==== 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 2CCS . 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) . 10457.0 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 . 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 . 0 0.0 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 . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 27.9 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 1 2 2 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 0 132 0, 0.0 158,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -82.8 36.8 27.8 39.1 2 17 A V E -A 158 0A 85 156,-0.1 2,-0.3 154,-0.0 156,-0.2 -0.950 360.0-162.2-119.3 114.6 38.7 26.8 35.7 3 18 A E E -A 157 0A 89 154,-2.4 154,-2.0 -2,-0.5 2,-0.4 -0.758 9.1-149.7 -94.4 140.2 41.5 24.3 35.6 4 19 A T E -A 156 0A 97 -2,-0.3 2,-0.3 152,-0.2 152,-0.2 -0.931 15.9-175.4-112.8 131.5 43.8 24.2 32.6 5 20 A F E -A 155 0A 50 150,-3.1 150,-2.4 -2,-0.4 2,-0.4 -0.944 23.5-122.8-124.4 151.3 45.5 21.0 31.4 6 21 A A E -A 154 0A 82 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.739 28.9-121.5 -87.7 133.8 48.1 20.1 28.8 7 22 A F - 0 0 11 146,-2.1 5,-0.0 -2,-0.4 -1,-0.0 -0.468 38.8-101.5 -58.1 141.9 47.1 17.5 26.1 8 23 A Q > - 0 0 77 -2,-0.1 4,-2.5 1,-0.1 3,-0.5 -0.346 39.0-106.0 -57.2 146.3 49.4 14.6 26.2 9 24 A A H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.837 118.0 53.8 -44.7 -45.2 52.0 14.9 23.3 10 25 A E H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 112.4 44.7 -66.3 -37.2 50.4 12.2 21.1 11 26 A I H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.854 110.0 53.9 -71.1 -40.5 47.0 13.9 21.3 12 27 A A H X S+ 0 0 31 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.934 112.7 46.0 -55.2 -40.6 48.5 17.3 20.7 13 28 A Q H X S+ 0 0 112 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.919 111.0 52.3 -74.9 -41.0 50.1 15.7 17.5 14 29 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.893 110.8 47.1 -53.6 -47.8 46.7 14.0 16.6 15 30 A M H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 111.2 50.5 -68.1 -41.5 44.8 17.3 16.8 16 31 A S H X S+ 0 0 66 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.931 110.2 51.2 -61.6 -42.5 47.5 19.2 14.7 17 32 A L H X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.883 111.6 47.4 -58.1 -46.0 47.3 16.4 12.1 18 33 A I H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.7 43.7 -60.8 -41.5 43.5 16.8 12.0 19 34 A I H < S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.855 122.4 33.4 -77.6 -34.8 43.7 20.5 11.7 20 35 A N H < S+ 0 0 124 -4,-2.5 2,-0.2 -5,-0.2 -3,-0.2 0.697 89.4 96.5-103.3 -22.2 46.5 20.8 9.2 21 36 A T S < S- 0 0 62 -4,-1.9 2,-0.4 -5,-0.2 -4,-0.0 -0.504 78.4-118.6 -72.8 133.3 46.2 17.9 6.8 22 37 A F + 0 0 184 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.634 51.8 153.1 -76.0 125.9 44.3 18.6 3.5 23 38 A Y - 0 0 35 -2,-0.4 3,-0.2 105,-0.1 -2,-0.0 -0.812 29.0-168.0-164.2 106.6 41.4 16.3 3.6 24 39 A S S S+ 0 0 92 -2,-0.3 2,-2.1 1,-0.2 3,-0.2 0.778 72.6 80.6 -75.9 -29.7 38.1 17.1 1.8 