==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 07-MAY-10 2XDS . 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 . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 78.3 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 . 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 0 131 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 114.5 8.1 27.2 35.2 2 18 A E E -A 156 0A 93 154,-2.8 154,-2.2 2,-0.0 2,-0.4 -0.787 360.0-151.1 -99.0 141.0 10.9 24.6 34.9 3 19 A T E -A 155 0A 99 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.934 16.4-177.7-114.4 131.3 13.0 24.5 31.7 4 20 A F E -A 154 0A 47 150,-3.1 150,-2.5 -2,-0.4 2,-0.4 -0.913 24.9-122.9-126.6 155.7 14.6 21.2 30.6 5 21 A A E -A 153 0A 80 -2,-0.3 148,-0.3 148,-0.2 3,-0.1 -0.805 28.9-122.2 -94.3 137.6 16.9 20.2 27.7 6 22 A F - 0 0 21 146,-2.2 82,-0.0 -2,-0.4 -1,-0.0 -0.416 41.2 -94.4 -68.2 152.3 15.6 17.4 25.4 7 23 A Q >> - 0 0 66 1,-0.1 4,-2.5 -2,-0.1 3,-0.6 -0.375 41.7-107.6 -61.7 148.1 18.0 14.5 25.2 8 24 A A H 3> S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.855 117.9 52.1 -49.6 -42.7 20.4 14.9 22.3 9 25 A E H 3> S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 111.6 47.1 -65.1 -36.1 18.8 12.2 20.1 10 26 A I H <> S+ 0 0 2 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.900 110.2 51.6 -70.6 -41.0 15.4 13.7 20.6 11 27 A A H X S+ 0 0 27 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 110.6 50.5 -61.0 -41.5 16.6 17.2 19.8 12 28 A Q H X S+ 0 0 124 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.906 109.1 50.3 -64.0 -41.7 18.2 15.8 16.6 13 29 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.922 111.5 48.5 -61.8 -45.5 14.9 14.1 15.6 14 30 A M H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.906 110.3 50.7 -63.9 -39.8 13.0 17.4 16.1 15 31 A S H X S+ 0 0 62 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.930 110.4 50.4 -61.9 -44.3 15.6 19.3 14.0 16 32 A L H X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.903 111.0 48.6 -59.0 -44.5 15.3 16.7 11.2 17 33 A I H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.8 42.5 -63.4 -39.8 11.5 17.0 11.3 18 34 A I H < S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.887 122.3 37.6 -75.3 -38.8 11.7 20.8 11.2 19 35 A N H < S+ 0 0 123 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.713 89.7 97.1 -90.9 -23.2 14.4 21.0 8.6 20 36 A T S < S- 0 0 64 -4,-2.5 2,-0.5 -5,-0.2 -4,-0.0 -0.448 75.9-121.2 -70.6 139.1 13.8 18.2 6.1 21 37 A F + 0 0 180 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.705 53.3 147.2 -78.6 122.8 11.9 19.0 2.9 22 38 A Y - 0 0 32 -2,-0.5 3,-0.2 105,-0.1 -2,-0.0 -0.772 31.1-168.3-162.8 107.0 8.8 16.8 3.0 23 39 A S S S+ 0 0 92 -2,-0.2 2,-1.9 1,-0.2 3,-0.3 0.713 71.2 84.2 -77.4 -22.9 5.5 17.8 1.6 24 40 A N > + 0 0 66 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.261 49.7 145.8 -79.9 52.1 3.3 15.0 3.1 25 41 A K T > + 0 0 36 -2,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.714 46.4 84.9 -62.1 -26.2 2.8 16.9 6.4 26 42 A E T >> + 0 0 17 -3,-0.3 3,-1.5 1,-0.3 4,-0.7 0.630 67.5 83.1 -54.7 -21.5 -0.8 15.7 7.1 27 43 A I H <> S+ 0 0 0 -3,-1.1 4,-2.0 1,-0.3 -1,-0.3 0.725 71.5 78.5 -58.7 -21.1 0.5 12.5 8.7 28 44 A F H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.873 91.5 53.0 -55.3 -38.3 1.0 14.5 12.0 29 45 A L H <> S+ 0 0 1 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.930 106.6 49.0 -66.8 -45.8 -2.8 14.2 12.6 30 46 A R H X S+ 0 0 59 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.887 112.4 51.9 -55.0 -44.7 -3.0 10.4 12.1 31 47 A E H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 110.8 44.2 -62.9 -46.3 -0.1 10.1 14.5 32 48 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.886 114.1 50.6 -66.5 -38.8 -1.6 12.3 17.3 33 49 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.929 109.3 51.1 -65.3 -40.9 -5.0 10.5 17.0 34 50 A S H X S+ 0 0 43 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.898 109.5 50.9 -61.2 -41.8 -3.3 7.1 17.2 35 51 A N H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.919 110.0 49.6 -61.9 -44.2 -1.5 8.3 20.4 36 52 A S H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.936 109.1 52.6 -58.0 -47.4 -4.9 9.4 21.8 37 53 A S H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.882 108.8 49.1 -57.4 -41.0 -6.4 6.0 21.0 38 54 A D H X S+ 0 0 71 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.886 110.3 51.6 -67.0 -37.8 -3.5 4.2 22.8 39 55 A A H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 41,-1.7 0.845 111.1 47.7 -66.5 -35.1 -4.0 6.4 25.9 40 56 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 39,-0.3 5,-0.2 0.906 108.4 54.1 -73.8 -39.0 -7.7 5.7 25.9 41 57 A D H X S+ 0 0 64 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.906 108.4 53.0 -57.4 -42.8 -7.0 1.9 25.5 42 58 A K H X S+ 0 0 113 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.929 111.6 40.5 -60.9 -52.3 -4.8 2.2 28.6 43 59 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.871 114.4 54.9 -64.8 -38.5 -7.3 3.8 31.0 44 60 A R H X S+ 0 0 124 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.946 110.9 45.2 -61.4 -44.4 -10.0 1.5 29.6 45 61 A Y H >X S+ 0 0 170 -4,-2.4 3,-1.2 -5,-0.2 4,-0.6 0.930 112.9 48.7 -64.9 -47.4 -7.9 -1.5 30.4 46 62 A E H >X S+ 0 0 61 -4,-2.3 4,-1.5 1,-0.3 3,-0.8 0.835 103.9 62.5 -62.8 -32.0 -6.9 -0.4 33.9 47 63 A S H 3< S+ 0 0 14 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.702 89.9 68.9 -67.7 -18.0 -10.5 0.5 34.7 48 64 A L H << S+ 0 0 133 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.877 112.0 30.4 -67.8 -34.8 -11.4 -3.2 34.3 49 65 A T H << S+ 0 0 124 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.666 136.1 28.1 -96.2 -17.6 -9.5 -4.0 37.5 50 66 A D >< - 0 0 63 -4,-1.5 3,-2.1 1,-0.1 -1,-0.2 -0.734 63.4-178.0-143.6 84.7 -10.1 -0.6 39.2 51 67 A P G > S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.767 78.2 73.1 -57.4 -25.1 -13.4 1.0 38.1 52 68 A S G > S+ 0 0 60 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.674 76.0 80.8 -66.4 -12.6 -12.7 4.0 40.3 53 69 A K G < S+ 0 0 51 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.703 89.4 55.2 -65.6 -14.5 -10.0 5.0 37.8 54 70 A L G X S+ 0 0 32 -3,-2.0 3,-1.9 1,-0.2 -1,-0.3 0.292 75.1 98.4 -99.5 11.4 -13.0 6.4 35.8 55 71 A D T < S+ 0 0 134 -3,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.774 81.2 58.1 -69.3 -21.0 -14.1 8.6 38.7 56 72 A S T 3 S- 0 0 37 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.287 133.2 -28.6 -89.8 9.2 -12.3 11.4 36.9 57 73 A G < - 0 0 23 -3,-1.9 -1,-0.3 108,-0.1 -2,-0.1 -0.064 43.0-156.2 141.1 120.4 -14.4 10.8 33.8 58 74 A K + 0 0 172 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.734 69.1 94.3 -84.6 -28.3 -16.3 7.9 32.2 59 75 A E - 0 0 134 -5,-0.1 2,-0.5 1,-0.0 0, 0.0 -0.474 55.4-163.6 -71.6 138.9 -16.4 9.2 28.6 60 76 A L + 0 0 33 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.970 35.9 125.0-125.2 107.7 -13.6 7.9 26.3 61 77 A H - 0 0 33 -2,-0.5 17,-1.5 139,-0.2 2,-0.4 -0.966 51.0-126.2-158.3 168.8 -13.4 10.1 23.2 62 78 A I E -Bc 77 202A 0 139,-2.2 141,-2.6 -2,-0.3 2,-0.4 -0.997 20.9-167.3-125.7 128.1 -11.2 12.2 20.9 63 79 A N E -Bc 76 203A 26 13,-2.6 13,-3.2 -2,-0.4 2,-0.5 -0.954 8.3-156.4-119.2 137.7 -12.1 15.8 19.9 64 80 A L E -Bc 75 204A 0 139,-2.8 141,-2.6 -2,-0.4 11,-0.2 -0.963 16.6-173.4-111.5 120.7 -10.4 17.8 17.2 65 81 A I E -B 74 0A 51 9,-3.1 9,-2.4 -2,-0.5 2,-0.3 -0.905 7.1-167.7-127.1 104.1 -10.8 21.6 17.7 66 82 A P E -B 73 0A 8 