==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 24-MAR-11 3R91 . 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,T.NITTOLI,M.OTTENG, . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 77.3 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 19.8 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 . 32 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 29.5 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 0 111 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 124.4 42.0 27.4 34.9 2 18 A E E -A 156 0A 95 154,-2.5 154,-2.2 2,-0.0 2,-0.4 -0.864 360.0-151.3-103.8 136.5 44.7 24.8 34.6 3 19 A T E -A 155 0A 97 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.913 16.0-175.9-110.9 133.7 46.9 24.6 31.5 4 20 A F E -A 154 0A 49 150,-3.1 150,-2.2 -2,-0.4 2,-0.4 -0.917 24.5-123.1-128.0 150.8 48.5 21.3 30.4 5 21 A A E -A 153 0A 83 -2,-0.3 148,-0.3 148,-0.2 3,-0.1 -0.783 32.5-120.2 -89.5 133.9 50.8 20.1 27.6 6 22 A F - 0 0 16 146,-1.9 5,-0.0 -2,-0.4 -1,-0.0 -0.408 39.6 -90.4 -61.7 147.4 49.5 17.4 25.3 7 23 A Q >> - 0 0 76 1,-0.1 4,-2.1 -2,-0.1 3,-0.7 -0.325 45.0-112.4 -48.2 142.1 51.5 14.2 25.2 8 24 A A H 3> S+ 0 0 69 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.864 116.1 53.5 -56.0 -40.2 54.1 14.7 22.4 9 25 A E H 3> S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.853 108.9 49.6 -63.4 -35.7 52.5 12.0 20.2 10 26 A I H <> S+ 0 0 2 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.880 108.5 50.8 -74.7 -38.5 49.1 13.7 20.5 11 27 A A H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 111.2 51.5 -59.0 -42.5 50.4 17.2 19.6 12 28 A Q H X S+ 0 0 115 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.920 109.6 48.2 -58.9 -47.6 52.0 15.4 16.6 13 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.916 110.1 52.1 -60.3 -45.7 48.7 13.9 15.6 14 30 A M H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 108.8 49.9 -60.0 -44.3 46.9 17.2 16.0 15 31 A S H X S+ 0 0 63 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.900 110.4 50.7 -61.3 -40.3 49.4 18.9 13.7 16 32 A L H X S+ 0 0 44 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 111.6 47.7 -61.8 -44.4 49.0 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 0.885 117.6 41.9 -64.1 -39.9 45.2 16.5 11.2 18 34 A I H < S+ 0 0 67 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.876 123.5 36.0 -74.4 -38.0 45.4 20.3 10.9 19 35 A N H < S+ 0 0 128 -4,-2.9 2,-0.2 -5,-0.2 -2,-0.2 0.717 90.9 97.0 -93.7 -25.9 48.2 20.5 8.3 20 36 A T S < S- 0 0 62 -4,-2.5 2,-0.6 -5,-0.3 -4,-0.0 -0.457 76.6-120.7 -70.5 134.1 47.5 17.5 6.0 21 37 A F + 0 0 181 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.671 52.7 147.3 -73.7 119.9 45.6 18.1 2.8 22 38 A Y - 0 0 41 -2,-0.6 3,-0.1 -5,-0.1 -2,-0.0 -0.830 30.8-168.8-160.2 110.4 42.5 15.9 3.0 23 39 A S S S+ 0 0 92 -2,-0.3 2,-2.4 1,-0.2 3,-0.3 0.739 71.2 84.6 -80.7 -22.7 39.2 16.9 1.5 24 40 A N > + 0 0 59 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.263 49.4 143.5 -79.5 54.6 37.0 14.2 3.1 25 41 A K T > + 0 0 38 -2,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.705 46.2 84.6 -68.4 -22.6 36.5 16.2 6.3 26 42 A E T >> + 0 0 18 -3,-0.3 3,-1.5 1,-0.3 4,-0.6 0.670 68.9 80.8 -60.3 -18.9 32.9 15.1 7.0 27 43 A I H <> S+ 0 0 1 -3,-1.1 4,-1.7 1,-0.3 -1,-0.3 0.660 71.3 82.9 -63.8 -11.5 34.0 11.9 8.7 28 44 A F H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.908 87.0 54.1 -56.7 -39.4 34.6 14.0 11.9 29 45 A L H <> S+ 0 0 1 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.915 105.0 51.7 -66.9 -42.8 30.9 13.8 12.7 30 46 A R H X S+ 0 0 60 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.882 109.8 51.5 -56.7 -40.7 30.8 10.0 12.6 31 47 A E H X S+ 0 0 15 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.897 