==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-FEB-09 3GB2 . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.MOL . 341 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 2 0 1 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 3 1 0 2 3 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 . 1 0 1 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 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 35 A S 0 0 126 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.4 35.0 26.4 20.6 2 36 A K - 0 0 169 1,-0.1 2,-0.6 21,-0.1 23,-0.3 -0.333 360.0-127.3 -57.3 122.0 38.7 26.2 21.1 3 37 A V - 0 0 79 -2,-0.1 2,-0.4 20,-0.1 20,-0.2 -0.614 21.0-156.3 -77.4 116.4 40.4 28.1 18.3 4 38 A T E -A 22 0A 41 18,-3.0 18,-3.0 -2,-0.6 2,-0.5 -0.810 4.9-160.0 -94.2 136.8 43.0 26.0 16.5 5 39 A T E +A 21 0A 80 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.969 14.5 175.8-121.5 117.3 45.8 27.9 14.7 6 40 A V E -A 20 0A 27 14,-2.9 14,-3.0 -2,-0.5 2,-0.7 -0.787 35.6-117.9-120.5 162.8 47.8 26.2 11.9 7 41 A V E -A 19 0A 101 -2,-0.3 2,-0.4 12,-0.2 76,-0.4 -0.883 47.0-178.3 -99.1 110.8 50.5 27.1 9.4 8 42 A A E -A 18 0A 0 10,-3.7 10,-2.8 -2,-0.7 74,-0.2 -0.890 27.6-135.7-125.9 140.8 48.9 26.5 6.0 9 43 A T E -B 81 0A 21 72,-2.5 72,-1.0 -2,-0.4 6,-0.1 -0.713 35.2-110.4 -91.0 132.6 49.9 26.8 2.4 10 44 A P E -B 80 0A 23 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.318 24.1-124.3 -60.8 145.7 47.4 28.4 0.1 11 45 A G S S+ 0 0 1 68,-4.0 68,-0.2 67,-0.1 69,-0.1 0.884 93.0 16.5 -57.7 -44.8 45.9 25.9 -2.4 12 46 A Q S S+ 0 0 39 67,-0.4 57,-0.1 66,-0.1 56,-0.0 -0.353 104.9 46.2-111.7-166.0 46.9 27.9 -5.4 13 47 A G S S- 0 0 60 -2,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.160 102.5 -13.0 67.0-160.8 49.5 30.7 -5.8 14 48 A P S S- 0 0 97 0, 0.0 2,-2.4 0, 0.0 -2,-0.1 -0.469 72.4-106.2 -76.8 146.9 53.1 30.7 -4.4 15 49 A D S S+ 0 0 100 -2,-0.1 -2,-0.1 -6,-0.1 -6,-0.1 -0.427 71.9 134.2 -69.7 73.1 54.1 28.1 -1.8 16 50 A R - 0 0 187 -2,-2.4 -8,-0.1 -6,-0.1 -1,-0.1 -0.825 47.6-141.2-133.9 96.3 54.1 30.6 1.1 17 51 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.097 16.3-164.8 -61.1 145.7 52.4 29.4 4.3 18 52 A Q E -A 8 0A 94 -10,-2.8 -10,-3.7 -12,-0.0 2,-0.5 -0.916 30.5-100.1-124.7 157.3 50.2 31.6 6.4 19 53 A E E -A 7 0A 156 -2,-0.3 2,-0.4 -12,-0.3 -12,-0.2 -0.655 43.6-172.1 -68.2 120.7 48.8 31.4 9.9 20 54 A V E -A 6 0A 13 -14,-3.0 -14,-2.9 -2,-0.5 2,-0.4 -0.985 6.6-157.2-121.6 132.5 45.2 30.3 9.6 21 55 A S E +A 5 0A 28 -2,-0.4 21,-2.4 -16,-0.2 22,-0.5 -0.904 17.5 