==== 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 4AWQ . 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) . 19145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 72.8 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 . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.0 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 1 0 1 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 0 115 0, 0.0 2,-0.5 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 123.6 -11.7 -4.0 -16.5 2 18 A E E -A 154 0A 89 152,-2.5 152,-2.3 2,-0.0 2,-0.4 -0.882 360.0-154.2-104.1 134.2 -11.0 -0.3 -17.1 3 19 A T E -A 153 0A 97 -2,-0.5 2,-0.3 150,-0.2 150,-0.2 -0.918 13.6-174.5-113.5 134.8 -7.4 0.8 -17.8 4 20 A F E -A 152 0A 54 148,-2.9 148,-2.3 -2,-0.4 2,-0.3 -0.928 24.7-120.8-126.7 147.0 -6.2 4.3 -17.0 5 21 A A E -A 151 0A 83 -2,-0.3 146,-0.3 146,-0.2 3,-0.1 -0.693 38.0-112.7 -78.6 141.2 -3.0 6.4 -17.5 6 22 A F - 0 0 19 144,-2.4 -1,-0.1 -2,-0.3 2,-0.0 -0.343 39.1 -91.0 -66.1 151.1 -1.3 7.6 -14.4 7 23 A Q >> - 0 0 82 1,-0.1 4,-2.4 4,-0.0 3,-0.5 -0.407 47.4-111.4 -50.8 139.1 -1.2 11.4 -13.7 8 24 A A H 3> S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 116.1 50.3 -50.3 -48.9 2.1 12.5 -15.4 9 25 A E H 3> S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.874 110.5 50.0 -61.8 -37.6 3.9 13.3 -12.1 10 26 A I H <> S+ 0 0 1 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.911 109.6 50.5 -68.9 -41.5 2.9 9.9 -10.6 11 27 A A H X S+ 0 0 25 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.957 112.6 48.0 -55.7 -47.6 4.3 8.1 -13.8 12 28 A Q H X S+ 0 0 115 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 112.4 49.6 -54.8 -51.3 7.5 10.2 -13.3 13 29 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.936 110.3 48.3 -55.3 -50.4 7.6 9.3 -9.7 14 30 A M H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.884 110.8 50.8 -64.2 -38.6 7.2 5.6 -10.2 15 31 A S H X S+ 0 0 58 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.931 110.2 50.0 -65.5 -43.9 9.8 5.4 -13.0 16 32 A L H X S+ 0 0 20 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.882 112.6 47.8 -59.0 -41.9 12.3 7.3 -10.7 17 33 A I H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.892 118.9 39.1 -64.7 -42.4 11.6 4.7 -7.8 18 34 A I H < S+ 0 0 54 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.854 118.0 44.7 -78.7 -37.7 11.9 1.7 -10.1 19 35 A N H < S+ 0 0 126 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 0.385 102.4 68.3 -99.2 3.3 14.9 2.7 -12.3 20 36 A T S < S- 0 0 71 -4,-0.7 2,-0.5 -5,-0.2 0, 0.0 -0.931 83.6-115.9-121.6 143.8 17.3 4.1 -9.6 21 37 A F + 0 0 162 -2,-0.4 2,-0.4 2,-0.0 -3,-0.1 -0.699 33.4 179.3 -82.9 132.7 19.1 2.1 -6.9 22 38 A Y - 0 0 29 -2,-0.5 3,-0.3 -5,-0.1 -2,-0.0 -0.999 17.4-159.2-128.4 134.3 18.1 3.0 -3.4 23 39 A S S S+ 0 0 103 -2,-0.4 2,-2.0 1,-0.2 3,-0.3 0.907 82.6 62.1 -73.2 -45.2 19.6 1.2 -0.3 24 40 A N > + 0 0 39 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 -0.302 58.8 143.3 -88.5 52.0 17.0 1.8 2.5 25 41 A K T > + 0 0 18 -2,-2.0 3,-2.5 -3,-0.3 4,-0.3 0.740 52.0 83.2 -67.1 -22.0 14.1 0.0 0.7 26 42 A E T >> S+ 0 0 21 -3,-0.3 3,-1.6 1,-0.3 4,-0.7 0.732 71.2 79.4 -58.0 -21.5 12.7 -1.3 4.0 27 43 A I H <> S+ 0 0 0 -3,-1.3 4,-2.5 1,-0.3 -1,-0.3 0.687 72.1 80.1 -59.6 -16.7 10.9 2.1 4.6 28 44 A F H <> S+ 0 0 0 -3,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.907 92.2 51.1 -56.3 -35.5 8.1 0.8 2.1 29 45 A