0 4,-1.9 1,-0.3 -1,-0.3 0.658 72.0 81.9 -64.0 -13.2 0.5 11.9 8.7 28 44 A F H <> S+ 0 0 0 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.894 88.4 53.0 -56.6 -39.6 1.1 14.0 11.9 29 45 A L H <> S+ 0 0 2 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.909 106.0 51.9 -67.5 -42.0 -2.6 13.9 12.7 30 46 A R H X S+ 0 0 63 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.905 110.4 49.9 -56.2 -43.4 -2.7 10.1 12.5 31 47 A E H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.907 112.4 45.3 -66.2 -42.7 0.2 9.8 14.9 32 48 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.901 112.9 50.0 -69.7 -41.3 -1.3 12.2 17.5 33 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.881 109.8 52.8 -60.9 -37.9 -4.7 10.5 17.3 34 50 A S H X S+ 0 0 43 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.903 106.4 52.4 -64.0 -41.8 -2.8 7.1 17.7 35 51 A N H X S+ 0 0 60 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.911 111.6 46.7 -58.8 -43.5 -1.1 8.5 20.8 36 52 A S H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.923 110.5 52.0 -64.5 -46.0 -4.5 9.5 22.2 37 53 A S H X S+ 0 0 14 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.907 109.6 50.1 -57.4 -44.0 -6.0 6.1 21.3 38 54 A D H X S+ 0 0 94 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.892 110.6 49.6 -61.8 -40.6 -3.2 4.4 23.2 39 55 A A H X S+ 0 0 20 -4,-1.9 4,-1.8 2,-0.2 41,-1.4 0.845 111.6 48.6 -67.9 -34.6 -3.7 6.6 26.2 40 56 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 39,-0.3 -2,-0.2 0.911 107.9 54.3 -71.7 -43.4 -7.5 5.8 26.2 41 57 A D H X S+ 0 0 62 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.902 108.6 51.9 -51.1 -43.5 -6.7 2.1 25.9 42 58 A K H X S+ 0 0 121 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.926 110.6 42.9 -67.2 -47.4 -4.6 2.4 29.0 43 59 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.878 113.9 53.9 -67.7 -34.0 -7.1 4.1 31.3 44 60 A R H X S+ 0 0 116 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.940 110.3 45.8 -63.3 -47.3 -9.8 1.8 30.0 45 61 A Y H >X S+ 0 0 166 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.931 112.9 49.9 -61.1 -45.7 -7.8 -1.3 30.9 46 62 A E H >X S+ 0 0 43 -4,-2.3 4,-2.0 1,-0.3 3,-1.1 0.843 102.9 61.5 -63.9 -32.7 -6.8 -0.0 34.3 47 63 A S H 3< S+ 0 0 15 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.709 91.1 67.9 -67.9 -21.0 -10.4 0.8 35.1 48 64 A L H << S+ 0 0 133 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.798 111.7 32.4 -68.5 -28.7 -11.4 -2.8 34.8 49 65 A T H << S+ 0 0 122 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.749 136.2 25.6 -95.5 -31.8 -9.3 -3.6 37.9 50 66 A D >< - 0 0 60 -4,-2.0 3,-2.1 1,-0.1 -1,-0.2 -0.763 63.1-176.5-138.1 88.5 -9.9 -0.3 39.7 51 67 A P G > S+ 0 0 92 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.682 78.5 74.2 -59.4 -21.1 -13.2 1.4 38.6 52 68 A S G > S+ 0 0 60 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.663 76.0 79.1 -69.4 -15.1 -12.4 4.5 40.7 53 69 A K G < S+ 0 0 57 -3,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.640 89.8 55.7 -66.3 -12.3 -9.8 5.4 38.1 54 70 A L G X S+ 0 0 28 -3,-1.7 3,-2.1 1,-0.2 -1,-0.3 0.318 74.2 98.1-100.9 5.8 -12.8 6.8 36.1 55 71 A D T < S+ 0 0 131 -3,-1.9 -1,-0.2 1,-0.3 3,-0.2 0.801 79.5 61.0 -59.2 -26.9 -14.0 9.1 38.9 56 72 A S T 3 S- 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.295 133.5 -36.2 -83.6 9.8 -12.1 11.8 37.0 57 73 A G < - 0 0 31 -3,-2.1 -1,-0.3 108,-0.1 -2,-0.1 -0.045 44.1-151.5 135.2 124.7 -14.4 11.2 34.0 58 74 A K + 0 0 163 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.741 68.2 98.3 -90.6 -25.3 -16.0 8.1 32.5 59 75 A E - 0 0 137 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.470 55.4-161.6 -69.2 128.9 -16.2 9.4 28.8 60 76 A L + 0 0 34 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.926 37.8 122.0-113.2 105.8 -13.4 8.0 26.6 61 77 A H - 0 0 32 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.931 51.6-122.9-155.5 174.2 -13.1 10.2 23.5 62 78 A I E -Bc 77 202A 0 139,-2.7 141,-2.6 -2,-0.3 2,-0.4 -0.997 18.8-163.4-130.8 130.5 -11.0 12.4 21.3 63 79 