25 40 A N > + 0 0 62 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 -0.301 50.4 145.3 -81.1 51.4 35.8 14.5 3.4 26 41 A K T > + 0 0 39 -2,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.695 47.9 84.9 -61.2 -22.6 35.2 16.5 6.6 27 42 A E T >> + 0 0 15 1,-0.3 3,-1.8 -3,-0.2 4,-0.6 0.695 67.8 81.4 -62.7 -19.2 31.6 15.3 7.0 28 43 A I H <> S+ 0 0 1 -3,-1.2 4,-2.1 1,-0.3 -1,-0.3 0.627 70.7 80.9 -60.6 -14.9 32.7 12.1 8.8 29 44 A F H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.855 89.7 54.7 -59.4 -33.3 33.0 14.1 12.1 30 45 A L H <> S+ 0 0 2 -3,-1.8 4,-2.6 1,-0.2 5,-0.3 0.951 106.2 48.6 -72.3 -42.6 29.3 13.8 12.5 31 46 A R H X S+ 0 0 56 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.921 110.6 52.6 -57.9 -45.0 29.3 10.0 12.2 32 47 A E H X S+ 0 0 12 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.915 112.1 45.7 -62.9 -39.8 32.2 9.8 14.7 33 48 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.870 113.3 47.3 -68.5 -39.1 30.2 11.9 17.2 34 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.863 110.7 53.8 -67.9 -33.9 26.9 10.0 16.8 35 50 A S H X S+ 0 0 39 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.900 107.2 49.8 -71.8 -34.2 28.8 6.8 17.1 36 51 A N H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.912 111.9 49.0 -64.3 -41.8 30.4 8.0 20.5 37 52 A S H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.934 109.5 52.4 -64.3 -46.9 26.8 8.9 21.7 38 53 A S H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.906 109.0 49.6 -54.9 -45.1 25.5 5.5 20.6 39 54 A D H X S+ 0 0 81 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.935 112.0 47.9 -58.9 -44.0 28.3 3.7 22.6 40 55 A A H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 41,-1.5 0.834 111.8 51.1 -65.8 -35.2 27.5 5.8 25.7 41 56 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 39,-0.3 -2,-0.2 0.915 107.1 52.5 -68.3 -41.7 23.8 5.0 25.2 42 57 A D H X S+ 0 0 77 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.897 108.2 53.7 -57.4 -38.8 24.6 1.3 25.0 43 58 A K H X S+ 0 0 120 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.915 109.5 44.1 -70.4 -47.4 26.5 1.6 28.3 44 59 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.906 114.2 51.5 -58.3 -43.5 23.6 3.1 30.2 45 60 A R H X S+ 0 0 113 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.939 111.6 46.6 -56.5 -52.4 21.2 0.6 28.7 46 61 A Y H >X S+ 0 0 172 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.916 112.9 48.9 -58.1 -46.4 23.4 -2.3 29.7 47 62 A E H >X S+ 0 0 70 -4,-2.6 3,-1.2 1,-0.2 4,-1.2 0.902 107.4 56.3 -62.4 -38.3 23.9 -1.0 33.2 48 63 A T H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.721 88.8 74.7 -68.8 -23.2 20.2 -0.4 33.7 49 64 A L H << S+ 0 0 122 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.816 112.7 26.7 -53.8 -33.9 19.3 -4.1 32.9 50 65 A T H << S+ 0 0 130 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.576 136.0 30.6-106.5 -15.0 20.7 -4.9 36.4 51 66 A D >< - 0 0 62 -4,-1.2 3,-1.7 1,-0.1 -1,-0.2 -0.762 60.5-179.4-140.3 90.0 20.0 -1.6 38.1 