==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 18-JAN-11 3QDD . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.ARNDT,M.A.BIAMONTE . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 75.6 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 19.6 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 . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 29.2 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 0 130 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 121.6 -8.1 18.0 35.1 2 18 A E E -A 156 0A 94 154,-2.8 154,-2.3 2,-0.0 2,-0.4 -0.871 360.0-153.1 -96.1 140.8 -10.8 20.6 34.9 3 19 A T E -A 155 0A 99 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.930 15.1-176.2-116.9 132.3 -13.0 20.8 31.7 4 20 A F E -A 154 0A 47 150,-2.9 150,-2.2 -2,-0.4 2,-0.4 -0.907 24.1-122.7-128.1 149.3 -14.7 24.0 30.6 5 21 A A E -A 153 0A 84 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.773 27.9-126.9 -86.2 135.9 -17.1 25.1 27.9 6 22 A F - 0 0 22 146,-2.0 2,-0.1 -2,-0.4 -1,-0.0 -0.477 38.9 -93.5 -66.5 151.7 -15.9 27.9 25.6 7 23 A Q >> - 0 0 65 1,-0.1 4,-2.3 -2,-0.1 3,-0.7 -0.408 40.0-110.3 -55.0 146.7 -18.4 30.7 25.3 8 24 A A H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.817 117.2 56.3 -53.4 -38.9 -20.6 30.1 22.3 9 25 A E H 3> S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 109.6 45.0 -64.9 -38.2 -19.0 33.0 20.4 10 26 A I H <> S+ 0 0 1 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.891 110.9 52.5 -74.3 -38.9 -15.6 31.5 20.7 11 27 A A H X S+ 0 0 26 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 110.0 51.3 -58.7 -41.9 -16.8 28.0 19.8 12 28 A Q H X S+ 0 0 118 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.925 108.8 49.0 -63.3 -44.9 -18.3 29.6 16.8 13 29 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.928 111.3 49.7 -56.4 -51.9 -15.1 31.4 15.8 14 30 A M H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.919 110.1 51.2 -59.7 -41.7 -13.1 28.1 16.2 15 31 A S H X S+ 0 0 61 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.910 109.8 49.6 -58.7 -43.7 -15.7 26.3 14.0 16 32 A L H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.8 48.7 -61.6 -45.2 -15.4 29.0 11.3 17 33 A I H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 116.5 42.2 -61.2 -43.0 -11.6 28.7 11.4 18 34 A I H < S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.874 122.6 37.4 -70.8 -39.1 -11.7 24.8 11.2 19 35 A N H < S+ 0 0 124 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.761 89.7 95.9 -93.5 -28.9 -14.5 24.7 8.5 20 36 A T S < S- 0 0 61 -4,-2.5 2,-0.6 -5,-0.2 -4,-0.0 -0.389 76.4-119.7 -66.3 139.5 -13.9 27.5 6.1 21 37 A F + 0 0 182 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.725 52.6 148.8 -81.7 118.9 -12.0 26.9 2.9 22 38 A Y - 0 0 36 -2,-0.6 3,-0.1 -5,-0.1 -2,-0.0 -0.820 30.1-167.6-157.7 106.0 -9.0 29.1 3.1 23 39 A S S S+ 0 0 94 -2,-0.3 2,-2.1 1,-0.2 3,-0.3 0.727 71.6 81.2 -69.7 -30.5 -5.7 28.2 1.6 24 40 A N > + 0 0 58 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 -0.369 50.1 146.7 -80.8 60.9 -3.4 30.8 3.2 25 41 A K T > + 0 0 39 -2,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.674 47.7 85.5 -70.0 -21.7 -3.0 28.9 6.4 26 42 A E T >> + 0 0 14 1,-0.3 3,-1.5 -3,-0.3 4,-0.6 0.658 66.9 82.9 -60.1 -17.9 0.6 30.0 7.1 27 43 A I H <> S+ 0 0 0 -3,-0.9 4,-1.8 1,-0.3 -1,-0.3 0.679 70.5 81.3 -64.5 -12.1 -0.6 33.2 8.8 28 44 A F H <> S+ 0 0 0 -3,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.889 88.5 53.6 -59.4 -39.7 -1.0 31.2 12.0 29 45 A L H <> S+ 0 0 1 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.906 105.7 51.2 -64.2 -42.3 2.7 31.5 12.7 30 46 A R H X S+ 0 0 61 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.890 109.8 51.4 -61.0 -41.0 2.8 35.3 12.4 31 47 