164.6-111.7 132.9 42.8 30.2 12.5 22 56 A Y E +AC 4 41A 23 -18,-3.0 -18,-3.0 -2,-0.4 19,-0.2 -0.988 7.0 174.5-145.9 158.0 39.6 28.1 12.8 23 57 A T E + C 0 40A 10 17,-2.2 17,-2.4 -2,-0.3 -20,-0.1 -0.702 52.2 63.4-143.1-176.1 37.2 26.9 15.4 24 58 A D E - 0 0 72 -2,-0.2 2,-0.4 15,-0.2 14,-0.1 0.814 64.8-179.1 58.0 36.5 33.9 25.0 15.8 25 59 A T E + 0 0 58 -23,-0.3 2,-0.3 -3,-0.1 14,-0.2 -0.512 7.5 163.6 -71.9 123.5 35.3 21.8 14.3 26 60 A K E - C 0 38A 117 12,-1.6 12,-2.2 -2,-0.4 2,-0.4 -0.961 40.7-105.6-136.4 156.8 32.9 18.9 14.1 27 61 A V E + C 0 37A 84 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.662 35.6 168.9 -83.7 134.4 33.0 15.7 12.1 28 62 A I E - 0 0 80 8,-3.6 2,-0.3 -2,-0.4 9,-0.2 0.512 63.0 -9.5-120.8 -8.9 30.8 15.6 9.1 29 63 A G E - C 0 36A 25 7,-1.6 7,-2.8 2,-0.0 -1,-0.4 -0.987 52.9-163.3-171.7 168.3 32.1 12.4 7.5 30 64 A N E + C 0 35A 128 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.991 14.3 146.5-159.8 160.1 34.7 9.6 7.3 31 65 A G - 0 0 39 3,-2.9 3,-0.2 -2,-0.3 -2,-0.0 -0.849 65.4 -49.6-164.0-160.4 36.2 6.8 5.2 32 66 A S S S+ 0 0 132 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.895 130.1 51.2 -57.7 -44.3 39.3 4.9 4.4 33 67 A F S S- 0 0 56 1,-0.1 2,-0.3 20,-0.1 -1,-0.2 0.871 119.7-101.9 -57.0 -43.7 41.4 8.1 3.9 34 68 A G - 0 0 19 -3,-0.2 -3,-2.9 19,-0.1 2,-0.3 -0.934 55.8 -28.2 153.8-128.2 40.3 9.6 7.2 35 69 A V E -CD 30 52A 33 17,-1.4 17,-3.6 -2,-0.3 2,-0.5 -0.892 33.1-142.8-135.1 148.1 37.8 12.2 8.2 36 70 A V E -CD 29 51A 30 -7,-2.8 -8,-3.6 -2,-0.3 -7,-1.6 -0.961 23.7-171.6-114.0 131.8 36.0 15.4 7.0 37 71 A Y E -CD 27 50A 50 13,-2.3 13,-1.8 -2,-0.5 2,-0.5 -0.734 20.5-135.9-111.6 164.1 35.2 18.2 9.4 38 72 A Q E +CD 26 49A 27 -12,-2.2 -12,-1.6 -2,-0.3 2,-0.3 -0.983 34.2 168.2-111.9 131.3 33.3 21.4 9.2 39 73 A A E - D 0 48A 0 9,-3.5 9,-3.2 -2,-0.5 2,-0.5 -0.933 32.9-127.7-137.9 165.0 35.0 24.5 10.7 40 74 A K E -CD 23 47A 78 -17,-2.4 -17,-2.2 -2,-0.3 2,-0.4 -0.971 24.0-131.9-113.4 120.8 34.6 28.2 10.8 41 75 A L E > -C 22 0A 13 5,-2.8 4,-1.4 -2,-0.5 3,-0.3 -0.614 18.0-139.2 -67.1 125.2 37.6 30.3 9.7 42 76 A C T 4 S+ 0 0 48 -21,-2.4 -1,-0.1 -2,-0.4 -20,-0.1 0.748 92.5 45.0 -59.2 -28.2 38.0 32.9 12.5 43 77 A D T 4 S+ 0 0 155 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.742 123.0 27.6-101.0 -22.7 38.8 35.8 10.3 44 78 A S T 4 S- 0 0 73 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.441 92.9-132.9-109.4 -3.2 36.3 35.6 7.4 45 79 A G < + 0 0 43 -4,-1.4 -3,-0.1 1,-0.2 -2,-0.0 0.373 59.1 147.0 67.5 -5.5 33.7 33.9 9.5 46 80 A E - 