111.5 44.9 -68.1 -40.7 33.8 9.9 14.9 32 48 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.892 113.0 50.5 -71.7 -37.8 32.2 12.1 17.5 33 49 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.890 109.0 53.5 -64.7 -37.0 28.9 10.3 17.3 34 50 A S H X S+ 0 0 46 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.913 106.4 51.3 -64.2 -42.4 30.8 7.1 17.8 35 51 A N H X S+ 0 0 59 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.919 112.8 46.9 -56.0 -46.6 32.4 8.5 21.0 36 52 A S H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 110.1 51.7 -62.5 -46.6 29.0 9.4 22.2 37 53 A S H X S+ 0 0 13 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.917 109.9 50.0 -56.5 -44.8 27.5 6.0 21.3 38 54 A D H X S+ 0 0 75 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.900 110.2 50.1 -60.3 -41.9 30.4 4.3 23.3 39 55 A A H X S+ 0 0 13 -4,-2.0 4,-1.9 2,-0.2 41,-1.5 0.851 111.5 48.6 -66.9 -34.0 29.7 6.6 26.3 40 56 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 39,-0.3 -2,-0.2 0.914 108.2 53.5 -73.2 -42.3 26.0 5.7 26.2 41 57 A D H X S+ 0 0 59 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.899 108.9 52.6 -51.9 -43.7 26.8 2.0 25.9 42 58 A K H X S+ 0 0 117 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.927 111.1 41.9 -63.9 -49.7 28.9 2.4 29.0 43 59 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.883 113.9 54.3 -68.2 -34.4 26.3 4.0 31.2 44 60 A R H X S+ 0 0 119 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.947 110.9 45.6 -61.2 -47.6 23.7 1.6 29.9 45 61 A Y H >X S+ 0 0 163 -4,-2.5 3,-1.2 -5,-0.2 4,-0.6 0.937 113.5 48.2 -61.2 -47.9 25.8 -1.4 30.9 46 62 A E H >X S+ 0 0 65 -4,-2.4 4,-2.1 1,-0.3 3,-1.3 0.885 104.3 60.3 -62.2 -38.1 26.7 0.0 34.3 47 63 A S H 3< S+ 0 0 16 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.659 92.6 68.1 -65.8 -16.9 23.0 0.8 35.1 48 64 A L H << S+ 0 0 135 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.837 110.9 32.4 -68.3 -33.7 22.2 -2.9 34.7 49 65 A T H << S+ 0 0 120 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.788 136.9 24.4 -91.0 -33.1 24.1 -3.7 37.9 50 66 A D >< - 0 0 61 -4,-2.1 3,-1.9 1,-0.1 -1,-0.3 -0.810 62.8-175.3-139.4 90.7 23.3 -0.4 39.6 51 67 A P G > S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.671 78.8 75.1 -60.6 -20.6 20.1 1.3 38.4 52 68 A S G > S+ 0 0 60 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.633 75.3 79.3 -70.5 -13.0 20.8 4.3 40.6 53 69 A K G < S+ 0 0 58 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.665 88.8 57.3 -66.8 -12.9 23.5 5.4 38.1 54 70 A L G X S+ 0 0 28 -3,-1.7 3,-1.9 1,-0.2 -1,-0.3 0.280 72.9 98.4-100.4 8.9 20.6 6.7 36.1 55 71 A D T < S+ 0 0 127 -3,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.776 79.4 60.7 -62.3 -24.3 19.3 9.0 38.8 56 72 A S T 3 S- 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.358 133.5 -35.4 -84.1 4.0 21.2 11.7 36.9 57 73 A G < - 0 0 30 -3,-1.9 -1,-0.3 108,-0.1 -2,-0.1 -0.110 43.7-150.6 141.3 125.4 19.0 11.0 33.9 58 74 A K + 0 0 157 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.769 69.3 96.9 -85.4 -28.0 17.3 8.0 32.4 59 75 A E - 0 0 135 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.458 55.4-162.1 -70.6 130.2 17.2 9.2 28.7 60 76 A L + 0 0 34 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.930 38.0 125.3-113.7 104.6 20.0 7.9 26.6 61 77 A H - 0 0 34 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.927 50.7-126.2-152.5 173.1 20.3 10.0 23.5 62 78 A I E -Bc 77 202A 0 139,-2.6 141,-2.6 -2,-0.3 2,-0.4 -0.999 18.9-165.6-130.7 130.6 22.4 12.2 21.2 63 79 A N E -Bc 76 203A 28 13,-2.8 13,-2.9 -2,-0.4 2,-0.5 -0.949 7.3-156.7-116.4 137.5 21.6 15.8 20.1 64 80 A L E -Bc 75 204A 0 139,-2.9 141,-2.7 -2,-0.4 11,-0.2 -0.962 16.5-175.0-112.5 119.3 23.2 17.7 17.2 