==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-03 1UA4 . COMPND 2 MOLECULE: ADP-DEPENDENT GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR S.ITO,J.J.JEONG,I.YOSHIOKA,S.KOGA,S.FUSHINOBU,H.SHOUN, . 454 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 1.1 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 . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 0 0 2 3 1 1 0 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 2 A P 0 0 84 0, 0.0 409,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 167.1 17.1 -8.0 19.7 2 3 A T > - 0 0 79 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.240 360.0-107.0 -73.9 167.6 17.5 -7.0 16.0 3 4 A W H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 120.3 55.6 -64.2 -39.2 17.3 -3.4 14.9 4 5 A E H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 109.0 47.4 -59.9 -40.7 13.9 -4.0 13.3 5 6 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 110.7 51.6 -68.2 -38.2 12.6 -5.3 16.7 6 7 A L H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.900 109.4 50.7 -64.7 -40.4 14.1 -2.4 18.5 7 8 A Y H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.937 109.7 50.4 -61.2 -47.9 12.4 -0.0 16.1 8 9 A K H X S+ 0 0 95 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.930 111.6 46.3 -56.8 -49.9 9.0 -1.7 16.6 9 10 A N H X S+ 0 0 98 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.886 110.9 55.1 -61.5 -38.9 9.2 -1.5 20.4 10 11 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.899 109.2 44.2 -62.8 -44.6 10.3 2.1 20.2 11 12 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.907 112.8 51.2 -70.6 -39.3 7.3 3.3 18.1 12 13 A E H X S+ 0 0 70 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.919 113.4 46.5 -62.8 -40.5 4.8 1.4 20.2 13 14 A K H X S+ 0 0 88 -4,-2.2 4,-2.4 -5,-0.2 3,-0.4 0.939 114.5 46.8 -65.6 -46.8 6.3 2.9 23.3 14 15 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.868 103.0 60.6 -65.0 -40.2 6.3 6.4 21.8 15 16 A I H < S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.1 37.7 -57.3 -32.4 2.8 6.4 20.4 16 17 A K H < S+ 0 0 119 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.877 122.9 39.1 -85.3 -41.7 1.6 5.8 24.0 17 18 A S H >< S+ 0 0 2 -4,-2.4 3,-2.2 1,-0.1 4,-0.4 0.890 102.9 64.0 -79.8 -42.9 4.1 8.1 25.9 18 19 A V G >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -1,-0.1 0.894 96.0 59.2 -50.7 -46.4 4.4 11.2 23.7 19 20 A P G 3 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.599 95.0 68.4 -61.2 -8.4 0.8 12.2 24.0 20 21 A K G < + 0 0 96 -3,-2.2 2,-0.2 -4,-0.1 -2,-0.2 0.617 69.2 110.4 -85.9 -14.5 1.3 12.4 27.8 21 22 A V < - 0 0 2 -3,-2.1 3,-0.1 -4,-0.4 430,-0.0 -0.463 60.3-151.3 -63.5 128.2 3.6 15.5 27.6 22 23 A K - 0 0 144 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.803 61.3 -24.6 -74.1 -33.8 1.7 18.4 29.1 23 24 A G - 0 0 5 103,-0.1 203,-3.2 2,-0.0 204,-1.2 -0.896 47.0-153.5-179.5 149.4 3.3 21.3 27.1 24 25 A V E -ab 128 227A 0 103,-1.8 105,-2.1 -2,-0.3 2,-0.4 -0.997 14.7-141.1-136.5 131.7 6.3 22.5 25.1 25 26 A L E -ab 129 228A 0 202,-2.6 204,-2.7 -2,-0.4 2,-0.4 -0.772 22.7-169.6 -90.1 133.0 7.5 26.1 24.6 26 