==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 18-JAN-06 2CCT . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP-90 ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.BARRIL,M.C.BESWICK,A.COLLIER,M.J.DRYSDALE,B.W.DYMOCK, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 76.4 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 19.7 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 . 17 8.2 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 . 57 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 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 16 A E 0 0 134 0, 0.0 2,-0.7 0, 0.0 158,-0.4 0.000 360.0 360.0 360.0-104.2 37.7 27.2 39.2 2 17 A V - 0 0 85 156,-0.1 2,-0.2 154,-0.1 156,-0.2 -0.800 360.0-167.8-100.4 108.9 39.5 26.6 35.8 3 18 A E E -A 157 0A 92 154,-2.0 154,-1.6 -2,-0.7 2,-0.4 -0.631 10.2-146.6 -87.4 147.6 42.3 24.0 35.6 4 19 A T E -A 156 0A 99 -2,-0.2 2,-0.3 152,-0.2 152,-0.2 -0.956 15.7-174.4-123.1 132.0 44.6 23.9 32.6 5 20 A F E -A 155 0A 46 150,-2.8 150,-2.6 -2,-0.4 2,-0.4 -0.894 21.0-129.1-127.8 139.1 46.1 20.6 31.3 6 21 A A E -A 154 0A 84 -2,-0.3 148,-0.3 148,-0.2 2,-0.3 -0.768 28.4-118.8 -83.8 139.7 48.6 19.9 28.6 7 22 A F - 0 0 13 146,-1.9 -1,-0.0 -2,-0.4 0, 0.0 -0.542 38.4 -99.2 -66.2 138.2 47.7 17.2 26.0 8 23 A Q > - 0 0 73 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.278 41.1-104.0 -51.5 152.0 50.1 14.3 25.9 9 24 A A H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.815 118.8 51.8 -54.2 -36.7 52.6 14.8 23.1 10 25 A E H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 109.6 45.3 -74.4 -46.4 50.8 12.2 20.9 11 26 A I H > S+ 0 0 0 -3,-0.4 4,-3.2 2,-0.2 5,-0.3 0.956 111.3 55.3 -55.4 -46.9 47.3 13.6 21.1 12 27 A A H X S+ 0 0 26 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.870 110.2 47.4 -60.0 -32.4 48.9 17.1 20.5 13 28 A Q H X S+ 0 0 114 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.886 111.1 48.5 -75.8 -45.4 50.4 15.5 17.3 14 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.945 111.0 51.6 -56.8 -53.9 47.1 13.9 16.1 15 30 A M H X S+ 0 0 3 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.907 113.0 44.6 -49.3 -44.9 45.3 17.2 16.7 16 31 A S H X S+ 0 0 64 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.786 112.0 52.0 -70.9 -35.2 47.8 19.1 14.6 17 32 A L H X S+ 0 0 41 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.792 111.6 47.9 -66.9 -39.5 47.9 16.4 11.9 18 33 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.892 114.0 46.4 -66.9 -43.6 44.1 16.6 11.8 19 34 A I H < S+ 0 0 63 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.800 124.2 30.0 -69.9 -30.6 44.1 20.5 11.6 20 35 A N H < S+ 0 0 120 -4,-1.5 2,-0.2 -5,-0.1 -3,-0.2 0.765 87.8 100.6-105.0 -32.1 46.9 20.7 8.9 21 36 A T S < S- 0 0 64 -4,-1.8 2,-0.3 -5,-0.2 -4,-0.0 -0.433 78.9-120.0 -62.8 122.8 46.6 17.6 6.7 22 37 A F + 0 0 192 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.555 