==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 17-MAR-11 3R4P . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.S.GAJIWALA . 444 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 20.5 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 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 . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 0 2 0 1 0 3 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 3 1 6 1 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 0 0 0 0 0 0 0 0 0 0 1 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 9 A D 0 0 208 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.3 1.0 -12.7 15.8 2 10 A Q - 0 0 168 1,-0.1 2,-0.1 2,-0.0 3,-0.0 -0.721 360.0-108.4-103.5 143.9 3.2 -13.1 18.9 3 11 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.362 14.8-133.8 -67.9 143.7 3.8 -10.5 21.6 4 12 A M S S+ 0 0 174 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.933 93.2 7.5 -55.6 -47.3 7.2 -8.7 21.8 5 13 A E - 0 0 104 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.956 62.0-176.4-134.9 151.6 7.1 -9.5 25.6 6 14 A E + 0 0 178 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.969 14.1 166.5-141.9 138.0 4.9 -11.4 28.0 7 15 A E - 0 0 71 -2,-0.3 2,-0.3 158,-0.0 -2,-0.0 -0.991 35.0-114.5-152.2 150.9 5.2 -11.5 31.7 8 16 A E - 0 0 154 -2,-0.3 158,-0.5 2,-0.0 2,-0.5 -0.602 28.5-163.0 -80.9 132.7 3.3 -12.6 34.8 9 17 A V - 0 0 54 -2,-0.3 2,-0.4 156,-0.1 156,-0.2 -0.980 1.7-157.6-119.0 129.2 2.3 -9.9 37.1 10 18 A E E -A 164 0A 51 154,-2.7 154,-2.4 -2,-0.5 2,-0.5 -0.870 2.2-155.9-104.5 138.0 1.2 -10.6 40.7 11 19 A T E -A 163 0A 96 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.965 13.4-172.5-114.0 128.1 -1.0 -8.2 42.7 12 20 A F E -A 162 0A 62 150,-3.0 150,-2.5 -2,-0.5 2,-0.3 -0.915 21.7-124.1-119.3 145.2 -0.8 -8.4 46.5 13 21 A A E -A 161 0A 75 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.674 30.6-117.5 -82.0 139.9 -2.9 -6.7 49.2 14 22 A F - 0 0 15 146,-2.3 87,-0.2 -2,-0.3 86,-0.1 -0.468 37.0 -96.8 -67.1 146.4 -1.0 -4.6 51.8 15 23 A Q > - 0 0 46 85,-3.4 4,-2.3 -2,-0.1 3,-0.5 -0.388 44.8-108.1 -57.7 147.8 -1.3 -5.8 55.4 16 24 A A H > S+ 0 0 62 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.860 115.8 47.9 -57.7 -44.9 -4.1 -3.6 56.9 17 25 A E H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.852 111.2 51.6 -66.8 -34.3 -1.9 -1.5 59.2 18 26 A I H > S+ 0 0 6 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.923 109.4 49.5 -68.5 -41.9 0.5 -0.7 56.3 19 27 A A H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.929 111.2 51.5 -57.6 -44.5 -2.4 0.3 54.1 20 28 A Q H X S+ 0 0 112 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.923 110.7 47.2 -57.8 -47.4 -3.5 2.5 57.0 21 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.907 110.4 51.7 -63.5 -43.0 -0.1 4.1 57.3 22 30 A M H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.876 109.2 51.1 -63.3 -36.5 0.2 4.7 53.5 23 31 A S H X S+ 0 0 63 -4,-2.1 4,-1.4 -5,-0.2 5,-0.3 0.915 110.9 47.8 -66.5 -42.5 -3.2 6.4 53.5 24 32 A L H X S+ 0 0 61 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.934 116.5 43.9 -62.6 -46.8 -2.2 8.7 56.4 25 33 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 114.9 45.1 -66.8 -43.7 1.1 9.6 54.8 26 34 A I H < S+ 0 0 34 