L H <> S+ 0 0 1 -3,-1.6 4,-3.0 -4,-0.3 5,-0.3 0.933 107.2 51.4 -71.0 -43.5 6.7 -1.1 5.1 30 46 A R H X S+ 0 0 56 -4,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.929 111.7 48.7 -50.9 -49.9 6.7 1.9 7.3 31 47 A E H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.909 111.8 46.7 -60.2 -49.4 4.8 3.9 4.7 32 48 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.936 114.9 47.4 -59.6 -46.5 2.2 1.2 4.0 33 49 A I H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.919 110.0 52.8 -64.1 -37.3 1.6 0.7 7.8 34 50 A S H X S+ 0 0 45 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.926 110.2 48.9 -61.7 -45.1 1.4 4.6 8.2 35 51 A N H X S+ 0 0 67 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.908 112.0 48.6 -61.3 -41.0 -1.3 4.7 5.5 36 52 A S H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.928 111.0 50.6 -63.2 -47.3 -3.2 1.8 7.2 37 53 A S H X S+ 0 0 13 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.913 111.4 47.7 -59.1 -45.0 -2.9 3.7 10.6 38 54 A D H X S+ 0 0 81 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.907 110.7 51.3 -61.5 -41.3 -4.3 6.9 9.0 39 55 A A H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 41,-1.6 0.834 110.6 49.6 -64.4 -33.6 -7.2 4.9 7.4 40 56 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 39,-0.3 5,-0.3 0.918 108.4 52.6 -72.3 -45.2 -8.0 3.4 10.8 41 57 A D H X S+ 0 0 49 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.924 108.1 52.8 -51.4 -45.1 -8.0 6.8 12.4 42 58 A K H X S+ 0 0 129 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 113.0 40.2 -65.6 -45.5 -10.4 8.1 9.8 43 59 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.922 114.9 53.6 -69.9 -39.5 -13.1 5.3 10.3 44 60 A R H X S+ 0 0 76 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.940 109.0 49.0 -58.8 -45.0 -12.6 5.4 14.0 45 61 A Y H >X S+ 0 0 79 -4,-2.8 3,-0.7 -5,-0.3 4,-0.7 0.926 111.8 48.3 -61.5 -45.3 -13.3 9.2 14.0 46 62 A E H >X S+ 0 0 57 -4,-2.1 4,-1.6 1,-0.2 3,-0.8 0.890 106.9 58.9 -59.7 -35.9 -16.4 8.6 11.8 47 63 A S H 3< S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.742 93.8 64.7 -67.1 -26.0 -17.5 5.9 14.3 48 64 A L H << S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.848 113.1 32.7 -67.0 -33.3 -17.5 8.3 17.2 49 65 A T H << S+ 0 0 113 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.611 135.2 25.7 -97.2 -22.0 -20.4 10.3 15.7 50 66 A D >< - 0 0 66 -4,-1.6 3,-2.7 1,-0.1 -1,-0.2 -0.724 63.5-170.3-143.8 87.4 -22.2 7.4 14.0 51 67 A P G > S+ 0 0 99 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.734 83.1 72.7 -48.1 -26.4 -21.5 4.0 15.6 52 68 A S G > S+ 0 0 56 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.656 73.8 82.9 -70.9 -13.1 -23.2 2.3 12.6 53 69 A K G < S+ 0 0 46 -3,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.737 90.0 54.5 -55.8 -23.8 -20.1 3.2 10.5 54 70 A L G X S+ 0 0 29 -3,-1.8 3,-2.3 -4,-0.2 -1,-0.3 0.304 71.5 103.3 -94.6 8.6 -18.7 0.0 12.2 55 71 A D T < S+ 0 0 143 -3,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.849 81.4 58.9 -51.8 -31.7 -21.7 -2.3 11.0 56 72 A S T 3 S- 0 0 34 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.435 133.4 -37.2 -82.6 -1.9 -19.0 -3.4 8.4 57 73 A G < - 0 0 29 -3,-2.3 -1,-0.3 106,-0.1 -2,-0.1 -0.174 42.5-147.5 143.1 130.0 -16.7 -4.6 11.2 58 74 A K + 0 0 177 -3,-0.2 2,-0.1 -2,-0.1 -3,-0.1 0.749 68.6 98.0 -85.9 -27.1 -15.7 -3.3 14.6 59 75 A E - 0 0 142 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.431 