A E H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.910 111.5 45.4 -63.9 -43.8 -0.1 35.5 14.8 32 48 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.892 113.3 49.9 -67.4 -41.1 1.5 33.4 17.5 33 49 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.898 109.5 51.9 -63.5 -41.6 4.8 35.2 17.1 34 50 A S H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 109.2 50.6 -57.7 -47.7 3.0 38.5 17.4 35 51 A N H X S+ 0 0 62 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.916 110.5 48.9 -56.8 -44.9 1.4 37.2 20.6 36 52 A S H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 110.3 51.2 -60.3 -46.4 4.8 36.2 22.0 37 53 A S H X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.924 110.1 49.6 -57.0 -43.4 6.2 39.6 21.1 38 54 A D H X S+ 0 0 71 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.907 111.2 49.2 -64.1 -41.7 3.3 41.3 22.9 39 55 A A H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 41,-1.3 0.863 112.2 48.6 -65.1 -40.1 3.9 39.1 26.0 40 56 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 39,-0.3 -2,-0.2 0.916 109.5 51.8 -62.9 -47.9 7.6 39.9 26.0 41 57 A D H X S+ 0 0 58 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.906 109.6 52.7 -55.1 -40.8 6.9 43.7 25.7 42 58 A K H X S+ 0 0 123 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.932 111.6 41.6 -66.3 -47.7 4.6 43.3 28.7 43 59 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.900 114.2 53.9 -67.5 -37.6 7.1 41.6 31.1 44 60 A R H X S+ 0 0 116 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.937 111.3 45.5 -58.0 -48.8 9.9 44.0 29.8 45 61 A Y H >X S+ 0 0 166 -4,-2.6 3,-1.2 -5,-0.2 4,-0.6 0.934 112.9 48.9 -63.1 -49.3 7.7 47.1 30.7 46 62 A E H >X S+ 0 0 59 -4,-2.5 4,-1.9 1,-0.2 3,-1.3 0.891 104.0 61.7 -57.8 -38.5 6.7 45.7 34.1 47 63 A S H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.697 91.2 68.6 -60.0 -23.3 10.4 44.9 34.9 48 64 A L H << S+ 0 0 128 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.818 112.5 29.3 -66.9 -31.7 11.2 48.7 34.5 49 65 A T H << S+ 0 0 118 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.695 135.5 28.9-102.2 -22.0 9.2 49.4 37.7 50 66 A D >< - 0 0 69 -4,-1.9 3,-2.1 1,-0.1 -1,-0.2 -0.742 63.9-176.0-138.4 87.6 9.7 46.1 39.5 51 67 A P G > S+ 0 0 89 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.740 78.2 72.8 -54.3 -29.9 13.1 44.5 38.5 52 68 A S G > S+ 0 0 59 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.664 76.2 80.4 -62.8 -17.2 12.3 41.3 40.5 53 69 A K G < S+ 0 0 49 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.693 90.8 54.0 -61.6 -19.0 9.7 40.4 37.9 54 70 A L G X S+ 0 0 23 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.304 75.7 97.8 -96.3 8.9 12.8 39.1 35.9 55 71 A D T < S+ 0 0 130 -3,-1.9 -1,-0.2 1,-0.3 3,-0.2 0.775 80.0 60.4 -62.3 -24.5 14.0 36.9 38.8 56 72 A S T 3 S- 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.307 133.6 -34.5 -84.9 4.9 12.1 34.1 36.9 57 73 A G < - 0 0 29 -3,-2.0 -1,-0.3 108,-0.1 -2,-0.1 -0.079 43.8-151.6 142.3 125.6 14.5 34.7 33.9 58 74 A K + 0 0 147 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.725 68.7 98.5 -84.9 -24.0 16.1 37.7 32.3 59 75 A E - 0 0 121 -5,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.508 55.5-161.4 -76.4 130.2 16.3 36.5 28.7 60 76 A L + 0 0 31 -2,-0.3 2,-0.3 17,-0.1 19,-0.1 -0.933 37.8 119.0-114.3 104.4 13.5 37.8 26.4 61 77 A H - 0 0 27 -2,-0.7 17,-1.3 139,-0.2 2,-0.4 -0.974 52.2-120.9-158.5 171.2 13.2 35.6 23.4 62 78 A I E -Bc 77 202A 0 139,-2.6 141,-2.7 -2,-0.3 2,-0.4 -0.990 18.9-166.5-125.1 133.6 11.3 33.3 21.1 63 79 A N E -Bc 76 203A 25 13,-2.5 13,-3.1 -2,-0.4 2,-0.5 -0.950 7.3-157.5-119.9 138.4 12.1 29.7 20.1 64 80 A L E -Bc 75 204A 1 139,-2.6 141,-2.9 -2,-0.4 11,-0.2 -0.982 15.6-173.1-114.6 117.2 