==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE ACTIVATOR 09-JAN-12 3VF6 . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU . 451 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 9.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 23 5.1 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 . 168 37.3 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+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 1 2 0 0 2 1 0 0 3 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 1 1 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 . 1 0 1 1 2 0 0 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 1 0 1 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 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 H 0 0 227 0, 0.0 353,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.9 -54.6 8.0 -23.1 2 3 A H + 0 0 87 352,-0.0 2,-0.0 0, 0.0 0, 0.0 0.505 360.0 158.1 115.9 91.8 -56.1 9.0 -19.7 3 4 A E + 0 0 149 5,-0.0 5,-0.1 4,-0.0 4,-0.0 0.226 15.8 120.7-104.1-131.6 -56.4 12.8 -19.2 4 5 A N > - 0 0 75 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.987 40.3-154.6 58.7 96.6 -58.7 14.8 -16.8 5 6 A L H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.788 93.6 56.4 -61.8 -37.2 -56.8 17.0 -14.3 6 7 A Y H > S+ 0 0 156 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 111.8 41.4 -65.9 -44.2 -59.8 17.0 -11.9 7 8 A F H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 113.3 52.2 -71.6 -39.0 -59.8 13.1 -11.7 8 9 A Q H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.901 110.7 51.6 -58.2 -41.5 -56.0 12.8 -11.6 9 10 A G H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.841 107.2 50.3 -62.9 -40.8 -56.2 15.3 -8.7 10 11 A M H X S+ 0 0 55 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.892 108.9 52.5 -68.6 -39.4 -58.8 13.3 -6.8 11 12 A K H X S+ 0 0 52 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 109.2 49.9 -60.7 -44.7 -56.6 10.1 -7.2 12 13 A K H X S+ 0 0 71 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.891 109.3 52.0 -61.0 -39.3 -53.6 12.1 -5.7 13 14 A E H X S+ 0 0 112 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.852 110.5 46.9 -63.2 -42.6 -55.8 13.3 -2.7 14 15 A K H X S+ 0 0 113 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.860 111.2 53.2 -69.1 -34.6 -56.9 9.6 -1.9 15 16 A V H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 3,-0.4 0.952 106.9 51.6 -63.3 -47.0 -53.2 8.6 -2.2 16 17 A E H X S+ 0 0 74 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.861 105.9 54.9 -57.6 -38.7 -52.2 11.3 0.3 17 18 A Q H < S+ 0 0 138 -4,-1.6 4,-0.3 2,-0.2 -1,-0.2 0.874 112.8 42.4 -62.6 -39.9 -54.9 10.0 2.8 18 19 A I H >< S+ 0 0 17 -4,-1.6 3,-1.2 -3,-0.4 -2,-0.2 0.926 114.9 50.0 -72.6 -45.1 -53.3 6.5 2.6 19 20 A L H >< S+ 0 0 3 -4,-2.9 3,-2.0 1,-0.2 4,-0.2 0.732 92.6 76.7 -64.3 -27.0 -49.7 7.9 2.7 20 21 A A G >< S+ 0 0 40 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.731 77.9 75.5 -56.1 -25.6 -50.6 10.1 5.8 21 22 A E G < S+ 0 0 95 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.718 88.1 60.0 -60.4 -22.3 -50.4 6.8 7.9 22 23 A F G < S+ 0 0 8 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.597 81.5 113.7 -81.3 -16.7 -46.5 7.0 7.7 23 24 A Q < - 0 0 130 -3,-1.7 2,-0.4 -4,-0.2 344,-0.0 -0.258 45.4-168.6 -63.7 141.0 -46.4 10.5 9.4 24 25 A L - 0 0 25 4,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.988 13.0-144.1-130.0 121.0 -44.8 10.8 12.8 25 26 A Q > - 0 0 116 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.363 33.1-101.9 -76.5 166.6 -45.2 14.1 14.8 26 27 A E H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.859 124.9 54.7 -56.3 -39.3 -42.4 15.5 16.9 27 28 A E H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.830 104.9 51.3 -66.3 -36.0 -44.2 14.1 20.0 28 29 A D H > S+ 0 0 44 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.896 111.2 49.4 -64.5 -44.5 -44.3 10.6 18.5 29 30 A L H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.841 109.5 49.8 -64.3 -37.7 -40.6 10.8 17.9 30 31 A K H X S+ 0 0 75 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.871 111.0 51.5 -67.6 -36.3 -39.9 12.0 21.5 31 32 A K H X S+ 0 0 67 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.932 111.3 45.6 -62.5 -47.8 -42.0 9.1 22.7 32 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.916 114.0 50.8 -60.0 -46.2 -39.9 6.6 20.5 33 34 A M H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 110.8 47.0 -55.7 -53.4 -36.7 8.3 21.8 34 35 A R H X S+ 0 0 119 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.875 112.8 49.5 -57.7 -41.9 -37.8 8.1 25.5 35 36 A R H X S+ 0 0 65 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.891 111.1 50.4 -63.7 -40.6 -38.7 4.4 25.0 36 37 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.921 111.0 48.6 -60.7 -46.8 -35.3 3.7 23.3 37 38 A Q H X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.909 109.6 52.2 -62.3 -40.2 -33.5 5.4 26.2 38 39 A K H X S+ 0 0 135 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.7 46.6 -60.7 -45.5 -35.5 3.3 28.7 39 40 A E H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.850 109.8 53.6 -66.5 -35.8 -34.5 0.1 26.8 40 41 A M H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.912 108.0 49.5 -65.2 -42.2 -30.9 1.2 26.6 41 42 A D H X S+ 0 0 66 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.932 112.0 