==== 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 13-AUG-09 3INX . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.P.KORNDOERFER . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10641.0 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 15.9 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 0 126 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 123.2 76.0 27.4 35.1 2 18 A E E -A 156 0A 93 154,-2.7 154,-2.1 2,-0.0 2,-0.4 -0.879 360.0-152.9-106.3 137.4 78.7 24.7 34.7 3 19 A T E -A 155 0A 97 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.926 15.8-178.1-111.9 132.0 80.8 24.5 31.5 4 20 A F E -A 154 0A 50 150,-3.0 150,-2.1 -2,-0.4 2,-0.4 -0.912 24.9-121.7-125.7 155.9 82.4 21.2 30.4 5 21 A A E -A 153 0A 81 -2,-0.3 148,-0.3 148,-0.2 3,-0.1 -0.774 28.3-123.6 -94.1 134.6 84.6 20.1 27.5 6 22 A F - 0 0 18 146,-2.0 2,-0.1 -2,-0.4 82,-0.0 -0.428 42.3 -90.0 -59.0 151.1 83.3 17.3 25.2 7 23 A Q >> - 0 0 59 1,-0.1 4,-2.4 -2,-0.1 3,-0.8 -0.426 43.5-110.8 -57.2 143.1 85.6 14.4 25.0 8 24 A A H 3> S+ 0 0 80 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.844 116.6 52.8 -51.7 -43.3 88.0 15.0 22.1 9 25 A E H 3> S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.856 109.9 48.3 -66.9 -30.7 86.5 12.3 19.9 10 26 A I H <> S+ 0 0 2 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.879 109.3 52.5 -75.6 -37.3 83.0 13.8 20.3 11 27 A A H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.928 110.5 49.9 -59.0 -43.3 84.3 17.3 19.5 12 28 A Q H X S+ 0 0 128 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.907 110.0 50.3 -60.2 -43.3 85.8 15.8 16.4 13 29 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.933 110.3 49.2 -59.7 -47.5 82.5 14.1 15.5 14 30 A M H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 110.9 49.7 -61.2 -43.2 80.6 17.3 15.9 15 31 A S H X S+ 0 0 57 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.893 110.1 51.5 -62.1 -39.1 83.1 19.2 13.7 16 32 A L H X S+ 0 0 45 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 110.7 47.7 -63.9 -43.3 82.8 16.5 11.1 17 33 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 117.1 43.6 -60.2 -41.2 79.0 16.8 11.1 18 34 A I H < S+ 0 0 64 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.0 36.3 -74.6 -36.3 79.2 20.6 10.9 19 35 A N H < S+ 0 0 123 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.715 89.9 98.2 -94.8 -23.9 81.9 20.8 8.2 20 36 A T S < S- 0 0 64 -4,-2.4 2,-0.7 -5,-0.3 -4,-0.0 -0.449 76.4-120.8 -71.8 137.6 81.2 17.9 5.8 21 37 A F + 0 0 183 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.693 53.3 148.3 -77.6 120.4 79.4 18.7 2.7 22 38 A Y - 0 0 31 -2,-0.7 3,-0.1 -5,-0.1 -2,-0.0 -0.844 31.1-169.0-160.8 107.4 76.3 16.4 2.9 23 39 A S S S+ 0 0 94 -2,-0.3 2,-2.1 1,-0.2 3,-0.3 0.724 70.6 84.4 -79.5 -23.2 73.0 17.4 1.5 24 40 A N > + 0 0 64 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.269 49.1 142.7 -80.0 54.9 70.8 14.6 3.1 25 41 A K T > + 0 0 39 -2,-2.1 3,-2.4 1,-0.2 4,-0.2 0.730 46.6 84.1 -68.6 -26.6 70.3 16.6 6.3 26 42 A E T >> S+ 0 0 20 -3,-0.3 3,-1.6 1,-0.3 4,-0.6 0.696 70.7 79.0 -57.1 -18.6 66.6 15.6 6.9 27 43 A I H <> S+ 0 0 1 -3,-1.1 4,-2.1 1,-0.3 -1,-0.3 0.680 71.7 81.9 -66.7 -14.7 67.7 12.3 8.6 28 44 A F H <> S+ 0 0 0 -3,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.886 89.5 53.8 -53.6 -37.1 68.4 14.3 11.8 29 45 A L H <> S+ 0 0 1 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.942 106.7 49.0 -69.6 -43.3 64.7 14.1 12.5 30 46 A R H X S+ 0 0 60 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.885 111.1 51.7 -56.6 -41.4 64.6 10.3 12.2 31 47 A E H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.892 111.9 44.7 -69.3 -36.9 67.6 10.0 14.5 32 48 