52 67 A P G > S+ 0 0 93 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.746 77.4 75.9 -64.8 -18.0 17.0 0.2 36.8 53 68 A S G > S+ 0 0 61 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.746 76.1 77.3 -64.5 -20.6 17.6 3.0 39.2 54 69 A K G < S+ 0 0 49 -3,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.673 91.6 56.8 -59.5 -14.0 20.5 4.1 36.9 55 70 A L G X S+ 0 0 29 -3,-1.9 3,-2.3 -4,-0.2 -1,-0.3 0.409 72.3 97.7 -97.6 6.5 17.6 5.5 34.8 56 71 A D T < S+ 0 0 138 -3,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.739 80.1 62.0 -60.8 -23.9 16.1 7.8 37.5 57 72 A S T 3 S- 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.268 133.2 -35.8 -86.4 7.5 18.1 10.5 35.8 58 73 A G < - 0 0 28 -3,-2.3 -1,-0.3 108,-0.1 -2,-0.1 0.018 45.0-152.2 140.0 121.1 16.1 10.0 32.6 59 74 A K + 0 0 167 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.746 69.4 95.1 -80.5 -25.9 14.6 6.9 30.9 60 75 A E - 0 0 140 -5,-0.1 2,-0.6 1,-0.0 0, 0.0 -0.524 57.7-160.2 -77.0 131.3 14.7 8.2 27.3 61 76 A L + 0 0 20 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.964 38.8 120.8-113.4 108.1 17.7 7.0 25.3 62 77 A H - 0 0 32 -2,-0.6 17,-1.3 139,-0.2 2,-0.4 -0.958 52.5-120.6-162.0 172.1 18.2 9.3 22.3 63 78 A I E -Bc 78 203A 0 139,-2.7 141,-3.0 -2,-0.3 2,-0.4 -0.993 18.8-162.5-129.1 132.2 20.4 11.7 20.3 64 79 A N E -Bc 77 204A 22 13,-3.2 13,-2.9 -2,-0.4 2,-0.5 -0.930 5.3-157.6-118.6 136.4 19.5 15.3 19.4 65 80 A L E -Bc 76 205A 1 139,-2.8 141,-2.8 -2,-0.4 11,-0.2 -0.975 15.2-173.9-110.0 121.3 21.2 17.3 16.6 66 81 A I E -B 75 0A 52 9,-3.1 9,-2.2 -2,-0.5 2,-0.3 -0.879 5.9-168.6-126.7 100.2 20.7 21.0 17.2 67 82 A P E -B 74 0A 9 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.652 2.3-174.0 -85.1 141.7 22.0 23.5 14.6 68 83 A N E >> -B 73 0A 49 5,-2.3 5,-2.2 -2,-0.3 4,-0.7 -0.875 7.5-172.9-137.9 100.9 22.1 27.2 15.5 69 84 A K T 45S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.756 83.9 56.6 -66.5 -24.5 23.0 29.6 12.6 70 85 A Q T 45S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.839 116.5 32.5 -76.2 -38.2 23.2 32.6 14.9 71 86 A D T 45S- 0 0 106 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.423 106.3-127.5 -94.4 -7.5 25.8 31.2 17.3 72 87 A R T <5 + 0 0 76 -4,-0.7 103,-2.2 1,-0.2 2,-0.4 0.910 62.4 137.5 56.3 48.2 27.3 29.3 14.4 73 88 A T E < -BD 68 174A 11 -5,-2.2 -5,-2.3 101,-0.2 2,-0.5 -0.944 45.7-160.6-125.4 149.3 27.1 26.0 16.5 74 89 A L E -BD 67 173A 2 99,-2.0 99,-2.9 -2,-0.4 2,-0.5 -0.997 20.7-164.5-122.5 122.2 26.1 22.4 15.9 75 90 A T E -BD 66 172A 18 -9,-2.2 -9,-3.1 -2,-0.5 2,-0.5 -0.943 9.9-162.6-114.8 127.0 25.3 20.6 19.1 76 91 A I E -BD 65 171A 0 95,-2.4 95,-3.0 -2,-0.5 2,-0.4 -0.949 15.2-173.4-105.9 121.2 25.0 16.8 19.5 77 92 A V E +BD 64 170A 20 -13,-2.9 -13,-3.2 -2,-0.5 2,-0.3 -0.959 7.0 174.7-118.2 135.1 23.2 15.7 22.6 78 93 A D E -BD 63 169A 7 91,-3.0 91,-1.6 -2,-0.4 -15,-0.2 -0.926 32.9-142.4-129.6 158.6 22.8 12.2 24.0 79 94 A T + 0 0 30 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.260 61.5 131.9-104.7 39.0 21.2 