54.1-161.4 -71.9 137.2 -12.1 -4.5 14.8 60 76 A L + 0 0 33 -2,-0.1 2,-0.3 17,-0.1 19,-0.1 -0.952 39.1 123.2-123.3 101.3 -9.5 -1.8 14.0 61 77 A H - 0 0 32 -2,-0.6 17,-1.5 137,-0.2 2,-0.4 -0.951 52.6-126.9-155.2 170.6 -6.2 -3.5 13.1 62 78 A I E -Bc 77 200A 0 137,-2.4 139,-2.4 -2,-0.3 2,-0.4 -1.000 22.3-165.1-128.6 129.6 -3.4 -4.1 10.7 63 79 A N E -Bc 76 201A 22 13,-2.8 13,-3.0 -2,-0.4 2,-0.5 -0.916 8.2-154.5-119.3 138.0 -2.3 -7.7 9.5 64 80 A L E -Bc 75 202A 3 137,-2.9 139,-2.9 -2,-0.4 11,-0.2 -0.976 13.8-174.8-113.5 125.8 1.0 -8.6 7.7 65 81 A I E -B 74 0A 50 9,-3.0 9,-1.9 -2,-0.5 2,-0.2 -0.842 3.0-170.8-132.7 87.2 0.7 -11.7 5.6 66 82 A P E -B 73 0A 7 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.581 0.8-172.1 -75.8 149.2 3.9 -13.1 3.9 67 83 A N E >> -B 72 0A 34 5,-2.2 5,-2.0 -2,-0.2 4,-1.0 -0.803 8.0-177.1-145.2 91.2 3.5 -15.9 1.4 68 84 A K T 45S+ 0 0 115 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.865 84.1 56.7 -56.0 -40.9 6.8 -17.4 0.2 69 85 A Q T 45S+ 0 0 144 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.881 118.1 32.0 -63.4 -36.7 5.1 -19.8 -2.3 70 86 A D T 45S- 0 0 108 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.520 104.7-128.4 -93.7 -8.6 3.3 -16.9 -4.1 71 87 A R T <5 + 0 0 84 -4,-1.0 101,-1.9 1,-0.2 2,-0.4 0.911 64.0 135.4 51.5 45.7 6.2 -14.5 -3.5 72 88 A T E < -BD 67 171A 12 -5,-2.0 -5,-2.2 99,-0.2 2,-0.5 -0.959 45.0-162.5-118.2 143.6 3.6 -12.0 -2.0 73 89 A L E -BD 66 170A 2 97,-2.0 97,-2.9 -2,-0.4 2,-0.4 -0.996 18.2-164.7-116.5 125.3 3.6 -9.7 1.1 74 90 A T E -BD 65 169A 18 -9,-1.9 -9,-3.0 -2,-0.5 2,-0.6 -0.920 9.5-163.3-113.1 133.2 0.0 -8.5 1.9 75 91 A I E -BD 64 168A 0 93,-2.5 93,-2.4 -2,-0.4 2,-0.4 -0.971 16.2-172.9-116.3 112.8 -0.7 -5.6 4.3 76 92 A V E +BD 63 167A 15 -13,-3.0 -13,-2.8 -2,-0.6 2,-0.3 -0.911 8.0 173.5-112.1 137.6 -4.4 -5.6 5.4 77 93 A D E -BD 62 166A 7 89,-2.7 89,-1.9 -2,-0.4 -15,-0.2 -0.962 33.5-140.4-136.7 160.7 -6.2 -3.0 7.4 78 94 A T + 0 0 22 -17,-1.5 87,-0.2 -2,-0.3 -16,-0.1 -0.149 60.9 131.9-107.3 36.3 -9.8 -2.5 8.5 79 95 A G S S- 0 0 0 87,-0.2 -39,-0.3 -18,-0.2 -40,-0.1 0.140 78.4 -68.3 -71.5-159.6 -9.6 1.3 7.9 80 96 A I - 0 0 22 -41,-1.6 57,-0.5 1,-0.1 85,-0.2 0.667 69.1-149.2 -72.8 -19.3 -12.0 3.5 6.0 81 97 A G - 0 0 4 55,-0.2 2,-0.4 83,-0.1 55,-0.2 -0.116 15.0 -85.3 73.7-179.2 -11.3 2.0 2.6 82 98 A M - 0 0 38 83,-0.3 54,-0.4 60,-0.1 60,-0.2 -0.982 28.6-134.0-131.3 145.5 -11.4 3.7 -0.8 83 99 A T > - 0 0 26 -2,-0.4 4,-2.1 52,-0.1 5,-0.2 -0.375 34.9-101.9 -88.5 172.0 -14.2 4.3 -3.3 84 100 A K H > S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.922 126.2 53.7 -59.3 -40.1 -14.1 3.8 -7.1 85 101 A A H > S+ 0 0 51 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.895 106.7 51.6 -62.6 -44.9 -13.6 7.5 -7.5 86 102 A D H > S+ 0 0 47 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.873 110.4 49.6 -52.5 -44.5 -10.6 7.4 -5.0 87 103 A L H < S+ 0 0 12 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.725 120.1 35.2 -74.3 -24.5 -9.1 4.6 -7.1 88 104 A I H < S+ 0 0 45 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.881 128.4 31.6 -91.4 -51.6 -9.5 6.5 -10.4 89 105 A N H < S- 0 0 126 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.541 105.8-127.6 -81.5 -11.0 -8.9 10.1 -9.4 90 106 A N < - 0 0 41 -4,-1.3 2,-0.2 -5,-0.3 -1,-0.2 0.033 40.4 -57.4 70.3 168.2 -6.4 9.4 -6.6 91 107 A L > - 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