27 A L E -ab 130 229A 0 103,-3.2 105,-2.4 -2,-0.4 2,-0.3 -0.986 14.4-138.5-129.6 128.6 8.9 26.7 21.0 27 28 A G E - b 0 230A 2 202,-2.1 204,-1.0 -2,-0.4 105,-0.1 -0.955 25.6 -33.3-155.5 168.8 10.8 29.7 19.8 28 29 A Y S S+ 0 0 2 202,-0.3 2,-0.6 -2,-0.3 204,-0.2 -0.975 86.9 61.3-121.8 -5.7 11.8 31.9 18.2 29 30 A N + 0 0 9 202,-0.3 85,-1.3 103,-0.1 84,-1.2 -0.768 44.8 155.7 -96.9 121.0 11.8 31.5 14.4 30 31 A T + 0 0 1 -2,-0.6 104,-0.4 83,-0.2 81,-0.3 -0.998 16.1 141.6-137.0 131.0 8.6 30.9 12.4 31 32 A N E -K 110 0B 1 79,-2.2 79,-2.9 -2,-0.4 2,-0.5 -0.864 50.7 -86.5-153.9-172.9 8.2 31.8 8.7 32 33 A I E -Kl 109 174B 0 141,-3.0 143,-2.2 -2,-0.3 2,-0.6 -0.945 35.9-148.2-109.1 124.6 6.8 30.8 5.4 33 34 A D E -Kl 108 175B 8 75,-3.0 75,-2.5 -2,-0.5 2,-0.8 -0.849 4.2-160.2 -97.5 122.5 8.9 28.5 3.3 34 35 A A E -Kl 107 176B 1 141,-2.9 143,-2.9 -2,-0.6 2,-0.5 -0.889 19.1-157.4-100.6 105.8 8.7 28.9 -0.5 35 36 A I E -Kl 106 177B 0 71,-3.1 70,-3.6 -2,-0.8 71,-1.6 -0.766 11.7-172.0 -95.5 123.1 10.0 25.6 -1.8 36 37 A K E - l 0 178B 26 141,-3.3 143,-2.5 -2,-0.5 2,-0.9 -0.935 18.4-144.8-113.4 131.2 11.4 25.2 -5.3 37 38 A Y E - l 0 179B 63 -2,-0.5 143,-0.2 141,-0.2 141,-0.1 -0.848 35.0-125.4 -94.0 105.5 12.3 21.9 -6.9 38 39 A L - 0 0 15 141,-2.3 2,-0.4 -2,-0.9 -1,-0.0 -0.104 16.6-149.5 -53.9 146.6 15.3 22.8 -9.0 39 40 A D > - 0 0 92 1,-0.1 4,-2.5 141,-0.1 5,-0.2 -0.983 12.2-137.2-120.4 127.7 15.5 22.1 -12.7 40 41 A S H > S+ 0 0 34 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.924 100.1 40.6 -49.7 -60.5 18.9 21.4 -14.3 41 42 A K H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.863 114.3 53.5 -61.7 -37.6 18.6 23.4 -17.5 42 43 A D H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 112.3 44.8 -62.8 -44.9 16.8 26.3 -15.8 43 44 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.899 111.3 52.6 -67.2 -41.0 19.6 26.6 -13.2 44 45 A E H X S+ 0 0 26 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.953 110.9 47.2 -59.9 -47.7 22.4 26.2 -15.9 45 46 A E H X S+ 0 0 111 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.907 113.1 48.8 -59.8 -42.8 20.9 29.0 -17.9 46 47 A R H X S+ 0 0 60 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.857 106.9 56.1 -67.0 -34.0 20.5 31.2 -14.8 47 48 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 8,-0.2 0.914 109.1 46.6 -64.5 -41.8 24.1 30.6 -13.8 48 49 A I H < S+ 0 0 105 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.922 111.6 50.9 -67.9 -41.5 25.3 31.8 -17.1 49 50 A K H < S+ 0 0 179 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 112.5 47.5 -62.3 -36.5 23.1 34.9 -17.0 50 51 A A H < S- 0 0 31 -4,-2.2 20,-0.3 -5,-0.2 -1,-0.2 0.780 132.2 -83.8 -75.2 -28.0 24.4 35.7 -13.5 51 52 A G X - 0 0 30 -4,-1.6 4,-2.0 -5,-0.2 3,-0.4 0.507 36.9-148.1 117.7 90.5 28.1 35.3 -14.4 52 53 A K H > S+ 0 0 69 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.805 92.8 58.2 -57.3 -38.4 29.2 31.6 -14.2 53 54 A E H > S+ 0 0 178 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 110.5 44.3 -61.5 -42.3 32.8 32.3 -13.2 54 55 A E H > S+ 0 0 87 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.908 110.8 