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.637 2.2-173.1 -88.3 149.0 -9.6 24.1 15.2 67 83 A N E >> -B 72 0A 44 5,-2.3 5,-1.9 -2,-0.3 4,-1.1 -0.808 6.7-174.3-143.6 94.6 -9.5 27.8 16.2 68 84 A K T 45S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.856 84.5 56.1 -60.2 -37.2 -8.7 30.2 13.3 69 85 A Q T 45S+ 0 0 175 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.900 118.9 31.7 -62.3 -44.3 -8.4 33.3 15.5 70 86 A D T 45S- 0 0 98 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.510 104.8-131.3 -87.5 -11.4 -5.8 31.7 17.7 71 87 A R T <5 + 0 0 79 -4,-1.1 103,-2.1 1,-0.2 2,-0.4 0.900 61.4 132.3 56.6 46.9 -4.4 29.7 14.8 72 88 A T E < -BD 67 173A 10 -5,-1.9 -5,-2.3 101,-0.2 2,-0.4 -0.951 47.5-157.8-124.3 153.6 -4.3 26.4 16.8 73 89 A L E -BD 66 172A 1 99,-1.7 99,-2.8 -2,-0.4 2,-0.5 -1.000 21.3-160.1-125.0 121.2 -5.5 22.9 16.1 74 90 A T E -BD 65 171A 19 -9,-2.4 -9,-3.1 -2,-0.4 2,-0.6 -0.925 11.0-160.7-111.5 128.7 -6.2 21.0 19.4 75 91 A I E -BD 64 170A 1 95,-2.5 95,-3.3 -2,-0.5 2,-0.4 -0.953 19.7-174.1-106.3 114.0 -6.3 17.2 19.7 76 92 A V E +BD 63 169A 14 -13,-3.2 -13,-2.6 -2,-0.6 2,-0.3 -0.901 8.1 172.1-111.0 138.0 -8.1 16.4 23.0 77 93 A D E -BD 62 168A 7 91,-2.7 91,-1.5 -2,-0.4 -15,-0.2 -0.946 34.5-141.5-138.6 159.2 -8.6 12.9 24.5 78 94 A T + 0 0 22 -17,-1.5 89,-0.2 -2,-0.3 -16,-0.1 -0.235 62.4 128.1-106.4 40.3 -9.9 11.6 27.8 79 95 A G S S- 0 0 0 89,-0.1 -39,-0.3 -18,-0.1 -40,-0.1 0.095 79.8 -63.9 -78.5-158.8 -7.2 8.8 27.9 80 96 A I - 0 0 18 -41,-1.7 59,-0.6 1,-0.1 87,-0.2 0.705 69.2-148.0 -65.7 -24.8 -4.9 8.0 30.7 81 97 A G - 0 0 5 57,-0.2 2,-0.4 85,-0.2 57,-0.2 -0.124 17.2 -82.7 78.8 178.4 -3.0 11.2 30.7 82 98 A M - 0 0 36 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.974 28.8-139.2-127.3 139.5 0.7 11.8 31.6 83 99 A T > - 0 0 25 -2,-0.4 4,-2.1 54,-0.1 5,-0.1 -0.322 35.4-103.4 -82.2 172.6 2.4 12.3 34.9 84 100 A K H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.909 124.4 55.8 -62.9 -38.9 5.2 14.8 35.5 85 101 A A H >>S+ 0 0 46 1,-0.2 5,-2.5 2,-0.2 4,-2.1 0.885 105.9 50.9 -61.4 -40.2 7.7 11.9 35.3 86 102 A D H 4>S+ 0 0 37 3,-0.2 5,-2.0 4,-0.2 6,-0.5 0.957 113.5 45.8 -57.3 -54.9 6.4 11.0 31.9 87 103 A L H <5S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 121.4 33.6 -57.7 -49.8 6.7 14.6 30.6 88 104 A I H <5S- 0 0 38 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.770 139.4 -10.6 -83.4 -24.6 10.2 15.3 31.9 89 105 A N T X5S+ 0 0 91 -4,-2.1 4,-2.6 -5,-0.3 -3,-0.2 0.659 115.1 60.5-136.1 -58.7 11.8 11.9 31.6 90 106 A N H > S+ 0 0 16 -6,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.887 112.1 53.2 -66.7 -39.8 11.8 10.9 26.1 93 109 A T H >X S+ 0 0 75 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.946 111.1 45.1 -59.0 -48.1 13.7 7.9 27.5 94 110 A I H 3X S+ 0 0 118 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.847 108.1 58.5 -66.4 -33.8 11.5 5.4 25.8 95 111 A A H 3X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.642 86.3 81.9 -73.0 -12.2 11.6 7.4 22.5 96 112 A K H X S+ 0 0 104 -4,-2.2 4,-1.5 -5,-0.2 3,-0.5 0.949 109.9 50.4 -69.4 -46.7 18.8 4.8 10.7 105 121 A A H 3<>S+ 0 0 24 -4,-2.7 5,-2.5 1,-0.2 -2,-0.2 0.862 106.0 57.3 -57.5 -38.2 15.9 3.7 8.5 106 122 A L H ><5S+ 0 0 37 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.856 105.9 48.3 -63.8 -36.9 15.7 7.2 7.0 107 123 A Q H <<5S+ 0 0 182 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.792 110.6 54.9 -71.7 -26.4 19.4 6.9 5.9 108 124 A A T 3<5S- 0 0 87 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.170 133.5 -81.0 -99.3 37.2 18.5 3.5 4.4 109 125 A G T < 5S+ 0 0 69 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.116 85.9 130.0 93.8 -24.9 15.5 4.7 2.3 110 126 A A < - 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