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.745 122.6 36.0 -79.0 -20.7 0.0 10.2 51.2 27 35 A N H < S+ 0 0 122 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.757 97.4 85.7-102.0 -31.2 -3.0 12.3 52.2 28 36 A T S < S- 0 0 53 -4,-2.0 2,-0.3 -5,-0.3 -4,-0.0 -0.463 75.8-117.5 -84.2 145.1 -2.0 14.3 55.2 29 37 A F + 0 0 167 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.619 36.1 172.0 -76.3 134.5 -0.3 17.7 55.1 30 38 A Y - 0 0 39 -2,-0.3 3,-0.4 105,-0.1 -5,-0.0 -0.987 28.5-148.1-140.5 146.1 3.2 17.8 56.6 31 39 A S S S+ 0 0 110 -2,-0.3 3,-0.2 1,-0.2 -2,-0.0 0.512 91.5 55.7 -93.5 -6.2 5.6 20.7 56.5 32 40 A N > + 0 0 39 1,-0.1 3,-1.5 2,-0.0 -1,-0.2 -0.281 58.6 142.2-121.7 47.6 8.8 18.7 56.5 33 41 A K T > + 0 0 27 -3,-0.4 3,-2.0 1,-0.3 4,-0.2 0.696 53.5 83.1 -66.0 -20.4 8.4 16.4 53.6 34 42 A E T >> + 0 0 32 1,-0.3 3,-1.4 -3,-0.2 4,-0.6 0.646 69.4 84.8 -60.1 -12.8 12.0 16.5 52.5 35 43 A I H <> + 0 0 6 -3,-1.5 4,-1.9 1,-0.3 -1,-0.3 0.687 68.6 80.3 -65.2 -17.1 12.8 13.9 55.2 36 44 A F H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.880 89.1 53.5 -55.7 -38.1 11.8 11.2 52.7 37 45 A L H <> S+ 0 0 2 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.890 105.8 51.9 -70.8 -36.7 15.2 11.4 51.0 38 46 A R H X S+ 0 0 59 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.899 110.2 50.3 -60.5 -41.5 17.1 10.9 54.3 39 47 A E H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.895 112.7 44.7 -67.4 -41.0 15.0 7.8 55.0 40 48 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.898 113.7 49.0 -71.3 -41.0 15.7 6.3 51.5 41 49 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.891 110.2 53.6 -64.6 -36.6 19.4 7.1 51.7 42 50 A S H X S+ 0 0 42 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.917 107.9 49.3 -61.2 -44.7 19.4 5.5 55.1 43 51 A N H X S+ 0 0 67 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.909 111.7 49.6 -61.0 -40.6 17.8 2.3 53.7 44 52 A S H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 109.3 51.0 -64.8 -43.7 20.4 2.3 51.0 45 53 A S H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.915 110.1 50.3 -59.4 -42.8 23.3 2.7 53.5 46 54 A D H X S+ 0 0 85 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.883 110.4 49.5 -63.3 -39.2 21.9 -0.2 55.5 47 55 A A H X S+ 0 0 17 -4,-2.1 4,-1.8 2,-0.2 41,-1.2 0.854 110.8 50.0 -69.2 -34.9 21.7 -2.4 52.4 48 56 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 39,-0.3 -2,-0.2 0.894 107.6 53.9 -69.6 -39.7 25.3 -1.5 51.5 49 57 A D H X S+ 0 0 74 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.904 107.5 53.2 -56.7 -41.3 26.4 -2.3 55.1 50 58 A K H X S+ 0 0 132 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 111.4 41.3 -66.4 -45.9 24.8 -5.7 54.7 51 59 A I H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.897 114.4 54.5 -71.0 -35.4 26.5 -6.7 51.5 52 60 A R H X S+ 0 0 106 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.947 107.7 49.3 -59.0 -49.4 29.8 -5.3 52.8 53 61 A Y H >X S+ 0 0 163 -4,-2.8 3,-0.8 1,-0.2 4,-0.5 0.899 110.7 50.6 -56.8 -42.5 29.5 -7.4 56.0 54 62 A E H >X S+ 0 0 60 -4,-1.9 4,-1.4 1,-0.2 3,-0.9 0.864 106.2 55.4 -63.9 -35.2 28.9 -10.5 53.8 55 63 A S H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.670 90.4 75.2 -74.4 -16.5 31.9 -9.7 51.7 56 64 A L H << S+ 0 0 123 