A N E -Bc 76 203A 27 13,-3.0 13,-3.1 -2,-0.4 2,-0.5 -0.945 5.7-157.5-114.6 136.9 -11.8 16.0 20.2 64 80 A L E -Bc 75 204A 0 139,-2.9 141,-2.8 -2,-0.4 11,-0.2 -0.964 15.4-174.9-111.6 120.1 -10.2 17.9 17.3 65 81 A I E -B 74 0A 52 9,-2.9 9,-2.3 -2,-0.5 2,-0.3 -0.886 7.0-167.1-126.9 102.3 -10.4 21.6 17.8 66 82 A P E -B 73 0A 9 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.636 2.5-173.0 -83.9 142.7 -9.2 24.0 15.1 67 83 A N E >> -B 72 0A 50 5,-2.4 5,-2.0 -2,-0.3 4,-1.1 -0.851 9.0-175.9-138.4 100.8 -8.8 27.7 15.9 68 84 A K T 45S+ 0 0 105 -2,-0.3 -1,-0.1 3,-0.2 5,-0.0 0.800 84.5 56.8 -67.5 -30.2 -8.1 30.0 13.0 69 85 A Q T 45S+ 0 0 185 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.919 118.6 31.0 -67.5 -43.8 -7.7 33.1 15.2 70 86 A D T 45S- 0 0 105 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.546 104.9-130.1 -87.1 -9.0 -5.0 31.5 17.4 71 87 A R T <5 + 0 0 78 -4,-1.1 103,-1.8 1,-0.2 2,-0.4 0.918 62.4 135.5 54.7 47.0 -3.7 29.4 14.4 72 88 A T E < -BD 67 173A 10 -5,-2.0 -5,-2.4 101,-0.2 2,-0.5 -0.953 47.1-158.8-124.9 144.0 -3.8 26.3 16.6 73 89 A L E -BD 66 172A 2 99,-1.9 99,-2.9 -2,-0.4 2,-0.5 -0.993 20.8-161.4-115.2 123.5 -5.1 22.8 16.1 74 90 A T E -BD 65 171A 17 -9,-2.3 -9,-2.9 -2,-0.5 2,-0.6 -0.906 11.3-161.0-111.1 129.9 -5.8 21.0 19.4 75 91 A I E -BD 64 170A 0 95,-2.6 95,-2.8 -2,-0.5 2,-0.4 -0.942 17.9-173.2-107.0 114.7 -6.1 17.3 19.9 76 92 A V E +BD 63 169A 21 -13,-3.1 -13,-3.0 -2,-0.6 2,-0.3 -0.907 7.7 171.1-112.3 134.7 -7.9 16.5 23.2 77 93 A D E -BD 62 168A 5 91,-2.6 91,-1.2 -2,-0.4 -15,-0.2 -0.948 35.6-140.2-134.6 160.2 -8.4 13.1 24.8 78 94 A T + 0 0 25 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.206 61.3 132.7-106.9 39.3 -9.7 11.8 28.1 79 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.165 77.8 -69.5 -75.0-162.2 -7.0 9.1 28.2 80 96 A I - 0 0 16 -41,-1.4 59,-0.5 1,-0.1 87,-0.2 0.743 68.5-150.6 -67.9 -24.8 -4.7 8.2 31.1 81 97 A G - 0 0 4 57,-0.2 2,-0.4 85,-0.2 57,-0.2 -0.129 16.9 -81.7 76.1-179.7 -2.7 11.4 31.0 82 98 A M - 0 0 41 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.965 27.3-136.6-130.1 141.2 0.9 11.9 32.0 83 99 A T > - 0 0 27 -2,-0.4 4,-2.1 54,-0.1 5,-0.2 -0.367 36.0-103.8 -82.6 168.8 2.7 12.4 35.3 84 100 A K H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.916 125.1 53.8 -58.2 -41.7 5.5 14.9 35.8 85 101 A A H >>S+ 0 0 44 1,-0.2 5,-2.3 2,-0.2 4,-2.2 0.867 106.3 52.3 -61.5 -39.2 8.0 12.0 35.7 86 102 A D H 4>S+ 0 0 40 3,-0.2 5,-1.7 4,-0.2 6,-0.5 0.940 113.2 44.7 -56.8 -49.4 6.5 10.9 32.3 87 103 A L H <5S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 123.4 31.9 -67.2 -40.7 7.0 14.4 30.9 88 104 A I H <5S- 0 0 33 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.892 136.0 -6.3 -87.3 -43.4 10.5 15.1 32.2 89 105 A N T X5S+ 0 0 99 -4,-2.2 4,-2.0 -5,-0.3 -3,-0.2 0.803 115.0 55.7-120.1 -59.7 12.2 11.7 32.2 90 106 A N H > S+ 0 0 17 -6,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.872 105.7 54.4 -63.7 -38.2 12.1 10.6 26.8 93 109 A T H X S+ 0 0 76 -4,-2.0 4,-0.7 2,-0.2 3,-0.4 0.935 112.5 42.4 -61.9 -46.5 14.1 7.6 28.0 94 110 A I H >X S+ 0 0 120 -4,-1.8 4,-1.3 1,-0.2 3,-0.8 0.921 110.6 57.1 -63.3 -43.6 11.9 5.2 26.0 95 111 A A H 3X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.736 93.0 71.6 -61.8 -23.2 11.9 7.6 23.1 96 112 A K H 3X S+ 0 0 89 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.2 0.927 100.5 42.2 -60.5 -47.1 15.7 7.5 23.0 97 113 A S H S+ 0 0 22 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.896 107.9 52.9 -59.2 -41.9 15.9 3.2 9.4 106 122 A L H ><5S+ 0 0 33 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.906 106.1 52.3 -60.5 -43.4 15.7 6.5 7.5 107 123 A Q H 3<5S+ 0 0 159 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.0 54.6 -62.3 -28.2 19.4 6.2 6.5 108 124 A A T 3<5S- 0 0 91 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.384 134.6 -87.9 -88.5 2.4 18.6 2.8 5.2 109 125 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.489 77.0 147.5 108.2 5.8 15.8 4.2 3.0 110 126 A A < - 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