10.4 27.7 17.3 65 81 A I E -B 74 0A 51 9,-2.7 9,-2.3 -2,-0.5 2,-0.3 -0.918 6.8-167.8-125.4 102.6 10.8 24.0 17.8 66 82 A P E -B 73 0A 9 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.677 3.3-174.2 -84.1 143.5 9.7 21.5 15.1 67 83 A N E >> -B 72 0A 41 5,-2.5 5,-2.0 -2,-0.3 4,-1.0 -0.872 11.0-174.7-138.9 107.2 9.5 17.8 16.1 68 84 A K T 45S+ 0 0 67 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.845 85.1 59.1 -71.6 -32.2 8.7 15.3 13.3 69 85 A Q T 45S+ 0 0 173 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.923 119.1 29.1 -58.9 -46.8 8.5 12.3 15.8 70 86 A D T 45S- 0 0 102 2,-0.1 -1,-0.2 103,-0.0 -2,-0.2 0.496 104.0-127.8 -89.2 -9.7 5.6 14.0 17.7 71 87 A R T <5 + 0 0 80 -4,-1.0 103,-2.0 1,-0.2 2,-0.4 0.923 63.3 136.2 54.2 48.2 4.2 16.0 14.7 72 88 A T E < -BD 67 173A 10 -5,-2.0 -5,-2.5 101,-0.2 2,-0.5 -0.955 46.5-162.3-123.6 144.6 4.4 19.2 16.7 73 89 A L E -BD 66 172A 0 99,-1.8 99,-2.9 -2,-0.4 2,-0.5 -0.996 21.5-163.0-118.2 124.7 5.5 22.7 16.1 74 90 A T E -BD 65 171A 19 -9,-2.3 -9,-2.7 -2,-0.5 2,-0.6 -0.903 11.6-159.9-113.5 128.5 6.1 24.6 19.4 75 91 A I E -BD 64 170A 0 95,-2.6 95,-2.9 -2,-0.5 2,-0.4 -0.956 19.9-173.0-107.9 114.3 6.3 28.3 19.8 76 92 A V E +BD 63 169A 19 -13,-3.1 -13,-2.5 -2,-0.6 2,-0.3 -0.905 7.9 172.0-110.7 136.7 8.1 29.2 23.1 77 93 A D E -BD 62 168A 6 91,-2.4 91,-1.6 -2,-0.4 -15,-0.2 -0.957 35.8-139.7-138.6 160.9 8.5 32.6 24.6 78 94 A T + 0 0 27 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.191 61.8 130.6-106.8 38.0 9.8 34.0 27.9 79 95 A G S S- 0 0 0 89,-0.1 -39,-0.3 -18,-0.1 -40,-0.1 0.143 79.4 -69.1 -74.6-162.2 7.0 36.6 28.1 80 96 A I - 0 0 20 -41,-1.3 59,-0.5 1,-0.1 87,-0.2 0.746 68.9-151.5 -68.8 -25.0 4.7 37.5 30.9 81 97 A G - 0 0 6 57,-0.2 2,-0.4 85,-0.1 57,-0.2 -0.168 18.8 -77.0 75.6-178.2 2.8 34.2 30.7 82 98 A M - 0 0 35 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.966 31.0-137.7-127.5 137.8 -0.9 33.6 31.7 83 99 A T > - 0 0 29 -2,-0.4 4,-2.2 54,-0.1 5,-0.2 -0.378 35.1-104.1 -80.9 168.5 -2.6 33.2 35.1 84 100 A K H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.905 125.5 54.8 -60.2 -39.0 -5.3 30.6 35.8 85 101 A A H >>S+ 0 0 48 1,-0.2 5,-2.6 2,-0.2 4,-2.3 0.876 105.8 51.4 -64.1 -38.6 -7.8 33.5 35.6 86 102 A D H 4>S+ 0 0 34 3,-0.2 5,-2.0 4,-0.2 6,-0.5 0.931 112.7 46.7 -58.1 -48.7 -6.5 34.4 32.1 87 103 A L H <5S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 122.7 30.9 -66.7 -41.5 -6.9 30.8 30.9 88 104 A I H <5S- 0 0 38 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.906 139.0 -5.9 -86.5 -44.2 -10.4 30.2 32.3 89 105 A N T X5S+ 0 0 101 -4,-2.3 4,-2.4 -5,-0.3 -3,-0.2 0.816 115.3 58.7-119.1 -53.0 -12.0 33.6 32.1 90 106 A N H > S+ 0 0 17 -6,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.894 109.2 52.6 -58.0 -45.1 -12.3 34.5 26.7 93 109 A T H >X S+ 0 0 88 -4,-2.4 4,-0.8 1,-0.2 3,-0.5 0.949 112.5 43.4 -59.0 -51.6 -13.9 37.7 28.0 94 110 A I H >X S+ 0 0 120 -4,-2.3 4,-1.2 1,-0.2 3,-0.6 0.923 111.1 56.2 -59.8 -43.8 -11.7 39.9 25.9 95 111 A A H 3X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.724 90.7 73.3 -66.5 -25.7 -12.1 37.6 22.8 96 112 A K H S+ 0 0 21 -4,-2.4 5,-2.9 1,-0.2 4,-0.3 0.866 107.6 53.5 -60.3 -42.7 -15.8 42.1 9.0 106 122 A L H ><5S+ 0 0 36 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.906 107.1 51.7 -61.0 -41.3 -15.8 38.7 7.3 107 123 A Q H 3<5S+ 0 0 182 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 108.9 52.1 -63.5 -28.9 -19.4 39.2 6.3 108 124 A A T 3<5S- 0 0 93 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.420 135.0 -83.7 -87.1 -3.4 -18.4 42.6 4.8 109 125 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.442 82.6 134.7 115.1 2.3 -15.6 41.1 2.7 110 126 A A < - 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