54.8 -67.7 -41.3 31.6 34.1 -10.0 55 56 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 -8,-0.2 -2,-0.2 0.924 109.5 47.0 -56.5 -46.4 29.0 31.4 -9.4 56 57 A I H X S+ 0 0 34 -4,-2.6 4,-0.9 1,-0.2 3,-0.2 0.907 107.5 57.9 -62.5 -41.9 31.7 28.7 -9.5 57 58 A K H >X S+ 0 0 110 -4,-2.0 4,-1.3 1,-0.2 3,-0.9 0.931 110.1 42.6 -53.2 -50.2 33.9 30.8 -7.2 58 59 A Y H 3< S+ 0 0 32 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.719 105.4 62.6 -73.1 -20.5 31.2 30.9 -4.5 59 60 A S H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.663 108.3 45.1 -77.0 -13.7 30.4 27.2 -5.0 60 61 A E H << S+ 0 0 113 -3,-0.9 2,-0.3 -4,-0.9 -2,-0.2 0.737 129.3 22.6 -95.2 -30.0 34.0 26.6 -3.8 61 62 A E S < S- 0 0 147 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.852 82.5-135.1-142.9 102.8 33.8 29.0 -0.9 62 63 A L - 0 0 22 -2,-0.3 -3,-0.1 -3,-0.2 9,-0.0 -0.265 23.3-128.4 -56.8 133.9 30.4 30.0 0.6 63 64 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.272 19.2-114.1 -77.0 173.0 30.0 33.7 1.2 64 65 A D S S- 0 0 126 1,-0.2 25,-0.4 24,-0.1 2,-0.3 0.721 94.0 -10.6 -78.8 -22.0 28.9 35.0 4.6 65 66 A K S S- 0 0 79 23,-0.1 2,-0.6 205,-0.1 -1,-0.2 -0.940 79.8 -94.4-162.8 173.1 25.7 36.3 3.1 66 67 A I B +o 90 0C 0 23,-3.0 25,-1.6 -2,-0.3 26,-1.3 -0.903 44.9 149.7-109.1 121.8 24.1 36.9 -0.3 67 68 A N + 0 0 60 -2,-0.6 2,-0.3 24,-0.2 -1,-0.1 0.418 67.0 39.2-123.3 -7.8 24.3 40.3 -2.0 68 69 A T S > S- 0 0 48 1,-0.1 4,-1.6 26,-0.1 -1,-0.1 -0.931 78.4-116.4-140.1 163.7 24.3 39.2 -5.7 69 70 A V H > S+ 0 0 34 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.881 117.4 56.2 -68.5 -36.6 22.6 36.7 -7.9 70 71 A S H > S+ 0 0 4 -20,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.870 107.1 50.6 -63.1 -33.2 25.9 35.0 -8.6 71 72 A Q H > S+ 0 0 23 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.878 110.8 49.1 -70.4 -36.2 26.3 34.6 -4.8 72 73 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.951 115.8 40.6 -67.0 -51.6 22.8 33.1 -4.6 73 74 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.844 114.9 53.0 -68.0 -33.0 23.3 30.6 -7.4 74 75 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.847 108.6 49.8 -70.1 -34.0 26.9 29.8 -6.3 75 76 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.890 110.4 50.2 -70.7 -39.3 25.6 29.1 -2.8 76 77 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.939 111.8 48.3 -61.7 -44.4 23.0 26.8 -4.2 77 78 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.801 103.7 61.7 -65.9 -28.9 25.7 25.1 -6.2 78 79 A W H X S+ 0 0 20 -4,-1.6 4,-1.7 2,-0.2 6,-0.2 0.949 108.6 42.3 -60.5 -48.7 27.9 24.8 -3.1 79 80 A S H X>S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 5,-1.4 0.894 114.0 52.4 -64.9 -41.1 25.2 22.7 -1.5 80 81 A I H <5S+ 0 0 0 -4,-2.1 113,-0.3 2,-0.2 -2,-0.2 0.939 108.7 48.8 -60.4 -50.3 24.7 20.7 -4.7 81 82 A R H <5S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 123.0 32.5 -59.8 -39.1 28.4 19.8 -5.2 82 83 A R H <5S- 0 0 71 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.601 97.7-130.6 -95.3 -12.3 28.7 18.6 -1.6 83 84 A G T <5 + 0 0 0 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.901 