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.848 113.5 22.5 -62.0 -33.6 34.1 -9.7 54.8 57 65 A T H << S+ 0 0 118 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.587 135.4 35.4-109.5 -17.9 34.0 -13.5 54.9 58 66 A D >< - 0 0 59 -4,-1.4 3,-2.2 -5,-0.1 -1,-0.2 -0.727 58.6-176.7-141.8 89.2 33.1 -14.2 51.3 59 67 A P G > S+ 0 0 88 0, 0.0 3,-2.2 0, 0.0 -4,-0.1 0.749 79.0 75.0 -57.4 -25.1 34.7 -11.9 48.7 60 68 A S G > S+ 0 0 57 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.655 76.2 77.9 -66.4 -13.9 32.8 -13.7 45.9 61 69 A K G < S+ 0 0 54 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.669 91.9 54.1 -66.4 -15.1 29.7 -11.9 47.1 62 70 A L G X S+ 0 0 27 -3,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.244 72.7 102.5-103.8 12.0 31.1 -8.8 45.3 63 71 A D T < S+ 0 0 116 -3,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.775 79.4 59.5 -61.5 -24.3 31.5 -10.6 42.0 64 72 A S T 3 S- 0 0 18 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.343 134.0 -37.0 -85.6 6.7 28.3 -8.7 41.0 65 73 A G < - 0 0 2 -3,-2.1 -1,-0.3 329,-0.1 -2,-0.1 -0.075 42.8-149.3 137.1 125.2 30.2 -5.5 41.6 66 74 A K + 0 0 72 326,-0.3 2,-0.2 -3,-0.2 -3,-0.1 0.744 69.2 97.6 -86.9 -26.4 32.8 -4.2 44.1 67 75 A E - 0 0 106 -5,-0.1 2,-0.6 1,-0.1 326,-0.0 -0.477 55.9-161.1 -73.2 130.3 31.7 -0.5 44.2 68 76 A L + 0 0 27 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.924 36.9 122.7-114.3 107.2 29.5 0.4 47.2 69 77 A H - 0 0 33 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.950 52.2-120.0-157.7 171.3 27.7 3.6 46.6 70 78 A I E -Bc 85 210A 0 139,-2.6 141,-2.4 -2,-0.3 2,-0.4 -0.987 21.6-162.9-124.3 130.6 24.4 5.6 46.3 71 79 A N E -Bc 84 211A 26 13,-3.0 13,-3.1 -2,-0.4 2,-0.5 -0.929 4.9-157.4-113.7 140.2 23.3 7.5 43.2 72 80 A L E -Bc 83 212A 0 139,-2.9 141,-2.9 -2,-0.4 11,-0.2 -0.970 13.0-174.4-115.6 125.6 20.6 10.1 43.0 73 81 A I E -B 82 0A 25 9,-2.8 9,-2.1 -2,-0.5 2,-0.4 -0.861 7.0-169.7-131.4 96.6 18.9 10.7 39.6 74 82 A P E -B 81 0A 4 0, 0.0 141,-2.3 0, 0.0 2,-0.4 -0.690 2.3-173.3 -79.3 135.3 16.4 13.4 39.0 75 83 A N E >> -Bd 80 215A 1 5,-2.9 5,-2.0 -2,-0.4 4,-0.9 -0.887 6.4-175.9-131.6 98.5 14.6 13.2 35.6 76 84 A K T 45S+ 0 0 121 139,-0.6 -1,-0.1 -2,-0.4 140,-0.1 0.790 83.0 57.7 -67.9 -27.6 12.4 16.3 35.0 77 85 A Q T 45S+ 0 0 93 138,-0.3 -1,-0.2 1,-0.2 139,-0.1 0.851 117.7 31.7 -72.6 -34.7 11.0 15.0 31.8 78 86 A D T 45S- 0 0 87 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.476 105.0-129.3 -93.4 -6.9 9.6 11.8 33.5 79 87 A R T <5 + 0 0 79 -4,-0.9 103,-2.0 1,-0.2 2,-0.4 0.909 63.5 135.3 48.9 48.4 9.0 13.8 36.8 80 88 A T E < -BE 75 181A 9 -5,-2.0 -5,-2.9 101,-0.2 2,-0.4 -0.943 45.1-161.7-122.9 146.5 10.9 11.0 38.6 81 89 A L E -BE 74 180A 1 99,-2.0 99,-3.1 -2,-0.4 2,-0.4 -0.997 18.6-164.3-120.4 124.5 13.6 11.0 41.3 82 90 A T E -BE 73 179A 15 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.5 -0.910 12.3-159.8-115.1 134.7 15.4 7.7 41.6 83 91 A I E -BE 72 178A 0 95,-2.5 95,-2.8 -2,-0.4 2,-0.4 -0.965 19.1-173.0-109.9 119.4 17.6 6.5 44.5 84 92 A V E +BE 71 177A 17 -13,-3.1 -13,-3.0 -2,-0.5 2,-0.3 -0.925 7.5 175.2-117.0 135.7 20.0 3.8 43.4 85 93 A D E -BE 70 176A 7 91,-2.5 91,-1.1 -2,-0.4 -15,-0.2 -0.945 34.0-140.6-132.1 161.3 22.3 1.7 45.6 86 94 A T + 0 0 16 