50.1 -60.4 -44.0 -30.9 1.7 30.4 42 43 A R H < S+ 0 0 44 -4,-2.0 3,-0.5 1,-0.2 6,-0.3 0.876 107.6 53.3 -60.3 -41.9 -32.4 -1.9 30.7 43 44 A G H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 107.6 50.9 -64.6 -33.9 -29.8 -3.4 28.5 44 45 A L H < S+ 0 0 6 -4,-1.6 192,-1.1 -3,-0.2 193,-0.4 0.705 94.5 85.4 -76.4 -26.3 -26.9 -2.0 30.5 45 46 A R S >X S- 0 0 67 -4,-0.9 4,-2.2 -3,-0.5 3,-0.7 -0.699 71.2-141.4 -87.7 134.2 -28.1 -3.3 33.9 46 47 A L T 34 S+ 0 0 113 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.868 102.5 57.9 -53.8 -42.1 -27.4 -6.8 35.2 47 48 A E T 34 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.828 122.9 20.5 -60.2 -37.2 -30.9 -7.0 36.7 48 49 A T T X> S+ 0 0 16 -3,-0.7 4,-1.6 -6,-0.3 3,-0.6 0.471 92.7 101.0-115.8 -3.6 -32.7 -6.4 33.3 49 50 A H T 3< S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -3,-0.1 0.870 81.1 53.5 -50.3 -49.7 -30.1 -7.3 30.6 50 51 A E T 34 S+ 0 0 147 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.851 116.5 38.1 -60.2 -34.0 -31.5 -10.8 29.8 51 52 A E T <4 S+ 0 0 125 -3,-0.6 -1,-0.2 -9,-0.1 -2,-0.2 0.660 90.0 111.6 -89.3 -16.5 -35.0 -9.3 29.2 52 53 A A < - 0 0 1 -4,-1.6 -13,-0.0 -3,-0.4 -12,-0.0 -0.344 55.8-154.8 -61.1 130.4 -33.9 -6.1 27.4 53 54 A S S S+ 0 0 12 1,-0.2 2,-0.8 -2,-0.1 200,-0.2 0.834 90.3 62.9 -72.5 -29.1 -34.8 -6.0 23.6 54 55 A V S S- 0 0 0 -15,-0.2 196,-0.2 1,-0.1 -1,-0.2 -0.846 77.8-163.3-100.3 105.3 -31.9 -3.5 23.2 55 56 A K - 0 0 47 -2,-0.8 195,-0.2 195,-0.4 -1,-0.1 0.707 5.0-158.5 -70.6 -24.8 -28.9 -5.6 24.2 56 57 A M - 0 0 2 193,-2.0 193,-0.3 1,-0.2 194,-0.1 0.921 23.2-157.7 48.8 54.2 -26.2 -2.8 24.8 57 58 A L E -A 248 0A 2 191,-2.3 191,-2.7 190,-0.1 -1,-0.2 -0.451 14.4-123.1 -72.9 125.6 -23.5 -5.4 24.3 58 59 A P E -A 247 0A 11 0, 0.0 92,-0.7 0, 0.0 189,-0.2 -0.440 22.6-168.7 -64.4 132.5 -20.0 -4.6 25.8 59 60 A T E - 0 0 4 187,-2.2 137,-0.2 2,-0.2 188,-0.1 0.472 30.6-127.9 -98.5 -13.0 -17.4 -4.8 22.9 60 61 A Y E + 0 0 46 186,-0.4 2,-0.7 1,-0.3 93,-0.2 0.560 67.7 132.9 69.1 10.3 -14.2 -4.7 25.0 61 62 A V E - 0 0 13 185,-0.3 185,-3.0 91,-0.1 -1,-0.3 -0.860 41.3-170.8 -89.1 113.4 -13.1 -1.8 22.8 62 63 A R E -A 245 0A 111 -2,-0.7 2,-0.3 183,-0.2 183,-0.2 -0.703 33.1 -98.2-108.8 160.9 -11.8 0.7 25.5 63 64 A S S S+ 0 0 58 181,-1.9 181,-0.1 -2,-0.2 -1,-0.0 -0.611 72.1 146.7 -71.2 132.4 -10.7 4.3 25.7 64 65 A T - 0 0 86 -2,-0.3 180,-0.0 179,-0.1 -1,-0.0 -0.425 57.1-154.9-126.2-162.4 -6.8 4.0 25.6 65 66 A P + 0 0 133 0, 0.0 -2,-0.0 0, 0.0 384,-0.0 0.605 45.2 130.8-110.4 163.3 -3.6 4.4 25.2 66 67 A E - 0 0 73 383,-0.1 383,-0.0 -2,-0.0 2,-0.0 0.401 64.0 -33.4 146.7-137.8 -1.9 1.8 25.2 67 68 A G - 0 0 34 385,-0.1 