67.2 131.6 61.5 37.5 25.2 17.3 -1.1 84 85 A K < - 0 0 5 -5,-1.4 -1,-0.3 -6,-0.2 2,-0.2 -0.931 59.8-112.0-126.4 149.1 25.3 19.3 2.1 85 86 A A + 0 0 10 -2,-0.3 2,-0.3 -3,-0.1 112,-0.2 -0.523 38.8 163.4 -81.5 142.7 22.8 21.7 3.7 86 87 A A E -m 197 0B 2 110,-1.0 112,-2.3 -2,-0.2 2,-0.3 -0.974 17.2-163.6-151.9 159.3 23.5 25.5 4.0 87 88 A E E +m 198 0B 30 -2,-0.3 2,-0.3 110,-0.2 112,-0.2 -0.975 9.4 179.0-149.8 132.7 21.5 28.7 4.6 88 89 A L E -m 199 0B 1 110,-2.4 112,-2.2 -2,-0.3 2,-0.4 -0.953 32.3-106.5-135.4 156.2 22.5 32.3 4.1 89 90 A F E -m 200 0B 47 -25,-0.4 -23,-3.0 -2,-0.3 2,-1.2 -0.664 23.4-141.0 -82.5 128.2 20.8 35.7 4.6 90 91 A V B +o 66 0C 0 110,-2.9 -23,-0.2 -2,-0.4 6,-0.1 -0.767 28.8 169.9 -91.3 96.3 19.7 37.4 1.4 91 92 A E + 0 0 89 -25,-1.6 2,-0.4 -2,-1.2 -24,-0.2 0.786 48.8 89.2 -77.2 -29.7 20.6 41.0 2.2 92 93 A S > - 0 0 21 -26,-1.3 4,-1.9 -3,-0.2 5,-0.2 -0.554 61.0-156.9 -77.5 126.4 20.1 42.4 -1.3 93 94 A C H > S+ 0 0 96 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.917 96.2 56.0 -66.3 -41.7 16.6 43.6 -2.2 94 95 A P H > S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.885 108.3 48.7 -58.0 -36.7 17.4 43.1 -6.0 95 96 A V H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 108.9 51.1 -70.8 -40.0 18.2 39.5 -5.2 96 97 A R H X S+ 0 0 37 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.906 110.3 51.1 -62.3 -37.9 15.0 38.9 -3.2 97 98 A F H X S+ 0 0 99 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.906 108.6 51.1 -63.7 -41.6 13.2 40.4 -6.2 98 99 A Y H X S+ 0 0 48 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.902 110.7 49.2 -61.4 -41.4 15.0 37.9 -8.5 99 100 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.878 107.4 53.9 -67.0 -39.0 14.0 35.1 -6.2 100 101 A K H < S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 111.8 44.8 -61.9 -43.2 10.3 36.2 -6.1 101 102 A R H < S+ 0 0 185 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 106.5 59.7 -70.1 -34.0 10.2 36.1 -9.9 102 103 A W H < S- 0 0 13 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.851 98.4-169.1 -62.7 -33.8 12.0 32.8 -10.0 103 104 A G < - 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0 0 1 -4,-0.2 -6,-0.1 1,-0.2 -2,-0.1 -0.228 40.4 -78.9 -59.1 150.5 30.9 10.8 7.8 318 319 A D > - 0 0 48 -8,-0.4 4,-1.9 1,-0.1 -1,-0.2 -0.292 35.8-150.2 -55.7 122.9 33.2 8.9 10.1 319 320 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.739 94.8 55.3 -66.7 -26.5 31.4 8.1 13.4 320 321 A I H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 107.9 48.4 -73.2 -44.0 34.6 8.3 15.5 321 322 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 113.3 49.0 -60.4 -42.2 35.4 11.8 14.3 322 323 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.948 111.3 48.4 -63.4 -47.4 31.8 12.7 15.1 323 324 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.900 112.0 48.6 -60.5 -41.3 32.0 11.2 18.6 324 325 A E H X S+ 0 0 78 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.884 111.2 51.5 -66.2 -36.0 35.3 13.0 19.3 325 326 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.907 109.6 49.5 -65.9 -42.1 33.8 16.2 18.1 326 327 