==== 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 21-JUN-10 2XHR . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWA . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 78.4 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 . 40 19.2 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 . 0 0.0 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 . 19 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 0 0 0 0 1 0 2 1 0 0 0 0 0 0 1 0 0 0 0 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 1 2 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 0.000 360.0 360.0 360.0 131.3 6.3 27.5 35.4 2 18 A E E -A 156 0A 90 154,-2.8 154,-1.8 2,-0.0 2,-0.4 -0.855 360.0-147.9-104.8 143.3 9.2 25.0 35.4 3 19 A T E +A 155 0A 101 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.942 18.0 178.8-113.1 132.9 11.6 24.7 32.5 4 20 A F E -A 154 0A 50 150,-2.6 150,-2.1 -2,-0.4 2,-0.4 -0.893 24.9-120.9-126.8 159.8 13.2 21.4 31.5 5 21 A A E -A 153 0A 78 -2,-0.3 148,-0.3 148,-0.2 2,-0.2 -0.798 27.4-117.5 -98.5 142.8 15.7 20.3 28.8 6 22 A F - 0 0 11 146,-1.8 87,-0.2 -2,-0.4 86,-0.1 -0.502 40.8-100.3 -70.4 141.2 14.8 17.6 26.2 7 23 A Q >> - 0 0 41 85,-2.4 4,-2.2 -2,-0.2 3,-0.7 -0.413 43.2-107.1 -59.0 140.6 17.1 14.6 26.4 8 24 A A H 3> S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.758 116.9 50.8 -44.8 -35.8 19.6 15.1 23.6 9 25 A E H 3> S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 110.6 49.5 -72.8 -38.1 18.3 12.3 21.3 10 26 A I H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.919 110.0 51.3 -64.8 -42.2 14.7 13.7 21.6 11 27 A A H X S+ 0 0 23 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.892 109.6 50.3 -60.7 -42.9 16.0 17.2 20.8 12 28 A Q H X S+ 0 0 104 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.888 109.0 52.2 -62.4 -39.6 17.7 15.7 17.7 13 29 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.939 109.4 48.6 -61.8 -47.9 14.5 14.0 16.6 14 30 A M H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.821 110.0 51.0 -64.0 -33.4 12.5 17.2 16.8 15 31 A S H X S+ 0 0 71 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.871 111.5 50.6 -69.5 -36.6 15.1 19.2 14.8 16 32 A L H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 111.7 44.2 -63.4 -49.1 14.8 16.4 12.2 17 33 A I H < S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 118.5 46.1 -66.6 -35.5 11.0 16.5 12.0 18 34 A I H < S+ 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.744 122.7 33.0 -77.7 -26.3 11.1 20.3 11.9 19 35 A N H < S+ 0 0 124 -4,-1.5 2,-0.2 -5,-0.1 -2,-0.2 0.608 91.9 99.1-112.3 -11.0 13.9 20.6 9.3 20 36 A T S < S- 0 0 62 -4,-2.1 2,-0.8 -5,-0.1 -4,-0.0 -0.522 74.8-118.4 -81.0 141.5 13.5 17.6 7.0 21 37 A F + 0 0 185 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.743 53.5 146.1 -82.3 106.3 11.8 18.0 3.6 22 38 A Y - 0 0 33 -2,-0.8 3,-0.1 -5,-0.1 -2,-0.0 -0.970 