53.0 151.2 -63.8 126.0 44.8 18.7 3.5 23 38 A Y - 0 0 33 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.714 31.3-165.3-169.0 103.7 41.8 16.4 3.4 24 39 A S S S+ 0 0 98 1,-0.2 2,-2.5 -2,-0.2 3,-0.2 0.761 72.1 81.3 -68.3 -33.9 38.4 17.3 1.8 25 40 A N > + 0 0 63 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.285 48.5 148.3 -77.0 54.5 36.1 14.7 3.2 26 41 A K T > + 0 0 41 -2,-2.5 3,-1.7 1,-0.2 4,-0.2 0.610 46.9 88.9 -68.8 -12.5 35.5 16.6 6.5 27 42 A E T >> + 0 0 42 1,-0.3 3,-1.6 -3,-0.2 4,-0.6 0.763 66.8 78.5 -61.0 -29.1 31.9 15.3 6.9 28 43 A I H <> S+ 0 0 0 -3,-1.1 4,-2.0 1,-0.3 -1,-0.3 0.709 71.9 81.6 -48.8 -27.4 33.0 12.2 8.8 29 44 A F H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.913 90.7 52.1 -49.1 -42.4 33.4 14.2 12.0 30 45 A L H <> S+ 0 0 2 -3,-1.6 4,-2.6 1,-0.2 5,-0.3 0.927 106.4 52.2 -63.4 -44.7 29.6 13.9 12.5 31 46 A R H X S+ 0 0 56 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.888 109.1 49.6 -58.5 -41.7 29.7 10.1 12.2 32 47 A E H X S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.922 112.6 48.4 -67.8 -37.3 32.5 9.8 14.8 33 48 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.2 3,-0.3 0.978 113.0 45.2 -65.0 -56.8 30.6 12.0 17.2 34 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.853 112.9 52.6 -50.7 -38.3 27.2 10.2 16.8 35 50 A S H X S+ 0 0 45 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.880 107.7 50.7 -74.4 -28.7 29.0 6.9 17.1 36 51 A N H X S+ 0 0 56 -4,-1.8 4,-1.7 -3,-0.3 -2,-0.2 0.907 110.1 50.4 -68.4 -45.0 30.7 8.0 20.4 37 52 A S H X S+ 0 0 6 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.914 108.9 51.9 -54.1 -47.3 27.2 9.0 21.7 38 53 A S H >X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 3,-0.7 0.957 107.8 51.5 -59.8 -53.4 25.8 5.6 20.7 39 54 A D H 3X S+ 0 0 79 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.815 110.9 49.6 -40.9 -42.6 28.7 3.8 22.6 40 55 A A H 3X S+ 0 0 16 -4,-1.7 41,-2.4 2,-0.2 4,-1.3 0.723 110.2 48.9 -77.6 -23.4 27.9 5.9 25.7 41 56 A L H X S+ 0 0 174 -4,-2.7 3,-1.6 1,-0.2 4,-0.5 0.924 111.6 50.0 -47.8 -58.3 23.9 -2.2 29.8 47 62 A E H >X S+ 0 0 61 -4,-1.9 4,-1.6 1,-0.3 3,-1.1 0.881 105.6 57.5 -52.5 -39.7 24.2 -0.9 33.4 48 63 A T H 3< S+ 0 0 19 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.703 87.7 77.5 -70.2 -12.2 20.5 -0.5 33.7 49 64 A L H << S+ 0 0 132 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.862 111.6 22.4 -65.7 -31.3 19.9 -4.2 32.9 50 65 A T H << S+ 0 0 127 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.697 132.9 36.6-108.4 -27.8 21.0 -5.1 36.4 51 66 A D >< - 0 0 60 -4,-1.6 3,-1.3 1,-0.1 -1,-0.2 -0.906 61.0-171.6-126.8 102.2 20.3 -1.8 38.4 52 67 A P G > S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.805 79.1 72.2 -69.2 -28.1 17.2 0.1 37.2 53 68 A S G > S+ 0 0 57 1,-0.3 3,-2.9 2,-0.2 4,-0.4 0.715 74.5 83.0 -55.1 -29.4 18.0 3.2 39.3 54 69 A K G < S+ 0 0 47 -3,-1.3 