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.883 113.7 48.9 -73.7 -40.7 66.1 12.2 17.2 33 49 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.898 110.9 52.5 -60.0 -41.2 62.7 10.5 17.0 34 50 A S H X S+ 0 0 41 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.925 109.4 48.9 -61.5 -43.9 64.6 7.1 17.2 35 51 A N H X S+ 0 0 54 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.917 111.2 49.8 -59.1 -46.4 66.4 8.4 20.4 36 52 A S H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.919 111.2 48.8 -58.7 -48.3 63.1 9.5 21.8 37 53 A S H X S+ 0 0 13 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.903 110.8 50.8 -58.9 -40.9 61.6 6.0 21.0 38 54 A D H X S+ 0 0 80 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.917 110.7 48.8 -62.7 -40.9 64.6 4.4 22.7 39 55 A A H X S+ 0 0 18 -4,-2.5 4,-1.9 2,-0.2 41,-1.5 0.894 111.8 48.9 -65.6 -40.9 64.2 6.5 25.8 40 56 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 39,-0.3 5,-0.2 0.918 107.7 55.3 -64.4 -43.7 60.4 5.6 25.9 41 57 A D H X S+ 0 0 60 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.910 106.7 52.5 -54.4 -44.7 61.4 1.9 25.5 42 58 A K H X S+ 0 0 127 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.924 111.6 42.3 -60.0 -49.0 63.6 2.2 28.6 43 59 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 115.8 50.6 -66.8 -37.1 61.0 3.8 30.9 44 60 A R H X S+ 0 0 109 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.957 112.9 45.8 -63.3 -48.4 58.4 1.3 29.7 45 61 A Y H >X S+ 0 0 186 -4,-2.9 3,-0.8 1,-0.2 4,-0.7 0.916 114.7 46.5 -62.1 -47.8 60.7 -1.7 30.2 46 62 A E H >X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 3,-0.8 0.860 106.0 61.3 -63.5 -33.0 61.8 -0.6 33.7 47 63 A S H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.707 93.4 63.8 -66.6 -24.6 58.1 0.2 34.6 48 64 A L H << S+ 0 0 133 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.825 112.2 35.7 -68.2 -32.3 57.2 -3.5 34.1 49 65 A T H << S+ 0 0 129 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.775 136.7 23.3 -87.5 -30.2 59.5 -4.4 37.0 50 66 A D >< - 0 0 64 -4,-2.0 3,-2.3 -5,-0.1 -1,-0.2 -0.740 64.7-174.6-140.0 89.3 58.6 -1.3 39.0 51 67 A P G > S+ 0 0 94 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.710 79.3 74.0 -59.2 -19.8 55.3 0.3 38.0 52 68 A S G > S+ 0 0 60 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.662 74.8 80.5 -71.6 -16.0 56.0 3.3 40.3 53 69 A K G < S+ 0 0 57 -3,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.681 89.6 55.5 -59.5 -17.8 58.5 4.5 37.7 54 70 A L G X S+ 0 0 30 -3,-1.8 3,-2.2 1,-0.2 -1,-0.2 0.313 74.6 98.4 -96.8 6.6 55.3 5.9 35.9 55 71 A D T < S+ 0 0 132 -3,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.813 80.0 59.1 -61.2 -28.0 54.1 7.9 38.9 56 72 A S T 3 S- 0 0 38 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.424 133.5 -32.2 -81.0 1.6 55.8 10.9 37.1 57 73 A G < - 0 0 22 -3,-2.2 -1,-0.3 108,-0.1 -2,-0.1 -0.204 42.5-152.3 147.0 125.9 53.5 10.3 34.1 58 74 A K + 0 0 155 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.739 68.6 100.1 -85.6 -24.7 51.9 7.4 32.4 59 75 A E - 0 0 130 -5,-0.1 2,-0.5 1,-0.1 0, 0.0 -0.446 52.2-166.8 -69.6 131.5 51.7 8.8 28.9 60 76 A L + 0 0 34 -2,-0.2 2,-0.3 17,-0.0 19,-0.1 -0.945 36.0 125.1-118.4 102.2 54.5 7.6 26.5 61 77 A H - 0 0 44 -2,-0.5 17,-1.6 139,-0.2 2,-0.4 -0.937 50.7-128.6-153.3 172.3 54.5 9.8 23.4 62 78 A I E -Bc 77 202A 0 139,-2.5 141,-2.4 -2,-0.3 2,-0.4 -1.000 19.4-165.4-132.2 128.8 56.6 12.1 21.2 63 79 A N E -Bc 76 203A 26 13,-2.7 13,-2.9 -2,-0.4 2,-0.5 -0.945 8.1-155.3-117.8 137.5 55.6 15.7 20.2 64 80 A L E -Bc 75 204A 0 139,-3.0 141,-2.8 -2,-0.4 11,-0.2 -0.966 16.6-175.3-110.0 120.5 57.1 17.7 17.4 65 81 A I E -B 74 0A 51 9,-2.9 9,-2.6 -2,-0.5 2,-0.3 -0.914 5.8-168.0-128.1 101.6 