==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 05-JUN-12 4AWP . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.LOUGHEED,T.J.STOUT . 408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 0.2 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 . 29 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 4 2 4 0 2 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 2 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 0 116 0, 0.0 2,-0.4 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 123.3 -18.4 -28.0 -34.6 2 18 A E E -A 154 0A 91 152,-2.3 152,-2.2 2,-0.0 2,-0.4 -0.868 360.0-154.1-106.0 134.3 -17.6 -24.3 -35.1 3 19 A T E -A 153 0A 91 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.919 14.7-177.0-109.6 137.7 -14.0 -23.2 -35.9 4 20 A F E -A 152 0A 54 148,-2.8 148,-2.3 -2,-0.4 2,-0.3 -0.959 25.8-119.5-131.5 147.9 -12.8 -19.7 -35.1 5 21 A A E -A 151 0A 84 -2,-0.3 146,-0.3 146,-0.2 3,-0.1 -0.697 36.7-115.0 -81.7 143.0 -9.6 -17.6 -35.5 6 22 A F - 0 0 21 144,-2.1 -1,-0.1 -2,-0.3 2,-0.0 -0.347 40.2 -87.3 -66.5 151.6 -7.9 -16.3 -32.4 7 23 A Q > - 0 0 74 1,-0.1 4,-2.7 4,-0.0 3,-0.4 -0.357 46.6-112.7 -47.9 136.7 -7.7 -12.6 -31.7 8 24 A A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.856 116.8 49.6 -47.8 -45.6 -4.5 -11.5 -33.4 9 25 A E H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.800 111.0 50.4 -69.0 -36.3 -2.7 -10.7 -30.1 10 26 A I H > S+ 0 0 1 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.894 109.5 49.6 -66.2 -46.8 -3.7 -14.1 -28.7 11 27 A A H X S+ 0 0 25 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.961 112.9 49.9 -55.1 -45.7 -2.3 -15.9 -31.9 12 28 A Q H X S+ 0 0 108 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.937 111.9 46.5 -55.1 -53.7 0.8 -13.8 -31.4 13 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.904 110.0 52.6 -58.0 -48.3 1.1 -14.7 -27.7 14 30 A M H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.905 110.0 48.4 -61.3 -40.5 0.6 -18.4 -28.3 15 31 A S H X S+ 0 0 59 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.909 110.0 51.7 -63.4 -42.2 3.3 -18.6 -31.0 16 32 A L H X S+ 0 0 23 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.921 113.5 45.8 -59.5 -47.1 5.8 -16.7 -28.7 17 33 A I H < S+ 0 0 3 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.867 118.6 40.7 -60.9 -43.3 5.0 -19.2 -25.9 18 34 A I H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.835 118.5 43.1 -76.6 -34.0 5.3 -22.3 -28.2 19 35 A N H < S+ 0 0 124 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 0.264 102.4 69.5-105.0 5.3 8.3 -21.3 -30.3 20 36 A T S < S- 0 0 70 -4,-0.6 2,-0.4 -3,-0.3 0, 0.0 -0.967 82.5-116.2-123.5 139.3 10.7 -19.9 -27.6 21 37 A F + 0 0 158 -2,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.641 33.9 178.3 -76.5 134.6 12.5 -21.9 -24.9 22 38 A Y - 0 0 30 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.998 17.7-158.2-133.4 131.6 11.5 -21.0 -21.3 23 39 A S S S+ 0 0 104 -2,-0.4 2,-1.9 1,-0.2 3,-0.3 0.899 81.7 63.1 -71.0 -45.1 13.0 -22.8 -18.3 24 40 A N > + 0 0 45 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 -0.329 58.8 144.1 -92.6 52.7 10.4 -22.2 -15.5 25 41 A K T > + 0 0 24 -2,-1.9 3,-2.3 -3,-0.3 -1,-0.2 0.726 50.6 82.7 -63.5 -26.6 7.5 -24.0 -17.2 26 42 A E T >> S+ 0 0 17 -3,-0.3 3,-1.7 1,-0.3 4,-0.7 0.728 71.3 79.8 -56.9 -21.4 6.1 -25.4 -14.0 27 43 A I H <> S+ 0 0 0 -3,-1.2 4,-2.3 1,-0.3 -1,-0.3 0.678 72.1 80.8 -60.5 -16.7 4.2 -22.0 -13.4 28 44 A F H <> S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.880 92.1 50.4 -54.9 -38.2 1.6 -23.3 -15.9 29 45 A L H <> S+ 0 0 2 -3,-1.7 4,-2.7 -4,-0.2 -1,-0.2 0.925 106.7 53.1 -71.9 -41.4 0.1 -25.3 -13.0 30 46 A R H X S+ 0 0 55 -4,-0.7 4,-2.9 1,-0.2 -2,-0.2 0.915 110.4 49.4 -50.5 -45.9 0.0 -22.2 -10.7 31 47 A E H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 111.2 46.6 -64.1 -45.4 -1.9 -20.3 -13.4 32 48 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.887 115.5 47.3 -63.3 -46.3 -4.5 -23.0 -14.0 33 49 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.922 110.5 51.5 -60.2 -46.6 -5.0 -23.3 -10.2 34 50 A S H X S+ 0 0 42 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.903 109.6 50.7 -56.9 -46.3 -5.2 -19.5 -9.8 35 51 A N H X S+ 0 0 67 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.897 110.4 49.3 -56.4 -46.6 -8.0 -19.4 -12.6 36 52 A S H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 109.8 50.7 -56.8 -48.1 -9.9 -22.2 -10.8 37 53 A S H X S+ 0 0 13 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.908 111.4 49.6 -58.7 -42.4 -9.7 -20.3 -7.4 38 54 A D H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.924 111.5 47.4 -63.5 -46.1 -11.0 -17.1 -9.1 39 55 A A H X S+ 0 0 16 -4,-2.4 4,-1.9 2,-0.2 41,-1.7 0.812 112.3 51.1 -62.0 -36.6 -13.9 -19.1 -10.7 40 56 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 39,-0.3 5,-0.2 0.933 108.5 50.6 -68.5 -48.1 -14.6 -20.7 -7.2 41 57 A D H X S+ 0 0 49 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.928 109.0 54.0 -49.1 -45.2 -14.7 -17.2 -5.6 42 58 A K H X S+ 0 0 118 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.939 112.8 39.6 -65.8 -44.5 -17.1 -16.0 -8.3 43 59 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.920 115.0 53.4 -69.3 -40.2 -19.7 -18.8 -7.8 44 60 A R H X S+ 0 0 84 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.922 109.5 49.5 -58.2 -47.6 -19.3 -18.6 -3.9 45 61 A Y H >X S+ 0 0 84 -4,-2.8 3,-1.1 -5,-0.2 4,-0.8 0.919 110.8 48.7 -54.5 -50.6 -20.0 -14.9 -4.1 46 62 A E H >X S+ 0 0 59 -4,-2.0 4,-1.5 1,-0.2 3,-0.9 0.902 105.7 59.6 -58.2 -40.1 -23.1 -15.4 -6.2 47 63 A S H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.634 92.8 66.2 -66.1 -21.2 -24.3 -18.1 -3.8 48 64 A L H << S+ 0 0 88 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.889 111.1 34.5 -64.6 -40.8 -24.3 -15.7 -0.8 49 65 A T H << S+ 0 0 123 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.733 136.8 21.3 -81.9 -30.3 -27.2 -13.7 -2.4 50 66 A D >< - 0 0 66 -4,-1.5 3,-2.1 1,-0.1 -1,-0.3 -0.785 61.2-169.0-149.2 91.0 -28.9 -16.7 -4.0 51 67 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.725 83.3 75.0 -57.3 -24.4 -28.2 -20.2 -2.5 52 68 A S G > S+ 0 0 55 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.716 73.4 83.1 -65.5 -15.2 -29.9 -21.8 -5.5 53 69 A K G < S+ 0 0 46 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.729 90.1 54.1 -53.1 -23.2 -26.7 -20.9 -7.5 54 70 A L G X S+ 0 0 30 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.284 71.4 102.3-100.2 10.4 -25.4 -24.2 -5.9 55 71 A D T < S+ 0 0 145 -3,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.795 80.6 59.5 -57.3 -29.0 -28.3 -26.4 -7.1 56 72 A S T 3 S- 0 0 31 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.251 133.8 -34.3 -84.4 9.9 -25.7 -27.6 -9.7 57 73 A G < - 0 0 26 -3,-2.0 -1,-0.3 106,-0.1 -2,-0.1 -0.098 45.0-148.7 134.3 124.4 -23.3 -28.7 -6.9 58 74 A K + 0 0 165 -3,-0.2 2,-0.1 -2,-0.1 -3,-0.1 0.797 69.3 96.5 -83.1 -32.0 -22.5 -27.5 -3.4 59 75 A