385,-0.5 2,-0.0 2,-0.3 -0.196 54.4-153.4 166.6 86.5 0.8 0.3 23.0 68 69 A S - 0 0 88 384,-0.1 2,-0.3 383,-0.1 381,-0.2 -0.608 3.8-148.9 -83.0 136.3 0.4 1.0 19.2 69 70 A E - 0 0 48 379,-0.9 2,-0.2 -2,-0.3 379,-0.1 -0.812 6.8-152.6-104.4 142.7 1.7 -1.3 16.5 70 71 A V + 0 0 82 -2,-0.3 2,-0.3 19,-0.0 21,-0.2 -0.712 50.2 45.2-107.5 161.8 2.9 -0.2 13.1 71 72 A G E S-F 90 0B 26 19,-3.2 19,-3.0 -2,-0.2 2,-0.3 -0.779 90.2 -6.8 113.3-154.3 3.0 -2.2 9.8 72 73 A D E +F 89 0B 43 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.696 51.8 175.0 -92.8 134.9 0.6 -4.5 7.9 73 74 A F E -F 88 0B 2 15,-2.2 15,-2.8 -2,-0.3 2,-0.5 -0.988 22.9-136.4-135.3 139.1 -2.8 -5.7 9.2 74 75 A L E -Fg 87 140B 0 65,-2.6 67,-2.9 -2,-0.3 2,-0.4 -0.873 17.4-162.9 -98.2 135.8 -5.4 -7.7 7.5 75 76 A S E -Fg 86 141B 1 11,-3.2 11,-2.3 -2,-0.5 2,-0.4 -0.941 2.4-166.6-114.7 140.5 -9.1 -6.7 7.9 76 77 A L E -Fg 85 142B 0 65,-2.1 67,-3.3 -2,-0.4 2,-0.4 -0.936 3.4-164.0-118.3 146.8 -12.1 -9.0 7.1 77 78 A D E +Fg 84 143B 13 7,-1.9 7,-2.1 -2,-0.4 2,-0.5 -0.891 14.0 166.8-140.5 110.1 -15.6 -7.6 6.8 78 79 A L E +Fg 83 144B 0 65,-2.8 67,-2.5 -2,-0.4 5,-0.1 -0.975 43.3 78.0-120.9 129.4 -18.7 -9.9 6.9 79 80 A G S S+ 0 0 2 3,-0.7 -1,-0.1 -2,-0.5 4,-0.1 0.313 76.1 68.8 160.9 -17.7 -22.2 -8.6 7.3 80 81 A G S S- 0 0 26 2,-0.8 -1,-0.2 -3,-0.2 65,-0.0 -0.097 104.5 -84.4 -93.6-157.5 -23.5 -7.2 4.0 81 82 A T S S+ 0 0 84 -2,-0.1 23,-1.7 -3,-0.1 2,-0.3 0.680 115.8 61.0 -83.5 -21.5 -24.2 -9.3 0.9 82 83 A N E S- H 0 103B 53 21,-0.2 -2,-0.8 19,-0.0 -3,-0.7 -0.728 74.5-141.8-108.2 156.0 -20.5 -9.0 0.1 83 84 A F E -FH 78 102B 0 19,-3.2 19,-3.0 -2,-0.3 2,-0.4 -0.959 20.6-158.1-116.2 132.1 -17.4 -10.1 2.0 84 85 A R E -FH 77 101B 63 -7,-2.1 -7,-1.9 -2,-0.4 2,-0.4 -0.939 12.4-168.1-121.7 139.2 -14.3 -7.8 2.0 85 86 A V E +FH 76 100B 0 15,-2.9 15,-2.5 -2,-0.4 2,-0.3 -0.961 16.0 177.9-120.8 132.7 -10.6 -8.4 2.6 86 87 A M E -FH 75 99B 5 -11,-2.3 -11,-3.2 -2,-0.4 2,-0.5 -0.996 23.5-148.3-139.3 139.9 -8.3 -5.4 3.0 87 88 A L E -FH 74 98B 2 11,-2.3 11,-1.7 -2,-0.3 10,-1.2 -0.962 22.8-165.5-108.4 125.8 -4.6 -5.0 3.7 88 89 A V E -FH 73 96B 0 -15,-2.8 -15,-2.2 -2,-0.5 2,-0.6 -0.954 12.2-152.3-119.2 132.6 -3.9 -1.9 5.8 89 90 A K E -FH 72 95B 103 6,-2.0 6,-2.3 -2,-0.4 2,-0.5 -0.927 13.5-162.9-105.1 115.2 -0.5 -0.2 6.3 90 91 A V E +F 71 0B 9 -19,-3.0 -19,-3.2 -2,-0.6 2,-0.3 -0.922 11.4 179.6-105.5 121.2 -0.3 1.7 9.6 91 92 A G 0 0 46 -2,-0.5 -22,-0.0 -21,-0.2 -2,-0.0 -0.918 360.0 360.0-122.4 149.1 2.6 4.2 10.0 92 93 A E 0 0 207 -2,-0.3 -2,-0.1 2,-0.0 0, 0.0 -0.519 360.0 360.0 64.6 360.0 3.6 6.6 12.8 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 100 A S 0 0 29 