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.889 108.0 53.9 -64.9 -38.9 30.8 15.7 20.4 327 328 A L H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.912 108.4 49.5 -61.7 -41.8 33.1 15.1 23.3 328 329 A K H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.914 111.6 49.3 -63.1 -42.3 34.9 18.3 22.7 329 330 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.4 0.911 112.2 47.4 -63.8 -43.5 31.6 20.2 22.5 330 331 A A H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.928 113.0 47.4 -65.1 -46.3 30.3 18.7 25.8 331 332 A K H < S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.5 48.1 -62.0 -40.4 33.5 19.3 27.7 332 333 A K H < S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.917 127.6 20.2 -66.5 -46.2 33.7 22.9 26.5 333 334 A T H < S- 0 0 19 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.780 87.3-129.6 -99.3 -33.6 30.1 23.9 27.2 334 335 A G < + 0 0 38 -4,-2.6 -4,-0.1 -5,-0.4 -3,-0.1 0.642 46.6 160.7 89.1 12.9 28.6 21.5 29.8 335 336 A V - 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0 0 94 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.739 62.8 -0.4-106.9 -35.2 -0.3 13.9 9.1 379 380 A S > - 0 0 43 1,-0.1 4,-0.8 -255,-0.0 3,-0.4 -0.973 65.2-106.7-153.5 166.7 -0.5 11.3 11.9 380 381 A L H > S+ 0 0 26 -257,-0.4 4,-1.9 -2,-0.3 3,-0.1 0.767 115.9 65.7 -65.4 -25.6 1.4 9.1 14.3 381 382 A E H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 94.3 56.1 -63.2 -42.4 0.2 6.2 12.1 382 383 A E H > S+ 0 0 24 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.842 107.2 51.6 -58.2 -32.1 2.2 7.4 9.2 383 384 A I H >< S+ 0 0 0 -4,-0.8 3,-0.5 2,-0.2 -1,-0.2 0.909 108.9 48.5 -71.0 -42.5 5.2 7.2 11.5 384 385 A R H >< S+ 0 0 68 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.887 106.5 58.1 -64.1 -38.0 4.4 3.6 12.4 385 386 A E H >< S+ 0 0 101 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.777 89.9 74.0 -62.0 -28.1 4.0 2.8 8.7 386 387 A A G X< + 0 0 0 -4,-0.9 3,-1.9 -3,-0.5 -1,-0.3 0.561 69.5 88.5 -64.8 -8.0 7.6 3.9 8.1 387 388 A T G < S+ 0 0 40 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.749 76.9 67.1 -63.3 -20.3 8.9 0.7 9.8 388 389 A S G < S+ 0 0 97 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.652 75.9 99.7 -73.9 -15.5 8.7 -0.9 6.3 389 390 A V S < S- 0 0 13 -3,-1.9 39,-0.1 -4,-0.1 3,-0.1 -0.626 83.4-118.8 -73.4 121.7 11.5 1.4 5.1 390 391 A P - 0 0 95 0, 0.0 37,-0.7 0, 0.0 2,-0.2 -0.225 22.5-106.0 -62.1 148.3 14.6 -0.7 5.3 391 392 A V B -R 426 0F 31 35,-0.2 35,-0.3 1,-0.1 34,-0.1 -0.576 50.1-101.0 -71.3 136.3 17.6 0.3 7.5 392 393 A N > - 0 0 27 33,-2.7 3,-0.7 -2,-0.2 4,-0.2 -0.339 22.1-135.4 -65.4 142.0 20.3 1.6 5.2 393 394 A E T > S+ 0 0 151 1,-0.2 3,-2.2 2,-0.2 4,-0.4 0.869 97.8 63.7 -63.3 -43.9 23.1 -0.8 4.3 394 395 A K T >> S+ 0 0 136 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.734 88.3 72.3 -57.1 -23.0 26.0 1.6 4.8 395 396 A A H <> S+ 0 0 1 -3,-0.7 4,-2.6 1,-0.2 -1,-0.3 0.695 81.9 73.0 -67.1 -17.9 25.1 2.0 8.5 396 397 A T H <> S+ 0 0 73 -3,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.948 100.4 42.0 -60.8 -48.7 26.5 -1.6 9.0 397 398 A Q H <> S+ 0 0 112 -3,-0.6 