3,-0.4 1,-0.3 -1,-0.3 0.761 90.0 54.4 -43.5 -23.2 20.8 4.0 37.0 55 70 A L G X S+ 0 0 27 -3,-2.0 3,-1.0 1,-0.2 -1,-0.3 0.266 73.7 100.3-104.6 15.9 18.0 5.6 34.9 56 71 A D T < S+ 0 0 136 -3,-2.9 -1,-0.2 1,-0.3 3,-0.2 0.847 76.6 62.3 -67.5 -34.0 16.7 7.9 37.6 57 72 A S T 3 S- 0 0 35 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 -0.065 133.8 -37.2 -80.6 31.8 18.6 10.7 36.0 58 73 A G < - 0 0 31 -3,-1.0 -1,-0.3 -2,-0.2 -2,-0.1 0.333 45.5-150.6 113.9 124.8 16.5 10.2 32.8 59 74 A K S S+ 0 0 166 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 0.523 70.3 95.2 -95.8 -15.8 15.1 7.1 31.1 60 75 A E - 0 0 133 -5,-0.1 2,-0.6 2,-0.0 0, 0.0 -0.735 56.4-164.2 -80.3 127.4 15.0 8.5 27.5 61 76 A L + 0 0 15 -2,-0.5 2,-0.3 17,-0.1 19,-0.0 -0.955 34.2 129.5-116.0 108.9 18.2 7.4 25.6 62 77 A H - 0 0 32 -2,-0.6 17,-1.3 139,-0.2 2,-0.4 -0.903 50.1-126.5-155.1 168.0 18.5 9.6 22.4 63 78 A I E -Bc 78 203A 0 139,-1.8 141,-2.0 -2,-0.3 2,-0.3 -0.993 22.9-165.9-129.6 121.6 20.8 11.8 20.4 64 79 A N E -Bc 77 204A 21 13,-2.0 13,-2.2 -2,-0.4 2,-0.5 -0.851 9.2-152.2-106.6 147.7 19.8 15.4 19.4 65 80 A L E -Bc 76 205A 0 139,-3.2 141,-3.5 -2,-0.3 11,-0.2 -0.990 15.4-176.5-117.7 120.2 21.5 17.5 16.7 66 81 A I E -B 75 0A 46 9,-2.8 9,-2.1 -2,-0.5 2,-0.1 -0.857 3.7-169.4-122.4 94.9 21.1 21.3 17.4 67 82 A P E -B 74 0A 8 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.431 3.1-166.8 -80.0 152.1 22.5 23.8 14.8 68 83 A N E >>> -B 73 0A 44 5,-2.6 4,-1.9 -2,-0.1 5,-1.8 -0.728 8.4-173.1-142.3 96.6 22.7 27.4 15.7 69 84 A K T 345S+ 0 0 54 -2,-0.3 -1,-0.1 1,-0.2 114,-0.0 0.731 86.8 53.6 -61.5 -23.1 23.4 29.7 12.7 70 85 A Q T 345S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.790 117.8 30.5 -82.0 -43.1 23.8 32.7 15.0 71 86 A D T <45S- 0 0 107 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.529 107.3-125.7 -88.0 -14.9 26.4 31.3 17.5 72 87 A R T <5 + 0 0 79 -4,-1.9 103,-2.0 1,-0.3 2,-0.4 0.912 63.2 135.3 65.8 44.9 27.8 29.3 14.6 73 88 A T E < -BD 68 174A 10 -5,-1.8 -5,-2.6 101,-0.2 2,-0.4 -0.927 47.9-159.1-122.4 153.0 27.6 26.0 16.6 74 89 A L E -BD 67 173A 1 99,-1.4 99,-3.2 -2,-0.4 2,-0.5 -0.997 20.5-164.5-120.3 118.3 26.5 22.5 16.0 75 90 A T E -BD 66 172A 16 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.5 -0.916 8.6-163.4-105.0 130.1 25.7 20.8 19.3 76 91 A I E -BD 65 171A 1 95,-2.1 95,-2.4 -2,-0.5 2,-0.4 -0.993 16.3-171.2-106.4 116.6 25.3 17.0 19.5 77 92 A V E +BD 64 170A 19 -13,-2.2 -13,-2.0 -2,-0.5 2,-0.3 -0.862 5.9 178.3-103.6 142.7 23.5 16.1 22.8 78 93 A D E -BD 63 169A 5 91,-2.2 91,-1.4 -2,-0.4 -15,-0.2 -0.993 33.1-140.5-143.1 157.1 23.1 12.5 24.2 79 94 A T + 0 0 22 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.055 61.0 129.8-102.1 35.2 21.6 10.9 27.3 80 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -42,-0.1 0.177 78.8 -72.4 -73.0-173.1 24.4 8.3 27.7 81 96 A I - 0 0 19 -41,-2.4 59,-0.5 86,-0.1 87,-0.1 0.673 66.2-152.5 -50.9 -28.2 26.5 7.3 30.6 82 97 A G - 0 0 6 57,-0.2 2,-0.3 85,-0.1 87,-0.2 -0.031 16.1 -88.8 72.8 173.5 28.6 10.6 30.6 83 98 A M - 0 0 28 85,-0.3 56,-0.4 62,-0.1 62,-0.2 -0.880 24.5-129.2-120.0 154.1 32.1 10.9 31.9 84 99 A T > - 0 0 26 -2,-0.3 4,-2.0 54,-0.1 3,-0.2 -0.510 40.3 -99.1 -85.3 169.1 33.7 11.8 35.3 85 100 A K H > S+ 0 0 51 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.930 128.0 55.5 -55.9 -47.4 36.3 14.5 35.7 86 101 A A H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.876 107.4 49.3 -49.1 -42.3 38.9 11.7 35.6 87 102 A D H 4>S+ 0 0 58 -3,-0.2 6,-1.4 1,-0.2 5,-0.9 0.881 108.5 51.7 -69.4 -39.1 37.5 10.5 32.3 88 103 A L H X5S+ 0 0 0 -4,-2.0 4,-1.0 4,-0.2 3,-0.2 0.932 113.7 44.0 -63.7 -43.1 37.6 13.9 30.8 89 104 A I H <5S+ 0 0 45 -4,-2.7 2,-2.8 1,-0.2 -2,-0.2 0.950 103.4 67.3 -65.7 -46.9 41.3 14.3 31.8 90 105 A N T ><5S- 0 0 102 -4,-2.7 3,-1.5 -5,-0.2 4,-0.5 -0.339 134.4 -77.3 -73.6 65.7 42.1 10.9 30.6 91 106 A N G >45S- 0 0 11 -2,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.697 82.7 -61.1 46.7 40.5 41.4 11.8 26.9 92 107 A L G 3< + 0 0 129 -2,-0.2 4,-2.2 25,-0.2 5,-0.1 -0.665 50.7 161.8-100.9 71.9 42.9 5.1 25.0 96 111 A A H > + 0 0 1 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.795 57.3 57.2 -72.1 -32.6 44.2 8.0 22.9 97 112 A K H > S+ 0 0 112 2,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.966 116.8 32.9 -67.3 -47.6 48.0 7.5 23.3 98 113 A S H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 119.5 55.0 -69.9 -38.8 48.1 3.9 21.9 99 114 A G H X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.805 105.4 50.7 -64.4 -38.1 45.3 4.7 19.6 100 115 A T H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.845 110.2 53.1 -64.5 -34.5 47.2 7.7 18.1 101 116 A K H X S+ 0 0 126 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.993 109.9 44.1 -63.2 -65.1 50.2 5.4 17.6 102 117 A A H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.868 116.0 50.2 -47.2 -39.8 48.3 2.7 15.7 103 118 A F H X S+ 0 0 0 -4,-1.7 4,-3.5 -5,-0.2 5,-0.2 0.974 108.6 51.4 -63.5 -54.0 46.6 5.5 13.7 104 119 A M H X S+ 0 0 59 -4,-3.2 4,-1.8 2,-0.2 5,-0.2 0.956 114.0 43.3 -46.0 -60.8 49.9 7.2 12.9 105 120 A E H >X S+ 0 0 114 -4,-2.3 4,-2.2 1,-0.2 3,-0.8 0.951 114.4 51.2 -49.5 -56.8 51.4 3.9 11.6 106 121 A A H 3<>S+ 0 0 24 -4,-2.7 5,-1.1 1,-0.3 -1,-0.2 0.902 108.0 52.2 -47.3 -49.5 48.1 3.1 9.7 107 122 A L H ><5S+ 0 0 39 -4,-3.5 3,-1.0 1,-0.2 -1,-0.3 0.849 109.8 48.6 -54.4 -39.4 48.2 6.5 8.1 108 123 A Q H <<5S+ 0 0 94 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.791 112.4 49.6 -75.5 -30.4 51.8 5.9 6.9 109 124 A A T 3<5S- 0 0 92 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.066 135.6 -77.0 -87.7 21.7 50.8 2.4 5.5 110 125 A G T < 5S+ 0 0 68 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.895 82.5 133.8 84.5 39.8 47.7 3.8 3.6 111 126 A A < - 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