==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 30-MAR-12 4EFU . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.MUSIL,M.LEHMANN,U.GRAEDLER,H.-P.BUCHSTALLER . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 75.4 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 . 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 . 56 27.1 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 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 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 0 118 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 117.9 8.8 27.1 35.4 2 18 A E E -A 156 0A 97 154,-2.7 154,-2.4 2,-0.0 2,-0.4 -0.833 360.0-154.6 -99.2 130.4 11.4 24.4 34.9 3 19 A T E -A 155 0A 97 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.900 15.2-176.4-105.6 133.1 13.6 24.3 31.7 4 20 A F E -A 154 0A 54 150,-2.9 150,-2.1 -2,-0.4 2,-0.4 -0.940 24.2-124.3-128.4 150.8 15.0 21.0 30.5 5 21 A A E -A 153 0A 82 -2,-0.3 148,-0.3 148,-0.2 3,-0.1 -0.746 30.3-120.4 -92.0 138.2 17.3 19.9 27.7 6 22 A F - 0 0 19 146,-2.4 86,-0.0 -2,-0.4 -1,-0.0 -0.417 40.8 -90.9 -68.1 155.5 16.1 17.2 25.3 7 23 A Q >> - 0 0 77 85,-0.1 4,-2.1 1,-0.1 3,-0.7 -0.382 44.2-107.8 -60.9 147.0 18.2 14.0 25.1 8 24 A A H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.850 119.0 50.7 -47.1 -44.7 20.8 14.5 22.2 9 25 A E H 3> S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 109.7 50.4 -66.3 -35.8 19.0 12.0 19.9 10 26 A I H <> S+ 0 0 4 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.921 109.9 49.3 -69.5 -45.0 15.6 13.7 20.3 11 27 A A H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.896 112.9 49.1 -59.2 -41.3 17.1 17.2 19.5 12 28 A Q H X S+ 0 0 121 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.892 112.2 47.3 -64.3 -43.5 18.7 15.6 16.4 13 29 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.918 111.1 51.4 -63.4 -46.2 15.4 14.0 15.4 14 30 A M H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.884 110.3 49.5 -61.2 -38.2 13.5 17.3 15.9 15 31 A S H X S+ 0 0 64 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.874 110.0 51.0 -67.4 -39.2 16.1 19.1 13.7 16 32 A L H X S+ 0 0 48 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.923 111.3 48.4 -61.1 -47.4 15.7 16.4 11.0 17 33 A I H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 116.4 42.4 -60.1 -43.7 11.8 16.9 11.1 18 34 A I H < S+ 0 0 68 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.874 123.0 37.3 -71.7 -40.1 12.1 20.7 10.9 19 35 A N H < S+ 0 0 125 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.760 91.5 94.6 -87.8 -31.1 14.8 20.8 8.2 20 36 A T S < S- 0 0 63 -4,-2.7 2,-0.6 -5,-0.2 -4,-0.0 -0.390 78.0-118.4 -67.8 140.4 14.1 17.9 5.8 21 37 A F + 0 0 183 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.717 52.6 151.0 -78.8 116.8 12.0 18.6 2.6 22 38 A Y - 0 0 33 -2,-0.6 3,-0.1 -5,-0.1 -2,-0.0 -0.865 28.0-172.9-154.6 107.8 8.9 16.4 3.0 23 39 A S S S+ 0 0 91 -2,-0.3 2,-2.4 1,-0.2 3,-0.3 0.789 71.0 83.7 -76.8 -30.2 5.6 17.4 1.5 24 40 A N > + 0 0 59 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.236 50.3 145.7 -73.4 53.7 3.4 14.7 3.1 25 41 A K T > + 0 0 37 -2,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.738 47.6 84.1 -62.4 -28.3 3.0 16.7 6.4 26 42 A E T >> + 0 