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.154 63.5 129.4-104.3 35.4 24.6 -1.3 45.0 87 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.188 79.0 -66.0 -75.5-159.4 23.6 -2.8 48.3 88 96 A I - 0 0 24 -41,-1.2 59,-0.5 1,-0.1 87,-0.2 0.734 67.3-158.2 -71.4 -24.9 22.4 -6.3 49.0 89 97 A G - 0 0 6 57,-0.2 2,-0.3 85,-0.1 57,-0.2 -0.175 16.2 -84.9 74.5-173.6 19.2 -6.1 47.1 90 98 A M - 0 0 29 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.989 20.3-133.3-138.0 142.1 16.1 -8.3 47.6 91 99 A T > - 0 0 35 -2,-0.3 4,-2.3 54,-0.1 5,-0.1 -0.378 43.6 -99.6 -76.9 169.6 14.8 -11.7 46.4 92 100 A K H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 128.3 51.0 -58.6 -41.0 11.3 -11.9 45.1 93 101 A A H > S+ 0 0 51 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.902 106.7 54.6 -64.0 -40.7 10.2 -13.2 48.5 94 102 A D H > S+ 0 0 51 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.918 108.2 49.8 -56.3 -46.5 12.0 -10.3 50.2 95 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.956 115.6 41.0 -57.7 -51.7 10.0 -7.9 48.1 96 104 A I H <>S+ 0 0 26 -4,-2.2 5,-1.5 1,-0.2 6,-0.3 0.916 123.0 40.0 -67.7 -41.3 6.7 -9.5 48.9 97 105 A N H <>S+ 0 0 65 -4,-3.2 5,-1.0 -5,-0.2 3,-0.5 0.892 123.3 36.8 -72.8 -41.6 7.5 -10.0 52.6 98 106 A N H <5S+ 0 0 105 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.665 113.7 53.2 -93.9 -19.1 9.3 -6.8 53.3 99 107 A L T <5S- 0 0 16 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.1 -0.236 128.9 -35.8-116.1 43.8 7.3 -4.3 51.2 100 108 A G T 5S+ 0 0 0 -3,-0.5 -85,-3.4 2,-0.3 -82,-0.2 0.150 111.7 75.1 148.3 -26.5 3.7 -4.8 52.3 101 109 A T T > - 0 0 98 -2,-0.4 3,-1.6 1,-0.1 4,-0.7 -0.777 23.1-125.4 -96.3 147.6 5.9 -5.1 61.6 105 113 A S H 3> S+ 0 0 103 -2,-0.3 4,-1.8 1,-0.3 3,-0.1 0.794 109.4 63.7 -59.8 -27.5 5.3 -4.0 65.2 106 114 A G H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.654 88.5 69.3 -74.3 -14.9 6.6 -0.6 64.2 107 115 A T H <> S+ 0 0 2 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.972 110.4 29.9 -68.5 -54.3 3.8 0.1 61.8 108 116 A K H X S+ 0 0 122 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.869 117.9 60.1 -70.8 -36.8 1.1 0.4 64.4 109 117 A A H X S+ 0 0 29 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.927 105.5 48.1 -55.6 -46.0 3.6 1.7 66.9 110 118 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.904 111.9 47.4 -64.7 -42.8 4.4 4.7 64.6 111 119 A M H X S+ 0 0 24 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.884 112.1 51.3 -68.0 -36.9 0.8 5.6 64.0 112 120 A E H X S+ 0 0 116 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.910 109.8 51.2 -58.4 -44.3 0.2 5.3 67.8 113 121 A A H <>S+ 0 0 21 -4,-2.4 5,-2.9 -5,-0.2 -2,-0.2 0.890 107.5 51.5 -64.4 -41.3 3.1 7.6 68.3 114 122 A L H ><5S+ 0 0 31 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.904 109.5 49.7 -63.2 -40.9 1.8 10.2 65.9 115 123 A Q H 3<5S+ 0 0 179 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.8 55.4 -68.9 -25.7 -1.6 10.3 67.6 116 124 A A T 3<5S- 0 0 91 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.364 133.8 -89.6 -89.0 4.0 0.3 10.7 70.9 117 125 A G T < 5S+ 0 0 67 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.495 78.2 142.0 109.1 4.9 2.0 13.8 69.4 118 126 A A < - 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