56.7 21.4 17.9 66 82 A P E -B 73 0A 6 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.643 1.9-172.4 -86.2 146.5 57.8 24.0 15.3 67 83 A N E >> -B 72 0A 48 5,-2.2 5,-1.8 -2,-0.3 4,-1.0 -0.858 9.7-174.0-139.7 103.4 58.0 27.7 16.2 68 84 A K T 45S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.852 85.2 58.2 -68.6 -30.7 58.7 30.1 13.4 69 85 A Q T 45S+ 0 0 178 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.919 117.9 30.4 -64.7 -44.1 59.0 33.0 15.7 70 86 A D T 45S- 0 0 105 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.503 104.3-128.7 -88.4 -7.0 61.8 31.5 17.8 71 87 A R T <5 + 0 0 78 -4,-1.0 103,-1.9 1,-0.2 2,-0.4 0.920 63.0 136.5 53.4 47.6 63.2 29.5 14.7 72 88 A T E < -BD 67 173A 11 -5,-1.8 -5,-2.2 101,-0.2 2,-0.5 -0.957 47.5-158.8-124.1 145.1 63.1 26.3 16.8 73 89 A L E -BD 66 172A 2 99,-2.0 99,-3.0 -2,-0.4 2,-0.5 -0.994 21.3-162.2-114.1 121.0 62.0 22.8 16.2 74 90 A T E -BD 65 171A 18 -9,-2.6 -9,-2.9 -2,-0.5 2,-0.6 -0.894 10.9-162.9-107.4 130.6 61.4 21.0 19.6 75 91 A I E -BD 64 170A 0 95,-2.6 95,-3.0 -2,-0.5 2,-0.4 -0.961 15.9-171.2-112.0 114.3 61.2 17.2 19.9 76 92 A V E +BD 63 169A 23 -13,-2.9 -13,-2.7 -2,-0.6 2,-0.3 -0.908 7.9 172.9-107.1 131.4 59.5 16.4 23.2 77 93 A D E -BD 62 168A 5 91,-2.9 91,-1.3 -2,-0.4 -15,-0.2 -0.955 33.1-143.2-130.7 159.0 59.3 12.8 24.7 78 94 A T + 0 0 25 -17,-1.6 89,-0.2 -2,-0.3 -16,-0.1 -0.139 59.0 130.4-108.2 38.4 58.1 11.4 27.9 79 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.194 80.2 -66.6 -72.7-161.7 60.9 8.7 28.1 80 96 A I - 0 0 18 -41,-1.5 59,-0.6 1,-0.1 87,-0.2 0.743 69.2-153.4 -67.6 -18.8 63.2 7.9 30.9 81 97 A G - 0 0 6 85,-0.2 2,-0.4 57,-0.2 57,-0.2 -0.177 19.6 -80.4 67.6-172.2 65.0 11.3 30.8 82 98 A M - 0 0 37 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.989 27.4-137.3-134.0 134.4 68.6 11.8 31.9 83 99 A T > - 0 0 24 -2,-0.4 4,-2.3 54,-0.1 5,-0.1 -0.285 40.3 -99.3 -74.0 171.9 70.2 12.4 35.3 84 100 A K H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.917 127.9 51.4 -58.5 -38.8 72.9 15.0 35.7 85 101 A A H >>S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-2.5 0.857 107.6 52.4 -68.5 -38.9 75.5 12.2 35.5 86 102 A D H 4>S+ 0 0 34 3,-0.2 5,-1.7 4,-0.2 6,-0.4 0.916 110.9 48.0 -55.5 -48.5 73.9 11.0 32.2 87 103 A L H <5S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.857 124.6 27.9 -62.0 -42.4 74.1 14.6 30.8 88 104 A I H <5S- 0 0 34 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.865 138.6 -1.0 -90.0 -43.7 77.8 15.2 31.7 89 105 A N T X5S+ 0 0 97 -4,-2.6 4,-2.5 -5,-0.3 -3,-0.2 0.813 113.0 59.4-117.9 -52.7 79.4 11.7 31.8 90 106 A N H > S+ 0 0 13 -6,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.896 109.8 48.7 -60.5 -45.7 79.4 10.6 26.4 93 109 A T H >X S+ 0 0 82 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.920 112.3 46.9 -58.8 -47.3 81.3 7.6 27.8 94 110 A I H >X S+ 0 0 120 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.916 109.1 57.0 -65.2 -38.6 79.0 5.2 26.1 95 111 A A H 3X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.551 85.2 81.4 -69.0 -14.5 79.3 7.2 22.8 96 112 A K H S+ 0 0 23 -4,-2.4 5,-3.0 2,-0.2 -2,-0.2 0.881 107.9 53.2 -66.8 -39.8 83.0 3.4 8.8 106 122 A L H ><5S+ 0 0 36 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.889 107.2 52.6 -60.8 -37.9 83.0 6.9 7.2 107 123 A Q H 3<5S+ 0 0 163 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.8 49.1 -64.5 -33.3 86.6 6.3 6.3 108 124 A A T 3<5S- 0 0 94 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.268 135.3 -81.1 -91.4 7.6 85.6 3.0 4.6 109 125 A G T < 5S+ 0 0 64 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.452 82.9 134.4 109.1 -1.4 82.8 4.5 2.6 110 126 A A < - 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