4,-2.1 -4,-0.4 -1,-0.2 0.856 112.4 55.4 -66.4 -35.3 30.1 -0.4 8.6 398 399 A V H X S+ 0 0 4 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.933 108.2 47.9 -63.3 -45.8 29.4 2.7 10.7 399 400 A E H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.894 109.9 53.8 -62.0 -38.9 28.1 0.6 13.6 400 401 A E H X S+ 0 0 90 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.883 105.1 52.5 -64.7 -39.2 31.2 -1.7 13.3 401 402 A K H X S+ 0 0 104 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.926 112.3 46.5 -62.0 -43.6 33.6 1.3 13.6 402 403 A L H X>S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.9 0.866 111.2 51.3 -66.8 -37.8 31.8 2.4 16.8 403 404 A R H X5S+ 0 0 116 -4,-2.3 4,-1.8 4,-0.2 -2,-0.2 0.961 112.1 46.0 -63.9 -50.8 31.8 -1.1 18.2 404 405 A A H <5S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 121.6 38.4 -59.6 -37.0 35.5 -1.6 17.6 405 406 A E H <5S+ 0 0 107 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 137.9 8.6 -82.9 -47.2 36.3 1.9 19.1 406 407 A Y H <5S- 0 0 40 -4,-3.1 8,-0.6 -5,-0.2 -3,-0.2 0.532 93.0-118.9-114.6 -10.2 33.9 2.2 22.0 407 408 A G << - 0 0 47 -4,-1.8 -4,-0.2 -5,-0.9 -3,-0.1 0.823 41.2-176.9 76.7 32.0 32.3 -1.2 22.4 408 409 A I - 0 0 9 -6,-0.6 2,-0.4 -9,-0.2 5,-0.3 -0.328 8.2-161.0 -64.0 145.7 28.7 -0.2 21.7 409 410 A K B > S-I 412 0A 151 3,-2.6 3,-1.8 1,-0.1 -1,-0.0 -0.994 73.6 -9.6-132.5 123.7 26.2 -3.0 22.0 410 411 A E T 3 S- 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.894 135.1 -52.1 53.9 40.0 22.7 -2.7 20.5 411 412 A G T 3 S+ 0 0 0 1,-0.1 11,-3.0 10,-0.1 2,-0.4 0.476 119.0 106.5 78.3 5.1 23.6 0.9 19.9 412 413 A I E < +IJ 409 421A 30 -3,-1.8 -3,-2.6 9,-0.2 2,-0.3 -0.962 33.7 134.8-125.3 131.7 24.7 1.7 23.4 413 414 A G E - J 0 420A 10 7,-2.2 7,-2.6 -2,-0.4 2,-0.4 -0.857 39.7-112.5-151.9-175.4 28.1 2.2 24.9 414 415 A E E + J 0 419A 121 -8,-0.6 2,-0.3 5,-0.3 5,-0.2 -0.984 20.6 178.9-133.7 144.5 30.2 4.5 27.1 415 416 A V E > S- J 0 418A 15 3,-2.7 3,-2.0 -2,-0.4 -9,-0.0 -0.927 74.4 -22.0-147.8 117.7 33.1 6.8 26.5 416 417 A E T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.805 126.9 -49.9 52.9 36.1 34.8 8.9 29.2 417 418 A G T 3 S+ 0 0 56 1,-0.4 -1,-0.3 -65,-0.0 2,-0.2 0.097 118.3 107.6 94.6 -24.3 31.8 8.7 31.5 418 419 A Y E < S- J 0 415A 40 -3,-2.0 -3,-2.7 1,-0.0 2,-0.4 -0.521 70.4-123.8 -84.4 154.6 29.3 9.7 28.8 419 420 A Q E -HJ 350 414A 9 -69,-2.7 -69,-2.2 -67,-0.5 2,-0.5 -0.825 21.1-153.9 -96.3 137.9 26.9 7.3 27.2 420 421 A I E -HJ 349 413A 0 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.4 -0.972 10.7-167.6-115.2 121.5 27.1 7.1 23.5 421 422 A A E -HJ 348 412A 0 -73,-2.6 -73,-2.1 -2,-0.5 2,-0.3 -0.929 6.3-178.3-112.9 135.7 24.0 6.0 21.7 422 423 A F E +H 347 0A 0 -11,-3.0 -75,-0.2 -2,-0.4 -61,-0.0 -0.952 7.3 179.6-132.0 149.1 23.8 5.0 18.0 423 424 A I E -H 346 0A 0 -77,-1.6 -77,-1.6 -2,-0.3 2,-0.4 -0.992 27.5-128.2-148.1 142.1 21.1 3.9 15.6 424 425 A P E -H 345 0A 4 0, 0.0 -79,-0.2 0, 0.0 2,-0.1 -0.778 38.9-132.8 -87.6 134.0 21.2 2.9 11.9 425 426 A T - 0 0 3 -81,-1.8 -33,-2.7 -2,-0.4 2,-0.8 -0.456 6.5-116.3 -93.5 164.0 18.5 5.0 10.1 426 427 A K B -R 