30.0-168.9-145.4 118.4 8.8 15.7 3.7 23 39 A S S S+ 0 0 94 -2,-0.4 2,-1.9 1,-0.2 3,-0.3 0.724 72.9 82.0 -86.0 -21.7 5.6 16.7 1.9 24 40 A N > + 0 0 61 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 -0.427 49.1 144.1 -84.2 66.8 3.4 14.1 3.4 25 41 A K T > + 0 0 39 -2,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.666 45.9 87.4 -76.3 -20.9 2.7 15.9 6.7 26 42 A E T >> + 0 0 21 1,-0.3 3,-1.2 -3,-0.3 4,-0.8 0.604 67.5 81.5 -58.5 -17.8 -1.0 14.8 7.1 27 43 A I H <> S+ 0 0 0 -3,-0.7 4,-2.0 1,-0.2 -1,-0.3 0.726 72.7 79.4 -59.2 -24.3 0.2 11.6 8.9 28 44 A F H <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.871 91.8 50.6 -51.8 -38.4 0.5 13.8 12.1 29 45 A L H <> S+ 0 0 2 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.928 107.3 51.9 -69.6 -42.5 -3.4 13.6 12.6 30 46 A R H X S+ 0 0 47 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.875 110.8 50.4 -57.7 -41.2 -3.3 9.8 12.3 31 47 A E H X S+ 0 0 15 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.822 111.4 44.6 -73.6 -31.6 -0.6 9.7 14.9 32 48 A L H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.916 113.2 52.2 -74.0 -42.5 -2.4 11.9 17.5 33 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.898 109.8 49.3 -61.2 -39.9 -5.7 10.0 16.9 34 50 A S H X S+ 0 0 37 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.891 109.9 50.8 -65.2 -45.2 -3.8 6.7 17.5 35 51 A N H X S+ 0 0 66 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.873 112.0 48.2 -57.2 -45.8 -2.3 8.0 20.8 36 52 A S H X S+ 0 0 4 -4,-2.3 4,-1.2 2,-0.2 3,-0.5 0.962 110.0 50.7 -60.4 -55.0 -5.7 9.1 21.9 37 53 A S H >X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.903 109.8 52.5 -49.0 -42.1 -7.3 5.7 21.0 38 54 A D H 3X S+ 0 0 95 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.823 109.2 47.9 -61.3 -41.5 -4.4 4.0 23.1 39 55 A A H 3X S+ 0 0 20 -4,-1.6 41,-2.5 -3,-0.5 4,-0.7 0.587 112.0 49.8 -73.2 -22.0 -5.1 6.2 26.2 40 56 A L H < S+ 0 0 118 -4,-2.0 3,-1.2 2,-0.2 4,-0.3 0.987 111.2 41.0 -63.4 -54.3 -11.4 1.3 29.5 45 61 A Y H >X S+ 0 0 160 -4,-2.4 3,-3.2 1,-0.3 4,-1.1 0.969 110.3 54.9 -53.6 -64.9 -9.3 -1.6 30.8 46 62 A E T 3< S+ 0 0 53 -4,-1.6 -1,-0.3 1,-0.3 7,-0.2 0.592 106.7 56.8 -47.9 -10.3 -8.5 0.0 34.2 47 63 A S T X4 S+ 0 0 16 -3,-1.2 3,-0.6 -4,-0.3 -1,-0.3 0.487 96.7 60.2-100.4 -10.0 -12.3 0.5 34.6 48 64 A L T <4 S+ 0 0 130 -3,-3.2 2,-0.5 -4,-0.3 -2,-0.2 0.920 111.1 39.2 -79.4 -51.2 -13.2 -3.2 34.2 49 65 A T T 3< S+ 0 0 103 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 -0.292 137.3 20.5 -90.7 41.8 -11.2 -4.3 37.2 50 66 A D X - 0 0 60 -3,-0.6 3,-0.7 -2,-0.5 -1,-0.3 -0.064 60.1-166.0 153.4 103.2 -12.4 -1.1 38.9 51 67 A P G > S+ 0 0 97 0, 0.0 3,-0.8 0, 0.0 -4,-0.1 0.497 79.5 79.5 -86.3 -2.1 -15.6 1.0 37.9 52 68 A S G > S+ 0 0 63 1,-0.2 3,-2.0 2,-0.1 4,-0.2 0.711 75.4 76.0 -74.2 -21.6 -14.6 4.0 40.0 53 69 A K G X S+ 0 0 49 -3,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.742 91.7 54.3 -63.6 -19.8 -12.2 5.2 37.3 54 70 A L G X S+ 0 0 32 -3,-0.8 3,-1.6 1,-0.2 -1,-0.3 0.272 75.8 98.0 -96.8 9.8 -15.1 6.4 35.2 55 71 A D G < S+ 0 0 122 -3,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.686 80.4 59.2 -66.4 -19.5 -16.4 8.5 38.1 56 72 A S G < S- 0 0 37 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.203 134.9 -34.9 -94.1 12.5 -14.6 11.4 36.2 57 73 A G < - 0 0 26 -3,-1.6 -1,-0.3 108,-0.1 -2,-0.1 0.037 48.0-151.3 130.4 116.1 -16.7 10.9 33.0 58 74 A K + 0 0 125 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.740 67.4 100.7 -82.9 -22.5 -18.0 7.7 31.5 59 75 A E - 0 0 117 -5,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.467 55.6-160.9 -70.7 124.8 -17.9 8.8 27.8 60 76 A L + 0 0 33 -2,-0.3 2,-0.3 17,-0.1 19,-0.1 -0.909 36.8 122.4-108.4 106.3 -14.9 7.5 25.8 61 77 A H - 0 0 54 -2,-0.7 17,-1.3 139,-0.2 2,-0.4 -0.947 52.4-120.0-157.4 176.7 -14.4 9.6 22.7 62 78 A I E -Bc 77 202A 0 139,-2.9 141,-2.5 -2,-0.3 2,-0.4 -0.995 21.9-166.7-128.7 127.2 -12.3 11.8 20.4 63 79 A N E -Bc 76 203A 25 13,-2.8 13,-2.5 -2,-0.4 2,-0.5 -0.894 8.3-154.9-118.2 141.7 -13.1 15.4 19.4 64 80 A L E -Bc 75 204A 1 139,-3.1 141,-3.0 -2,-0.4 11,-0.2 -0.978 14.8-176.0-117.8 114.1 -11.4 17.4 16.6 65 81 A I E -B 74 0A 50 9,-3.0 9,-1.3 -2,-0.5 2,-0.1 -0.772 3.3-171.0-119.8 94.5 -11.7 21.1 17.1 66 82 A P E -B 73 0A 8 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.427 0.9-169.1 -83.6 152.1 -10.4 23.4 14.5 67 83 A N E >> -B 72 0A 43 5,-2.3 5,-1.7 1,-0.1 4,-1.7 -0.821 12.9-176.4-143.1 98.9 -10.1 27.2 15.2 68 84 A K T 45S+ 0 0 104 -2,-0.3 -1,-0.1 3,-0.2 5,-0.0 0.854 86.5 56.7 -64.9 -31.6 -9.4 29.5 12.3 69 85 A Q T 45S+ 0 0 149 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.965 119.2 29.1 -61.7 -57.8 -9.3 32.5 14.6 70 86 A D T 45S- 0 0 111 2,-0.1 -1,-0.2 -4,-0.0 -2,-0.2 0.612 104.1-129.1 -77.9 -15.1 -6.6 31.1 16.9 71 87 A R T <5 + 0 0 76 -4,-1.7 103,-1.4 1,-0.3 2,-0.3 0.913 64.4 130.1 62.6 44.2 -5.1 29.1 14.0 72 88 A T E < -BD 67 173A 9 -5,-1.7 -5,-2.3 101,-0.2 2,-0.4 -0.936 48.8-157.3-126.7 152.0 -5.1 25.9 16.2 73 89 A L E -BD 66 172A 1 99,-1.5 99,-2.3 -2,-0.3 2,-0.5 -0.999 19.7-162.0-125.1 122.5 -6.4 22.3 15.6 74 90 A T E -BD 65 171A 16 -9,-1.3 -9,-3.0 -2,-0.4 2,-0.5 -0.965 10.1-162.2-113.6 127.3 -7.1 20.6 19.0 75 91 A I E -BD 64 170A 1 95,-1.9 95,-2.5 -2,-0.5 2,-0.4 -0.956 19.3-174.3-101.9 120.1 -7.4 16.8 19.3 76 92 A V E +BD 63 169A 22 -13,-2.5 -13,-2.8 -2,-0.5 2,-0.3 -0.963 7.0 178.4-121.2 138.6 -9.2 16.0 22.7 77 93 A D E -BD 62 168A 7 91,-2.4 91,-1.3 -2,-0.4 -15,-0.2 -0.933 33.6-138.7-132.5 157.3 -9.8 12.6 24.2 78 94 A T + 0 0 26 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.271 63.6 133.7-103.6 39.5 -11.4 11.4 27.5 79 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -42,-0.1 0.191 76.4 -70.7 -73.6-165.3 -8.6 8.8 27.9 80 96 A I - 0 0 12 -41,-2.5 59,-0.5 1,-0.1 87,-0.2 0.793 66.6-155.0 -64.3 -31.5 -6.5 8.0 30.9 81 97 A G - 0 0 6 85,-0.2 2,-0.3 57,-0.1 57,-0.2 -0.186 17.0 -82.8 80.5-178.2 -4.5 11.2 31.0 82 98 A M - 0 0 31 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.980 24.9-139.8-131.3 143.1 -1.0 11.8 32.5 83 99 A T > - 0 0 22 -2,-0.3 4,-2.2 54,-0.1 5,-0.2 -0.400 46.5 -91.0 -85.4 171.9 0.2 12.6 36.0 84 100 A K H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 128.2 49.5 -53.0 -40.4 3.0 15.2 36.5 85 101 A A H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.892 108.8 48.5 -66.7 -47.1 5.6 12.4 36.2 86 102 A D H >>S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.6 0.949 111.9 51.8 -57.0 -49.2 4.3 10.7 33.1 87 103 A L H X5S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 5,-0.4 0.939 117.2 37.4 -51.6 -55.1 4.1 14.1 31.4 88 104 A I H X5S+ 0 0 26 -4,-2.1 4,-1.2 -5,-0.2 5,-0.2 0.910 124.4 36.9 -67.1 -48.5 7.7 15.0 32.2 89 105 A N H X>S+ 0 0 76 -4,-2.8 5,-3.3 3,-0.2 4,-2.3 0.953 119.9 45.8 -74.2 -52.3 9.4 11.7 31.8 90 106 A N H <>S+ 0 0 71 -4,-2.1 5,-1.0 -5,-0.5 3,-0.4 0.979 119.7 36.5 -50.1 -81.7 7.4 10.4 28.8 91 107 A L H <<5S+ 0 0 66 -4,-2.3 3,-1.1 -3,-0.4 -3,-0.2 0.613 115.3 54.8-132.1 -50.9 13.3 11.8 28.7 94 110 A I T > S+ 0 0 78 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.911 80.1 46.3 -56.1 -49.5 15.0 8.2 24.1 97 113 A S H <> S+ 0 0 83 -3,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.905 114.9 46.6 -63.1 -44.9 14.9 4.5 23.3 98 114 A G H > S+ 0 0 13 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.856 110.4 51.5 -67.2 -40.2 12.2 4.9 20.7 99 115 A T H X S+ 0 0 1 -4,-2.5 4,-3.8 2,-0.2 5,-0.3 0.890 112.3 46.8 -63.0 -44.6 13.8 7.9 18.9 100 116 A K H X S+ 0 0 85 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.977 113.1 49.0 -60.9 -52.4 17.1 5.9 18.7 101 117 A A H < S+ 0 0 45 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.841 118.5 42.3 -54.6 -37.5 15.1 2.9 17.4 102 118 A F H >X S+ 0 0 1 -4,-2.3 3,-1.6 2,-0.2 4,-1.4 0.968 115.2 44.0 -74.2 -62.3 13.4 5.2 14.9 103 119 A M H 3X S+ 0 0 57 -4,-3.8 4,-1.6 1,-0.3 -2,-0.2 0.827 113.2 55.7 -53.4 -31.0 16.4 7.4 13.7 104 120 A E H 3< S+ 0 0 123 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.729 110.1 45.9 -70.8 -26.6 18.4 4.1 13.5 105 121 A A H <4>S+ 0 0 24 -3,-1.6 5,-2.5 -4,-0.3 3,-0.4 0.605 104.7 60.0 -91.3 -19.7 15.6 2.7 11.2 106 122 A L H ><5S+ 0 0 21 -4,-1.4 2,-2.3 1,-0.3 3,-1.3 0.955 103.6 50.7 -72.4 -51.0 15.4 5.9 9.0 107 123 A Q T 3<5S+ 0 0 161 -4,-1.6 -1,-0.3 1,-0.3 4,-0.1 -0.552 111.7 53.2 -83.8 66.4 19.1 5.5 8.0 108 124 A A T 3 5S- 0 0 84 -2,-2.3 -1,-0.3 -3,-0.4 -2,-0.1 0.232 135.9 -63.6 173.6 17.6 18.3 1.9 7.1 109 125 A G T < 5S+ 0 0 79 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.192 92.0 123.3 109.5 -15.7 15.2 2.1 4.8 110 126 A A < - 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