0 16 -3,-0.3 3,-1.4 1,-0.3 4,-0.5 0.610 67.2 84.3 -54.7 -19.8 -0.6 15.5 7.1 27 43 A I H <> S+ 0 0 0 -3,-1.1 4,-1.7 1,-0.3 -1,-0.3 0.669 71.5 78.7 -57.8 -21.3 0.8 12.3 8.8 28 44 A F H <> S+ 0 0 1 -3,-1.8 4,-2.0 96,-0.3 -1,-0.3 0.853 89.3 54.4 -55.1 -41.8 1.1 14.4 12.1 29 45 A L H <> S+ 0 0 2 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.912 105.6 49.5 -62.6 -48.3 -2.7 14.0 12.8 30 46 A R H X S+ 0 0 62 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.895 111.4 51.9 -55.0 -46.1 -2.7 10.2 12.6 31 47 A E H X S+ 0 0 15 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.897 112.8 42.7 -60.9 -44.7 0.3 10.0 15.0 32 48 A L H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.906 114.5 50.4 -70.8 -40.5 -1.4 12.3 17.6 33 49 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.877 109.5 52.1 -62.2 -40.0 -4.8 10.5 17.3 34 50 A S H X S+ 0 0 45 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.883 109.5 49.6 -63.6 -40.8 -3.0 7.1 17.7 35 51 A N H X S+ 0 0 70 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.849 111.5 48.6 -64.0 -41.0 -1.3 8.5 21.0 36 52 A S H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.922 110.5 51.9 -64.6 -44.8 -4.8 9.7 22.3 37 53 A S H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.854 108.2 51.0 -60.2 -39.8 -6.3 6.2 21.4 38 54 A D H X S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.914 110.6 49.0 -66.4 -40.4 -3.5 4.5 23.4 39 55 A A H X S+ 0 0 18 -4,-1.8 4,-1.8 1,-0.2 41,-1.5 0.859 111.6 49.8 -65.6 -37.1 -4.2 6.7 26.4 40 56 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 39,-0.3 -1,-0.2 0.865 109.4 50.4 -70.7 -36.2 -8.0 6.0 26.1 41 57 A D H X S+ 0 0 61 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.880 109.1 54.2 -64.5 -41.3 -7.3 2.2 26.0 42 58 A K H X S+ 0 0 110 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.884 111.2 42.5 -62.6 -43.6 -5.1 2.6 29.1 43 59 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.908 113.8 52.5 -70.3 -40.5 -7.9 4.3 31.2 44 60 A R H < S+ 0 0 127 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.871 112.4 45.8 -61.9 -39.6 -10.5 1.8 29.9 45 61 A Y H >X S+ 0 0 172 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.909 113.5 47.4 -70.0 -46.3 -8.3 -1.2 30.9 46 62 A E H 3X S+ 0 0 43 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.786 104.3 63.4 -64.9 -30.0 -7.4 0.2 34.4 47 63 A S H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.602 90.6 67.5 -71.0 -16.0 -11.2 1.0 35.0 48 64 A L H <4 S+ 0 0 135 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.924 113.1 27.8 -69.6 -48.5 -12.1 -2.7 34.8 49 65 A T H < S+ 0 0 130 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.1 0.767 136.8 32.3 -82.6 -30.3 -10.3 -3.6 38.1 50 66 A D >< + 0 0 61 -4,-1.7 3,-1.5 1,-0.1 -1,-0.2 -0.803 60.4 176.2-131.0 89.3 -10.7 -0.1 39.6 51 67 A P G > S+ 0 0 92 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.749 76.2 75.0 -65.3 -22.0 -14.0 1.7 38.5 52 68 A S G > S+ 0 0 65 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.652 78.2 75.6 -62.7 -17.1 -13.2 4.7 40.8 53 69 A K G < S+ 0 0 51 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.675 88.4 59.7 -68.8 -17.0 -10.5 5.8 38.2 54 70 A L G X S+ 0 0 38 -3,-1.8 3,-1.4 1,-0.2 -1,-0.3 0.298 74.8 96.0 -93.4 7.7 -13.5 