391 0F 7 -35,-0.3 2,-0.5 -61,-0.1 -35,-0.2 -0.850 33.5-159.0 -98.7 105.9 15.7 4.2 7.6 427 428 A I - 0 0 47 -2,-0.8 2,-0.5 -37,-0.7 -58,-0.1 -0.759 10.5-137.6 -92.8 126.0 16.5 6.0 4.4 428 429 A V - 0 0 20 -2,-0.5 -39,-0.0 1,-0.1 -2,-0.0 -0.696 10.2-145.7 -81.9 125.7 13.7 6.7 1.9 429 430 A A S S+ 0 0 85 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.887 90.5 26.3 -59.1 -46.4 14.9 6.0 -1.7 430 431 A K S S- 0 0 187 -249,-0.1 -1,-0.3 3,-0.0 2,-0.1 -0.682 80.9-174.6-123.3 77.9 12.9 8.7 -3.4 431 432 A P - 0 0 30 0, 0.0 -58,-0.2 0, 0.0 3,-0.1 -0.364 25.1-139.6 -71.4 150.7 12.2 11.5 -0.9 432 433 A K S S- 0 0 95 -60,-2.5 2,-0.3 1,-0.3 -59,-0.1 0.928 77.1 -25.2 -74.4 -46.4 10.0 14.5 -1.9 433 434 A S - 0 0 5 -61,-0.5 -1,-0.3 -62,-0.2 -58,-0.2 -0.959 45.0-140.5-159.1 169.5 12.1 17.1 -0.2 434 435 A T > + 0 0 21 -2,-0.3 3,-1.9 -239,-0.2 4,-0.5 0.643 60.2 114.3-113.5 -21.3 14.6 17.5 2.7 435 436 A V T 3 S+ 0 0 8 1,-0.3 -2,-0.1 2,-0.1 -258,-0.0 -0.255 86.2 12.2 -57.0 132.7 13.8 20.8 4.3 436 437 A G T 3> S+ 0 0 7 1,-0.0 4,-1.8 -60,-0.0 -1,-0.3 0.311 90.6 109.8 86.4 -11.1 12.5 20.4 7.9 437 438 A I H <> S+ 0 0 30 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.918 78.2 54.9 -64.5 -40.0 13.5 16.7 8.3 438 439 A G H > S+ 0 0 19 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.891 107.3 49.8 -58.4 -39.3 16.2 17.7 10.8 439 440 A D H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.883 109.7 50.9 -66.9 -38.4 13.6 19.6 12.9 440 441 A T H X S+ 0 0 3 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.905 112.5 48.0 -63.3 -42.9 11.4 16.5 12.8 441 442 A I H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.965 115.3 41.6 -63.1 -55.6 14.3 14.4 14.0 442 443 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.922 117.8 44.7 -62.8 -47.0 15.5 16.7 16.8 443 444 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.4 0.911 113.3 50.6 -66.4 -41.6 12.1 17.6 18.2 444 445 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.907 113.6 44.5 -62.3 -43.4 10.8 14.0 18.1 445 446 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.900 114.7 48.4 -69.0 -41.3 13.8 12.6 19.9 446 447 A F H X S+ 0 0 7 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.958 119.6 36.9 -64.7 -51.1 13.9 15.3 22.6 447 448 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.891 118.3 53.0 -68.4 -38.5 10.1 15.1 23.4 448 449 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.4 -2,-0.2 0.950 108.6 47.9 -61.3 -50.6 10.2 11.3 22.9 449 450 A E H < S+ 0 0 10 -4,-3.0 3,-0.3 1,-0.2 4,-0.3 0.921 113.9 47.6 -57.7 -46.0 13.1 10.8 25.3 450 451 A F H >< S+ 0 0 44 -4,-1.9 3,-2.0 -5,-0.2 4,-0.3 0.920 107.5 55.8 -61.8 -43.4 11.4 13.0 27.9 451 452 A S H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.808 98.6 63.1 -59.7 -29.6 8.1 11.2 27.5 452 453 A F T 3< S+ 0 0 22 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.611 97.8 57.0 -71.0 -11.7 9.8 7.9 28.3 453 454 A T T < 0 0 84 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.484 360.0 360.0 -96.4 -4.7 10.6 9.2 31.8 454 455 A L < 0 0 116 -3,-1.2 -433,-0.0 -4,-0.3 -437,-0.0 -0.250 360.0 360.0 -77.8 360.0 7.0 9.9 32.6