E - 0 0 125 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.351 55.9-159.4 -67.9 138.2 -18.8 -28.6 -3.1 60 76 A L + 0 0 37 -2,-0.1 2,-0.3 17,-0.1 19,-0.1 -0.926 38.6 122.8-121.9 103.2 -16.2 -26.0 -3.9 61 77 A H - 0 0 48 -2,-0.6 17,-1.2 137,-0.2 2,-0.4 -0.962 52.1-125.6-156.7 169.0 -12.9 -27.6 -4.9 62 78 A I E -Bc 77 200A 0 137,-2.3 139,-2.4 -2,-0.3 2,-0.4 -0.994 23.3-165.8-125.5 128.0 -10.0 -28.2 -7.3 63 79 A N E -Bc 76 201A 21 13,-3.0 13,-3.2 -2,-0.4 2,-0.5 -0.924 8.8-154.5-117.6 138.9 -8.9 -31.7 -8.5 64 80 A L E -Bc 75 202A 3 137,-2.9 139,-2.8 -2,-0.4 11,-0.2 -0.957 14.2-175.4-113.5 124.2 -5.6 -32.7 -10.3 65 81 A I E -B 74 0A 53 9,-2.9 9,-2.1 -2,-0.5 2,-0.3 -0.874 2.1-171.6-130.6 87.7 -6.0 -35.8 -12.5 66 82 A P E -B 73 0A 6 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.651 1.7-170.4 -78.0 148.4 -2.8 -37.1 -14.2 67 83 A N E >> -B 72 0A 38 5,-2.6 5,-1.8 -2,-0.3 4,-1.1 -0.848 10.3-177.3-140.5 99.2 -3.1 -39.9 -16.7 68 84 A K T 45S+ 0 0 117 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.922 85.8 55.7 -60.7 -44.8 0.2 -41.5 -17.9 69 85 A Q T 45S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.862 119.3 31.5 -58.3 -40.2 -1.6 -43.9 -20.4 70 86 A D T 45S- 0 0 106 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.549 103.4-129.7 -87.8 -10.5 -3.4 -41.0 -22.2 71 87 A R T <5 + 0 0 83 -4,-1.1 101,-1.9 -3,-0.4 2,-0.4 0.911 63.6 134.2 49.5 47.5 -0.5 -38.5 -21.5 72 88 A T E < -BD 67 171A 13 -5,-1.8 -5,-2.6 99,-0.2 2,-0.4 -0.975 45.0-162.2-121.8 141.5 -3.0 -36.0 -20.1 73 89 A L E -BD 66 170A 1 97,-2.0 97,-2.9 -2,-0.4 2,-0.5 -0.993 17.6-166.0-113.9 125.6 -3.0 -33.8 -17.0 74 90 A T E -BD 65 169A 18 -9,-2.1 -9,-2.9 -2,-0.4 2,-0.6 -0.935 10.8-160.9-119.6 123.6 -6.5 -32.5 -16.2 75 91 A I E -BD 64 168A 0 93,-2.3 93,-2.7 -2,-0.5 2,-0.4 -0.961 19.0-170.7-103.8 117.0 -7.3 -29.6 -13.7 76 92 A V E +BD 63 167A 17 -13,-3.2 -13,-3.0 -2,-0.6 2,-0.3 -0.891 10.0 170.3-114.7 138.8 -10.9 -29.8 -12.6 77 93 A D E -BD 62 166A 8 89,-2.2 89,-1.1 -2,-0.4 -15,-0.2 -0.941 36.7-137.6-143.5 160.1 -12.9 -27.3 -10.5 78 94 A T + 0 0 23 -17,-1.2 87,-0.2 -2,-0.3 -16,-0.1 -0.237 61.9 133.5-107.7 38.6 -16.5 -26.6 -9.5 79 95 A G S S- 0 0 0 87,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.081 78.0 -74.0 -73.3-167.6 -16.3 -22.9 -10.2 80 96 A I - 0 0 21 -41,-1.7 57,-0.5 1,-0.2 85,-0.2 0.749 68.1-156.8 -65.3 -27.3 -18.7 -20.6 -12.1 81 97 A G - 0 0 6 55,-0.2 2,-0.3 83,-0.1 -1,-0.2 -0.265 17.9 -76.8 74.8-171.0 -17.6 -22.0 -15.5 82 98 A M - 0 0 40 83,-0.3 54,-0.4 60,-0.1 60,-0.2 -0.966 30.6-135.9-131.1 145.3 -17.9 -20.3 -18.9 83 99 A T > - 0 0 27 -2,-0.3 4,-1.8 52,-0.1 5,-0.2 -0.379 37.7 -99.6 -86.3 172.5 -20.8 -19.7 -21.3 84 100 A K H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.925 125.9 55.0 -61.2 -38.5 -20.6 -20.2 -25.0 85 101 A A H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.895 105.9 52.1 -62.0 -43.6 -20.2 -16.4 -25.5 86 102 A D H > S+ 0 0 45 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 110.3 49.4 -51.3 -45.8 -17.1 -16.6 -23.1 87 103 A L H < S+ 0 0 11 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.788 120.2 34.9 -71.6 -26.5 -15.6 -19.4 -25.2 88 104 A I H < S+ 0 0 48 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.908 129.5 30.2 -91.7 -51.0 -16.1 -17.5 -28.5 89 105 A N H < S- 0 0 127 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.486 106.8-127.1 -84.5 -9.4 -15.5 -13.8 -27.5 90 106 A N < - 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