10.8 27.2 80 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.109 78.8 -68.4 -72.0-165.1 24.0 8.1 27.4 81 96 A I - 0 0 11 -41,-1.5 59,-0.6 1,-0.1 87,-0.2 0.735 67.8-146.9 -66.5 -24.7 26.1 7.3 30.5 82 97 A G - 0 0 3 57,-0.2 2,-0.4 85,-0.2 57,-0.2 -0.181 15.8 -88.8 79.2 176.8 28.0 10.5 30.6 83 98 A M - 0 0 26 85,-0.4 56,-0.5 62,-0.1 62,-0.2 -0.984 25.1-129.5-128.9 144.2 31.5 11.0 31.8 84 99 A T > - 0 0 27 -2,-0.4 4,-2.8 54,-0.1 5,-0.2 -0.465 37.5-102.7 -80.1 164.4 33.0 11.7 35.2 85 100 A K H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.899 125.5 53.4 -51.4 -47.6 35.5 14.5 35.7 86 101 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 108.1 47.9 -53.1 -54.7 38.3 11.9 35.6 87 102 A D H 4>S+ 0 0 58 2,-0.2 6,-1.8 1,-0.2 5,-0.6 0.880 110.1 55.3 -50.0 -46.9 37.1 10.4 32.2 88 103 A L H X5S+ 0 0 0 -4,-2.8 4,-1.8 4,-0.3 -2,-0.2 0.960 111.3 40.9 -57.1 -49.9 36.9 13.9 30.8 89 104 A I H <5S+ 0 0 50 -4,-2.0 2,-2.4 1,-0.3 -1,-0.2 0.876 103.8 70.2 -67.1 -37.0 40.5 14.7 31.7 90 105 A N T >X5S- 0 0 105 -4,-2.3 3,-0.8 -5,-0.2 4,-0.6 -0.376 136.3 -75.3 -77.9 59.4 41.7 11.2 30.6 91 106 A N G >45S- 0 0 9 -2,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.837 84.5 -61.7 48.5 45.1 41.0 12.1 27.0 92 107 A L G 3< + 0 0 117 25,-0.3 4,-2.9 -2,-0.2 5,-0.3 -0.469 50.6 161.0 -90.2 59.7 42.6 5.1 24.9 96 111 A A H > + 0 0 1 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.784 60.5 53.9 -62.3 -35.6 44.0 8.2 23.0 97 112 A K H > S+ 0 0 110 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.977 118.2 31.1 -65.0 -55.4 47.6 7.4 23.4 98 113 A S H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 120.6 54.7 -67.6 -37.6 47.7 3.8 22.0 99 114 A G H X S+ 0 0 3 -4,-2.9 4,-3.0 2,-0.2 -3,-0.2 0.931 107.0 49.9 -64.3 -44.9 44.9 4.7 19.6 100 115 A T H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.924 110.9 49.8 -52.9 -50.3 46.8 7.6 18.3 101 116 A K H X S+ 0 0 134 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.937 113.6 45.6 -53.8 -49.3 49.9 5.4 17.7 102 117 A A H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.939 113.0 51.1 -61.1 -41.1 47.7 2.8 15.9 103 118 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.920 110.4 48.3 -64.9 -39.6 46.1 5.5 13.9 104 119 A M H X S+ 0 0 61 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.913 110.0 50.8 -76.5 -33.9 49.4 7.0 12.8 105 120 A E H >X S+ 0 0 111 -4,-2.4 4,-2.4 -5,-0.2 3,-0.9 0.940 111.2 49.5 -57.4 -50.3 50.8 3.6 11.8 106 121 A A H 3<>S+ 0 0 21 -4,-2.7 5,-1.9 1,-0.2 4,-0.4 0.961 103.6 58.8 -54.7 -48.7 47.7 3.0 9.7 107 122 A L H 3<5S+ 0 0 44 -4,-2.6 3,-0.3 3,-0.2 -1,-0.2 0.757 110.1 45.5 -54.7 -23.7 48.0 6.4 8.1 108 123 A Q H <<5S+ 0 0 84 -3,-0.9 2,-0.6 -4,-0.9 -2,-0.2 0.964 107.6 55.6 -74.5 -66.4 51.4 5.1 6.9 109 124 A A T <5S- 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.258 135.9 -79.8 -53.1 10.0 50.1 1.7 5.8 110 125 A G T 5S+ 0 0 66 -2,-0.6 -3,-0.2 -4,-0.4 -1,-0.2 0.322 84.1 137.3 113.2 -9.8 47.6 3.5 3.5 111 126 A A < - 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