0, 0.0 2,-0.4 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 146.7 -3.3 4.5 7.9 95 101 A V E -H 89 0B 81 -6,-2.3 -6,-2.0 346,-0.0 2,-1.3 -0.976 360.0-132.5-127.0 122.6 -3.5 3.7 4.1 96 102 A K E +H 88 0B 53 -2,-0.4 -8,-0.2 -8,-0.2 3,-0.1 -0.566 36.4 170.7 -66.6 90.3 -5.8 1.1 2.5 97 103 A T E + 0 0 53 -2,-1.3 2,-0.3 -10,-1.2 -1,-0.2 0.883 60.6 16.2 -75.5 -42.7 -3.0 -0.4 0.3 98 104 A K E +H 87 0B 69 -11,-1.7 -11,-2.3 -3,-0.2 2,-0.3 -0.986 64.5 174.6-138.3 145.9 -5.0 -3.4 -1.0 99 105 A H E +H 86 0B 104 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.992 6.1 176.6-152.5 141.7 -8.7 -4.4 -1.2 100 106 A Q E -H 85 0B 55 -15,-2.5 -15,-2.9 -2,-0.3 2,-0.4 -0.968 12.3-157.0-148.9 132.6 -10.9 -7.2 -2.7 101 107 A M E -H 84 0B 109 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.870 9.0-164.7-108.9 142.4 -14.6 -7.7 -2.4 102 108 A Y E -H 83 0B 22 -19,-3.0 -19,-3.2 -2,-0.4 2,-0.4 -0.985 19.7-128.1-130.7 138.1 -16.3 -11.1 -2.9 103 109 A S E -H 82 0B 84 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.0 -0.707 27.0-132.1 -82.5 130.1 -20.0 -11.9 -3.4 104 110 A I - 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0 0 0 -4,-3.1 4,-1.7 -5,-0.1 3,-1.5 -0.084 66.4-127.1 -55.8 145.9 -32.7 -0.8 6.8 289 295 A G H 3> S+ 0 0 12 -68,-3.6 4,-0.5 -66,-0.3 37,-0.3 0.690 106.9 69.5 -64.7 -20.0 -32.0 -1.0 3.1 290 296 A K H 34 S+ 0 0 97 -68,-2.4 -1,-0.3 -69,-0.3 4,-0.2 0.820 116.7 23.1 -66.8 -24.0 -32.8 -4.8 3.2 291 297 A Y H <> S+ 0 0 11 -3,-1.5 4,-2.1 -69,-0.3 -2,-0.2 0.656 100.5 83.9-114.5 -21.6 -36.5 -3.8 3.8 292 298 A M H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -3,-0.1 0.896 94.8 44.0 -56.7 -51.1 -37.1 -0.2 2.5 293 299 A G H X S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.880 112.7 53.9 -60.6 -41.0 -37.7 -1.1 -1.2 294 300 A E H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 106.2 52.2 -62.1 -38.9 -40.0 -4.0 -0.1 295 301 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 110.6 48.7 -63.0 -43.5 -42.0 -1.5 2.1 296 302 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.947 108.5 53.7 -60.1 -46.3 -42.4 0.7 -1.0 297 303 A R H X S+ 0 0 14 -4,-2.9 4,-2.3 27,-0.3 -2,-0.2 0.913 109.4 48.0 -55.1 -43.8 -43.4 -2.4 -3.1 298 304 A L H X S+ 0 0 22 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.857 110.3 51.3 -67.8 -34.7 -46.2 -3.2 -0.6 299 305 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 109.7 50.5 -64.4 -48.0 -47.5 0.4 -0.5 300 306 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 108.8 52.1 -57.9 -40.0 -47.6 0.4 -4.4 301 307 A L H X S+ 0 0 43 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.869 108.7 50.2 -65.8 -35.1 -49.6 -2.9 -4.3 302 308 A R