7.0 36.0 55 71 A D T < S+ 0 0 141 -3,-1.5 -1,-0.2 1,-0.3 3,-0.2 0.784 80.0 58.0 -65.6 -29.9 -14.7 9.5 38.8 56 72 A S T 3 S- 0 0 40 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.254 133.9 -26.0 -82.6 8.4 -12.6 12.3 37.0 57 73 A G < - 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0 0 7 -41,-1.5 59,-0.5 1,-0.1 87,-0.2 0.729 69.0-150.2 -63.0 -25.9 -5.3 8.2 31.4 81 97 A G - 0 0 5 85,-0.2 2,-0.4 57,-0.2 57,-0.2 -0.128 16.2 -84.6 75.1-179.0 -3.3 11.4 31.3 82 98 A M - 0 0 40 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.979 24.8-138.9-130.1 142.4 0.3 11.8 32.4 83 99 A T > - 0 0 22 -2,-0.4 4,-2.7 54,-0.1 5,-0.1 -0.396 41.0 -99.4 -84.0 168.6 2.0 12.4 35.8 84 100 A K H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 128.5 49.7 -56.3 -42.0 5.0 14.8 36.1 85 101 A A H 4>S+ 0 0 52 2,-0.2 5,-2.0 1,-0.2 6,-0.4 0.916 110.4 48.9 -62.6 -47.4 7.3 11.7 36.1 86 102 A D H 4>S+ 0 0 37 1,-0.2 5,-1.5 4,-0.2 -2,-0.2 0.934 114.6 47.8 -56.0 -48.9 5.5 10.2 33.0 87 103 A L H <5S+ 0 0 16 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.907 124.8 21.1 -58.8 -55.7 5.9 13.6 31.3 88 104 A I T <5S+ 0 0 31 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.937 131.5 14.9 -81.6 -93.8 9.6 14.3 32.0 89 105 A N T >>5S+ 0 0 123 1,-0.2 3,-1.1 -5,-0.2 4,-0.7 0.884 123.9 51.5 -53.4 -53.9 12.0 11.4 32.9 90 106 A N H >>X S+ 0 0 125 -4,-1.1 3,-1.0 1,-0.2 4,-0.8 0.889 102.4 65.7 -58.6 -46.6 12.3 5.0 26.3 95 111 A A H 3> S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.735 83.9 73.6 -47.9 -39.1 12.5 7.3 23.2 96 112 A K H <> S+ 0 0 105 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.2 0.828 97.4 46.3 -47.9 -49.3 16.4 6.8 22.7 97 113 A S H <> S+ 0 0 96 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.927 118.1 41.5 -62.1 -50.2 16.1 3.2 21.3 98 114 A G H X S+ 0 0 13 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.846 113.1 53.9 -66.5 -40.1 13.2 4.1 18.9 99 115 A T H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.904 112.0 44.5 -60.3 -48.6 14.8 7.4 17.8 100 116 A K H X S+ 0 0 119 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.904 114.6 49.4 -64.0 -44.9 18.1 5.7 16.9 101 117 A A H X S+ 0 0 35 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.886 112.6 48.2 -62.6 -40.6 16.2 2.9 15.1 102 118 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.894 112.0 47.3 -66.7 -45.8 14.1 5.4 13.1 103 119 A M H X S+ 0 0 24 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.865 112.8 49.7 -67.1 -33.8 17.1 7.6 12.0 104 120 A E H X S+ 0 0 104 -4,-2.1 4,-1.2 2,-0.2 3,-0.2 0.901 110.4 51.0 -67.5 -41.9 19.0 4.4 11.0 105 121 A A H <>S+ 0 0 22 -4,-2.1 5,-2.3 1,-0.2 3,-0.2 0.876 105.7 55.7 -62.5 -40.6 15.9 3.3 9.0 106 122 A L H ><5S+ 0 0 35 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.828 107.8 48.4 -59.8 -37.6 15.7 6.8 7.2 107 123 A Q H 3<5S+ 0 0 180 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.756 106.9 57.9 -72.6 -28.4 19.3 6.3 6.0 108 124 A A T 3<5S- 0 0 91 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.407 133.7 -85.9 -83.0 -0.7 18.3 2.8 4.8 109 125 A G T < 5S+ 0 0 69 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.452 83.9 134.8 110.7 3.2 15.6 4.2 2.5 110 126 A A < - 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