65 81 A I E -B 74 0A 51 9,-2.9 9,-2.4 -2,-0.5 2,-0.3 -0.889 7.1-168.1-126.9 103.4 22.9 21.4 17.7 66 82 A P E -B 73 0A 8 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.664 1.3-171.9 -86.9 142.1 24.1 23.9 15.1 67 83 A N E >> -B 72 0A 52 5,-2.9 5,-1.9 -2,-0.3 4,-1.1 -0.867 8.0-174.4-135.1 103.4 24.3 27.6 15.9 68 84 A K T 45S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.849 84.8 56.0 -65.8 -36.5 25.1 29.9 13.0 69 85 A Q T 45S+ 0 0 177 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.905 119.2 32.2 -62.2 -41.4 25.4 33.0 15.1 70 86 A D T 45S- 0 0 109 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.530 104.2-131.0 -90.8 -8.5 28.1 31.4 17.3 71 87 A R T <5 + 0 0 79 -4,-1.1 103,-1.8 1,-0.2 2,-0.4 0.901 61.9 134.7 54.4 45.6 29.5 29.4 14.4 72 88 A T E < -BD 67 173A 12 -5,-1.9 -5,-2.9 101,-0.2 2,-0.5 -0.937 46.9-159.5-122.2 146.7 29.4 26.2 16.6 73 89 A L E -BD 66 172A 1 99,-1.9 99,-2.8 -2,-0.4 2,-0.5 -0.998 20.8-161.5-118.2 123.4 28.2 22.7 16.0 74 90 A T E -BD 65 171A 18 -9,-2.4 -9,-2.9 -2,-0.5 2,-0.6 -0.909 11.6-160.2-111.5 129.3 27.5 20.9 19.4 75 91 A I E -BD 64 170A 0 95,-2.6 95,-2.8 -2,-0.5 2,-0.4 -0.944 19.2-173.7-106.2 115.5 27.3 17.2 19.9 76 92 A V E +BD 63 169A 22 -13,-2.9 -13,-2.8 -2,-0.6 2,-0.3 -0.913 7.6 170.7-114.9 134.5 25.5 16.4 23.1 77 93 A D E -BD 62 168A 5 91,-2.7 91,-1.3 -2,-0.4 -15,-0.2 -0.950 36.3-139.9-137.4 160.7 25.0 13.0 24.8 78 94 A T + 0 0 26 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.199 61.3 132.6-108.0 38.5 23.7 11.7 28.0 79 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.133 78.3 -71.8 -74.4-163.1 26.4 9.0 28.2 80 96 A I - 0 0 18 -41,-1.5 59,-0.5 -44,-0.2 87,-0.2 0.740 67.8-152.7 -70.1 -23.4 28.6 8.1 31.1 81 97 A G - 0 0 5 85,-0.2 2,-0.4 57,-0.1 57,-0.2 -0.168 16.8 -80.5 75.7-175.6 30.7 11.3 30.9 82 98 A M - 0 0 37 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.978 27.1-136.0-134.0 141.2 34.3 11.8 32.0 83 99 A T > - 0 0 32 -2,-0.4 4,-2.1 54,-0.1 5,-0.2 -0.349 37.3-102.0 -82.3 169.7 36.0 12.4 35.3 84 100 A K H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.913 125.1 54.0 -58.1 -40.7 38.8 15.0 35.8 85 101 A A H >>S+ 0 0 45 1,-0.2 5,-2.4 2,-0.2 4,-2.3 0.897 106.2 52.4 -62.5 -41.8 41.3 12.1 35.7 86 102 A D H 4>S+ 0 0 36 3,-0.2 5,-1.8 4,-0.2 6,-0.5 0.937 112.0 46.0 -52.8 -51.7 39.9 11.0 32.3 87 103 A L H <5S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.838 123.5 30.4 -65.4 -39.2 40.3 14.5 30.8 88 104 A I H <5S- 0 0 31 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.900 137.4 -4.9 -89.7 -46.5 43.8 15.2 32.0 89 105 A N T X5S+ 0 0 97 -4,-2.3 4,-2.0 -5,-0.3 -3,-0.2 0.813 115.8 58.0-117.3 -54.5 45.6 11.8 32.2 90 106 A N H > S+ 0 0 14 -6,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.851 106.6 52.8 -65.9 -35.8 45.5 10.7 26.8 93 109 A T H >X S+ 0 0 78 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.953 112.7 44.2 -62.6 -48.9 47.6 7.8 28.0 94 110 A I H >X S+ 0 0 116 -4,-2.0 4,-1.3 1,-0.2 3,-0.6 0.915 109.7 57.1 -59.1 -43.3 45.4 5.5 26.1 95 111 A A H 3X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.757 92.5 73.0 -61.6 -26.1 45.5 7.8 23.1 96 112 A K H S+ 0 0 24 -4,-2.4 5,-2.9 1,-0.2 4,-0.3 0.866 108.1 54.0 -61.7 -38.2 49.5 3.2 9.3 106 122 A L H ><5S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.924 105.9 51.2 -61.8 -45.2 49.3 6.5 7.5 107 123 A Q H 3<5S+ 0 0 171 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 109.5 53.0 -61.0 -26.6 53.0 6.2 6.5 108 124 A A T 3<5S- 0 0 90 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.415 134.3 -83.8 -92.2 -1.6 52.1 2.8 5.2 109 125 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.370 83.7 132.0 119.1 -5.0 49.3 4.0 3.0 110 126 A A < - 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