H X S+ 0 0 62 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.917 111.6 48.4 -65.2 -43.5 -52.1 -1.3 -1.8 303 309 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 6,-0.6 0.887 111.4 50.0 -65.6 -35.4 -52.5 1.7 -4.2 304 310 A V H ><5S+ 0 0 12 -4,-2.5 3,-1.8 4,-0.2 -2,-0.2 0.917 108.6 53.2 -63.7 -45.6 -53.0 -0.7 -7.2 305 311 A D H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.845 106.9 52.0 -60.0 -32.8 -55.6 -2.5 -5.1 306 312 A E T 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.331 116.1-115.4 -84.7 5.4 -57.5 0.8 -4.5 307 313 A N T < 5S+ 0 0 101 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.791 87.4 115.1 61.9 33.7 -57.5 1.5 -8.3 308 314 A L < + 0 0 9 -5,-2.5 2,-0.3 1,-0.2 -4,-0.2 0.510 68.9 43.2-106.7 -8.5 -55.2 4.6 -7.7 309 315 A L S > S- 0 0 1 -6,-0.6 3,-1.6 -5,-0.1 4,-0.3 -0.999 117.2 -3.8-145.9 139.1 -52.1 3.3 -9.6 310 316 A F G > S- 0 0 11 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.790 118.6 -66.1 51.6 39.4 -51.3 1.5 -12.9 311 317 A H G 3 S- 0 0 116 1,-0.3 -1,-0.3 -4,-0.1 3,-0.1 0.760 91.2 -66.6 55.3 28.4 -55.1 1.2 -13.8 312 318 A G G < S+ 0 0 29 -3,-1.6 2,-0.5 1,-0.2 -1,-0.3 0.755 110.8 120.2 64.8 28.1 -55.4 -1.2 -10.8 313 319 A E < - 0 0 147 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.2 -0.970 47.1-161.2-127.3 115.0 -53.2 -3.8 -12.6 314 320 A A - 0 0 21 -2,-0.5 36,-0.0 -3,-0.1 37,-0.0 -0.807 19.4-128.8 -95.5 136.1 -49.8 -4.9 -11.0 315 321 A S > - 0 0 19 -2,-0.4 4,-1.4 34,-0.2 5,-0.1 -0.243 27.6-104.5 -72.4 169.6 -47.2 -6.6 -13.3 316 322 A E T 4 S+ 0 0 133 2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.917 124.4 51.1 -58.9 -42.5 -45.6 -9.9 -12.5 317 323 A Q T >4 S+ 0 0 95 32,-0.3 3,-1.9 1,-0.2 6,-0.2 0.910 106.5 52.3 -64.4 -40.8 -42.4 -8.0 -11.5 318 324 A L T 34 S+ 0 0 1 31,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 110.6 49.6 -64.3 -27.1 -44.3 -5.6 -9.2 319 325 A R T 3< S+ 0 0 125 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.3 0.245 91.2 105.3 -94.4 14.8 -45.8 -8.7 -7.5 320 326 A T S X S- 0 0 69 -3,-1.9 3,-2.1 -5,-0.1 4,-0.3 -0.817 80.8-109.3 -99.2 130.5 -42.3 -10.3 -7.1 321 327 A R T 3 S+ 0 0 182 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.0 -0.287 101.3 4.4 -58.8 130.9 -40.7 -10.3 -3.6 322 328 A G T 3 S+ 0 0 46 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.457 91.8 123.2 73.0 4.7 -37.7 -7.8 -3.5 323 329 A A < + 0 0 19 -3,-2.1 2,-1.3 -6,-0.2 -2,-0.1 0.818 60.9 67.3 -69.9 -28.5 -38.3 -6.6 -7.0 324 330 A F S S- 0 0 2 -4,-0.3 -27,-0.3 -6,-0.1 -1,-0.2 -0.774 88.9-153.1 -89.6 94.0 -38.7 -2.9 -5.9 325 331 A E >> - 0 0 78 -2,-1.3 3,-1.2 1,-0.1 4,-0.9 -0.400 21.6-122.1 -69.4 150.6 -35.0 -2.5 -4.9 326 332 A T H >> S+ 0 0 26 -37,-0.3 4,-1.5 1,-0.3 3,-0.8 0.867 114.3 61.6 -58.0 -36.9 -34.0 -0.0 -2.2 327 333 A R H 3> S+ 0 0 135 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.810 98.1 58.1 -61.6 -25.5 -31.7 1.6 -4.8 328 334 A F H <> S+ 0 0 21 -3,-1.2 4,-2.7 2,-0.2 -1,-0.3 0.838 100.3 56.2 -70.5 -32.2 -34.9 2.4 -6.8 329 335 A V H < S+ 0 0 53 -4,-2.8 3,-0.6 1,-0.2 4,-0.3 0.889 109.9 51.1 -63.2 -36.4 -33.2 6.8 -7.8 332 338 A V H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.921 111.6 47.0 -65.9 -43.6 -37.0 7.8 -7.7 333 339 A E H 3< S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.580 105.2 61.6 -76.3 -8.3 -36.3 10.5 -5.1 334 340 A S T << S+ 0 0 49 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.457 75.4 125.6 -89.7 -9.4 -33.3 11.7 -7.2 335 341 A D < - 0 0 7 -3,-1.3 -3,-0.0 -4,-0.3 -4,-0.0 -0.343 58.3-144.7 -55.6 129.6 -35.7 12.5 -10.2 336 342 A T - 0 0 124 1,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.550 55.3 -84.2 -75.5 -10.5 -35.2 16.2 -11.3 337 343 A G S S+ 0 0 47 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.088 113.6 93.1 127.1 -20.2 -38.9 16.7 -12.1 338 344 A D S S- 0 0 85 1,-0.1 -3,-0.0 4,-0.0 0, 0.0 0.535 84.3-134.2 -80.4 -8.9 -39.0 15.3 -15.6 339 345 A R > + 0 0 81 -7,-0.1 4,-3.5 1,-0.1 5,-0.2 0.361 68.1 125.1 71.8 -1.6 -40.1 11.8 -14.3 340 346 A K H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 73.5 45.1 -55.9 -47.4 -37.5 10.1 -16.7 341 347 A Q H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 117.2 46.3 -65.5 -38.8 -35.7 8.1 -13.9 342 348 A I H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.936 112.0 50.1 -67.9 -47.2 -39.1 7.1 -12.4 343 349 A Y H X S+ 0 0 92 -4,-3.5 4,-3.1 1,-0.2 -2,-0.2 0.914 110.3 51.0 -55.5 -48.7 -40.6 6.1 -15.8 344 350 A N H X S+ 0 0 95 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 111.1 47.1 -56.3 -51.7 -37.5 4.0 -16.6 345 351 A I H X S+ 0 0 5 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.940 117.2 43.5 -56.9 -50.9 -37.6 2.1 -13.2 346 352 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 -2,-0.2 0.892 112.1 51.3 -66.6 -40.5 -41.3 1.4 -13.6 347 353 A S H ><5S+ 0 0 41 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 0.911 108.7 52.3 -62.8 -40.3 -41.2 0.5 -17.4 348 354 A T H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 102.5 60.5 -64.1 -29.9 -38.4 -2.1 -16.5 349 355 A L T 3<5S- 0 0 9 -4,-1.3 -31,-0.6 -5,-0.2 -1,-0.3 0.243 127.2-102.7 -80.4 13.5 -40.8 -3.5 -13.8 350 356 A G T < 5S+ 0 0 44 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.696 81.2 130.4 74.5 22.5 -43.3 -4.2 -16.7 351 357 A L < - 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