0 0 92 -6,-0.1 -5,-2.8 1,-0.1 2,-0.3 -0.256 48.4-123.4 -69.9 145.0 33.4 31.6 6.5 47 81 A L E +D 40 0A 75 -7,-0.2 49,-0.8 -3,-0.1 2,-0.3 -0.659 33.4 176.4 -87.4 143.5 32.6 27.9 6.8 48 82 A V E -DE 39 95A 0 -9,-3.2 -9,-3.5 -2,-0.3 2,-0.3 -0.964 27.3-128.2-140.8 159.5 35.0 25.3 5.5 49 83 A A E -DE 38 94A 9 45,-1.8 45,-2.9 -2,-0.3 2,-0.5 -0.801 18.1-156.2-100.5 148.6 35.4 21.6 5.3 50 84 A I E -DE 37 93A 3 -13,-1.8 -13,-2.3 -2,-0.3 2,-0.8 -0.931 2.3-157.3-128.1 108.4 38.7 20.0 6.4 51 85 A K E -DE 36 92A 8 41,-2.3 41,-2.3 -2,-0.5 2,-1.1 -0.757 7.4-158.0 -83.8 109.5 39.5 16.7 4.9 52 86 A K E +DE 35 91A 45 -17,-3.6 -17,-1.4 -2,-0.8 39,-0.2 -0.697 20.6 171.7 -93.0 87.4 42.0 15.0 7.2 53 87 A V - 0 0 11 37,-1.9 2,-0.4 -2,-1.1 -19,-0.1 -0.019 35.2-113.7 -74.5-172.4 43.7 12.3 5.1 54 88 A L - 0 0 104 35,-0.2 2,-0.4 -20,-0.1 35,-0.3 -0.959 29.2-138.8-131.6 112.5 46.8 10.3 6.3 55 89 A Q - 0 0 22 33,-1.9 2,-0.7 -2,-0.4 33,-0.2 -0.592 13.5-131.1 -88.8 130.0 49.9 11.1 4.4 56 90 A D - 0 0 109 -2,-0.4 2,-3.7 1,-0.2 -1,-0.1 0.299 34.7-146.5 -58.8 16.7 52.3 8.2 3.4 57 91 A K S S+ 0 0 138 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 -0.151 92.8 44.3 49.6 -64.8 54.9 10.6 4.9 58 92 A R S S+ 0 0 216 -2,-3.7 2,-0.3 -3,-0.1 -1,-0.3 0.135 109.0 74.8 -92.1 19.9 57.5 9.4 2.3 59 93 A F S S- 0 0 120 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.959 81.9-113.5-133.7 150.6 55.1 9.6 -0.6 60 94 A K - 0 0 200 -2,-0.3 2,-0.4 -4,-0.1 -2,-0.1 -0.726 34.1-122.9 -84.1 124.7 53.5 12.4 -2.7 61 95 A N > - 0 0 25 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 -0.523 16.1-158.9 -71.0 121.0 49.7 12.7 -2.2 62 96 A R H > S+ 0 0 131 -2,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.858 90.1 51.2 -68.0 -36.7 47.9 12.4 -5.5 63 97 A E H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.970 111.6 47.0 -69.8 -50.9 44.8 14.1 -4.4 64 98 A L H > S+ 0 0 13 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.930 111.2 51.6 -53.2 -49.5 46.7 17.1 -3.1 65 99 A Q H X S+ 0 0 105 -4,-2.2 4,-0.5 1,-0.2 -1,-0.3 0.860 114.4 45.1 -58.9 -31.6 48.7 17.3 -6.2 66 100 A I H >< S+ 0 0 0 -4,-1.8 3,-0.8 -3,-0.3 4,-0.3 0.889 107.0 56.1 -80.2 -38.7 45.5 17.2 -8.2 67 101 A M H >< S+ 0 0 6 -4,-3.1 3,-1.0 1,-0.3 11,-0.4 0.768 100.7 60.3 -64.4 -26.4 43.5 19.8 -6.2 68 102 A R H 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.808 99.2 55.2 -75.0 -27.6 46.2 22.4 -6.6 69 103 A K T << S+ 0 0 96 -3,-0.8 2,-0.5 -4,-0.5 -1,-0.3 0.571 97.5 95.1 -74.1 -7.2 45.8 22.3 -10.4 70 104 A L < + 0 0 6 -3,-1.0 8,-0.4 -4,-0.3 2,-0.3 -0.769 32.0 149.7-111.2 122.2 42.1 23.1 -9.9 71 105 A D + 0 0 97 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.799 27.2 130.0-144.1 103.7 40.1 26.3 -9.9 72 106 A H > - 0 0 15 3,-0.4 3,-1.3 -2,-0.3 -2,-0.0 -0.980 57.1-126.7-153.1 149.2 36.5 26.0 -11.1 73 107 A C T 3 S+ 0 0 46 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.709 109.0 54.0 -81.4 -18.3 33.2 27.2 -9.6 74 108 A N T 3 S+ 0 0 5 85,-0.1 86,-3.4 2,-0.1 2,-0.4 0.100 100.5 75.1 -98.1 19.2 31.6 23.8 -9.8 75 109 A I B < S-g 160 0B 3 -3,-1.3 -3,-0.4 84,-0.3 86,-0.2 -0.997 92.2-109.9-131.5 131.2 34.4 22.2 -7.9 76 110 A V - 0 0 4 84,-2.5 2,-0.3 -2,-0.4 -2,-0.1 -0.386 45.4-130.8 -55.2 121.8 35.1 22.4 -4.2 77 111 A R - 0 0 74 -2,-0.1 2,-1.1 -4,-0.1 18,-1.1 -0.589 2.9-126.6 -88.0 139.7 38.2 24.6 -4.2 78 112 A L E + F 0 94A 1 -11,-0.4 16,-0.2 -8,-0.4 -67,-0.1 -0.746 33.7 174.2 -80.6 103.4 41.3 23.7 -2.2 79 113 A R E - 0 0 29 14,-2.3 -68,-4.0 -2,-1.1 -67,-0.4 0.972 62.0 -15.1 -75.4 -58.7 41.7 26.9 -0.2 80 114 A Y E -BF 10 93A 56 13,-1.3 13,-1.3 -70,-0.3 2,-0.3 -0.725 58.0-156.6-128.6-179.0 44.5 25.9 2.0 81 115 A F E +BF 9 92A 9 -72,-1.0 -72,-2.5 -2,-0.2 2,-0.3 -0.923 15.5 166.7-157.5 145.7 46.3 22.8 3.0 82 116 A F E - F 0 91A 5 9,-2.1 9,-3.8 -2,-0.3 2,-0.3 -0.913 25.9-119.3-147.6 178.5 48.4 21.8 6.0 83 117 A Y E + F 0 90A 120 -76,-0.4 2,-0.3 -2,-0.3 -76,-0.2 -0.820 35.1 147.5-121.8 161.2 50.0 19.0 7.9 84 118 A S E F 0 89A 42 5,-1.3 5,-3.1 -2,-0.3 -78,-0.0 -0.978 360.0 360.0-171.1 171.7 49.5 17.7 11.5 85 119 A S 0 0 101 -2,-0.3 3,-0.1 3,-0.2 -2,-0.0 -0.904 360.0 360.0 175.2 360.0 49.4 14.9 14.0 86 ! 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 87 125 A E 0 0 196 0, 0.0 2,-0.4 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0 -59.6 52.1 10.1 12.7 88 126 A V - 0 0 25 -33,-0.2 -33,-1.9 -3,-0.1 2,-0.5 -0.934 360.0-171.8-144.1 118.7 51.3 12.5 9.8 89 127 A Y E - F 0 84A 71 -5,-3.1 -5,-1.3 -2,-0.4 2,-0.5 -0.904 16.6-143.8-110.7 128.4 48.0 13.8 8.3 90 128 A L E - F 0 83A 0 -2,-0.5 -37,-1.9 -7,-0.2 2,-0.5 -0.768 20.9-155.1 -81.1 129.0 47.6 15.9 5.2 91 129 A N E -EF 52 82A 5 -9,-3.8 -9,-2.1 -2,-0.5 2,-0.7 -0.940 6.2-160.8-114.8 118.8 44.7 18.4 5.7 92 130 A L E -EF 51 81A 1 -41,-2.3 -41,-2.3 -2,-0.5 2,-0.7 -0.859 6.7-154.7 -98.2 110.2 42.7 19.8 2.8 93 131 A V E +EF 50 80A 5 -13,-1.3 -14,-2.3 -2,-0.7 -13,-1.3 -0.759 30.3 171.9 -87.1 114.0 40.8 23.0 3.6 94 132 A L E -EF 49 78A 18 -45,-2.9 -45,-1.8 -2,-0.7 -16,-0.2 -0.685 40.2 -80.0-121.1 165.2 38.0 23.1 1.1 95 133 A D E -E 48 0A 24 -18,-1.1 2,-0.4 -2,-0.2 -47,-0.2 -0.483 45.6-142.0 -57.7 136.6 34.9 24.9 0.3 96 134 A Y + 0 0 63 -49,-0.8 -49,-0.1 -2,-0.1 -58,-0.0 -0.881 22.9 176.0-101.5 140.3 32.0 23.7 2.5 97 135 A V - 0 0 16 -2,-0.4 55,-0.1 62,-0.1 54,-0.0 -0.974 24.9-140.1-144.4 138.2 28.6 23.4 0.9 98 136 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.642 69.4 49.7 -92.7 -11.3 25.9 22.0 3.1 99 137 A E E -H 151 0B 48 52,-1.8 52,-2.6 4,-0.0 2,-0.3 -0.766 57.8-152.0-125.5 163.2 23.8 19.6 0.9 100 138 A T E > -H 150 0B 21 50,-0.3 4,-1.9 -2,-0.3 50,-0.2 -0.932 28.4-122.2-132.2 153.0 24.3 16.8 -1.5 101 139 A V H > S+ 0 0 2 48,-1.7 4,-3.1 45,-0.6 5,-0.2 0.756 112.4 61.8 -58.5 -32.9 22.3 15.6 -4.4 102 140 A Y H > S+ 0 0 88 44,-1.6 4,-1.4 47,-0.4 -1,-0.2 0.956 108.3 40.4 -58.6 -48.2 22.1 12.3 -2.7 103 141 A R H > S+ 0 0 115 43,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.836 117.3 47.5 -76.4 -32.0 20.3 13.7 0.3 104 142 A V H >X S+ 0 0 29 -4,-1.9 4,-1.8 2,-0.2 3,-0.7 0.965 110.9 51.9 -68.4 -48.4 18.1 15.9 -1.8 105 143 A A H 3X S+ 0 0 14 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.788 111.2 49.3 -57.2 -30.8 17.2 13.1 -4.2 106 144 A R H 3X S+ 0 0 82 -4,-1.4 4,-2.6 2,-0.2 -1,-0.3 0.702 102.6 58.3 -85.0 -27.7 16.2 10.9 -1.3 107 145 A H H S+ 0 0 55 -4,-1.8 5,-2.4 1,-0.2 -2,-0.2 0.918 116.5 46.8 -57.2 -44.6 11.9 13.6 -2.8 109 147 A S H ><5S+ 0 0 54 -4,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.876 109.2 52.3 -72.9 -37.4 12.0 9.9 -3.1 110 148 A R H 3<5S+ 0 0 181 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.788 114.7 44.2 -62.0 -29.9 11.1 9.3 0.5 111 149 A A T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.182 115.5-120.9-101.3 15.1 8.2 11.6 0.0 112 150 A K T < 5S+ 0 0 187 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.898 72.2 119.3 39.6 58.1 7.4 9.9 -3.3 113 151 A Q < - 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0 0 24 -3,-0.8 8,-0.6 -6,-0.3 2,-0.3 0.166 32.9-177.0 -30.0 135.4 15.2 31.5 -16.5 309 349 A K B -K 315 0D 108 6,-0.2 6,-0.3 2,-0.0 -1,-0.1 -0.911 29.9 -95.2-134.5 164.8 15.1 31.9 -12.7 310 350 A L > - 0 0 8 4,-4.3 3,-3.8 -2,-0.3 4,-0.2 -0.539 43.2-106.6 -75.7 144.3 15.4 29.7 -9.6 311 351 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.801 123.0 58.3 -38.8 -35.2 12.1 28.4 -8.1 312 352 A N T 3 S- 0 0 78 -158,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.209 124.4-103.2 -87.8 18.0 12.8 30.9 -5.3 313 353 A G S < S+ 0 0 49 -3,-3.8 2,-0.2 1,-0.3 -1,-0.1 0.438 82.5 123.8 83.3 -0.7 12.8 33.8 -7.7 314 354 A R - 0 0 122 -4,-0.2 -4,-4.3 -160,-0.1 -1,-0.3 -0.498 67.6 -99.8 -83.8 160.8 16.6 34.3 -7.8 315 355 A D B -K 309 0D 108 -6,-0.3 -6,-0.2 -2,-0.2 -1,-0.1 -0.431 48.4 -89.1 -76.2 157.1 18.6 34.2 -11.0 316 356 A T - 0 0 29 -8,-0.6 3,-0.1 -2,-0.1 -1,-0.1 -0.302 50.0 -95.2 -63.7 148.7 20.5 31.0 -11.9 317 357 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.133 66.0 -68.5 -54.3 166.9 24.0 30.6 -10.6 318 358 A A + 0 0 72 1,-0.2 -245,-0.1 -3,-0.1 -3,-0.0 -0.493 65.5 163.9 -73.5 110.8 26.6 31.7 -13.1 319 359 A L + 0 0 3 -2,-0.7 -1,-0.2 -3,-0.1 -16,-0.0 0.458 64.9 46.8-107.6 -5.7 26.4 29.1 -15.8 320 360 A F + 0 0 21 1,-0.1 2,-3.3 2,-0.1 -1,-0.1 0.367 66.6 115.7-121.5 0.6 28.2 30.7 -18.8 321 361 A N + 0 0 79 17,-0.0 -1,-0.1 2,-0.0 17,-0.0 -0.222 50.6 170.9 -67.6 54.8 31.4 32.1 -17.3 322 362 A F - 0 0 30 -2,-3.3 2,-0.3 15,-0.1 -2,-0.1 -0.220 24.0-148.4 -69.6 156.1 33.5 29.7 -19.5 323 363 A T > - 0 0 61 1,-0.1 4,-2.2 0, 0.0 3,-0.2 -0.866 25.5-121.0-116.1 157.3 37.3 29.7 -19.8 324 364 A T H > S+ 0 0 114 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.831 120.0 57.8 -64.1 -30.7 39.2 28.7 -22.9 325 365 A Q H 4 S+ 0 0 84 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.851 109.7 44.1 -60.9 -35.5 40.8 26.2 -20.6 326 366 A E H 4 S+ 0 0 1 -3,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.819 119.3 41.9 -77.9 -33.3 37.3 24.9 -20.0 327 367 A L H >< S+ 0 0 23 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.621 84.1 107.2 -87.1 -16.4 36.5 25.1 -23.7 328 368 A S T 3< S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.776 70.3 59.4 -31.2 -58.0 39.8 23.6 -24.7 329 369 A S T 3 S+ 0 0 77 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.833 128.5 5.4 -45.5 -48.6 38.5 20.2 -25.7 330 370 A N < + 0 0 45 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 -0.534 69.7 172.0-143.6 70.9 36.1 21.5 -28.4 331 371 A P > + 0 0 80 0, 0.0 2,-1.9 0, 0.0 3,-0.7 0.748 65.6 75.5 -59.2 -31.8 36.5 25.2 -28.9 332 372 A P T 3 S+ 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.538 82.8 66.6 -86.8 77.9 34.2 25.5 -31.9 333 373 A L T > + 0 0 29 -2,-1.9 3,-0.6 -37,-0.0 5,-0.1 0.193 58.2 110.6-176.0 18.9 30.9 25.3 -30.1 334 374 A A G X> + 0 0 30 -3,-0.7 4,-5.3 1,-0.2 3,-3.5 0.912 68.8 65.9 -74.9 -44.1 30.6 28.4 -27.9 335 375 A T G 34 S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.539 109.3 43.2 -57.5 -4.8 27.8 30.1 -29.9 336 376 A I G <4 S+ 0 0 96 -3,-0.6 -1,-0.3 3,-0.1 -2,-0.2 0.252 122.8 36.0-125.1 6.9 25.7 27.1 -28.7 337 377 A L T <4 S+ 0 0 1 -3,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.506 115.0 55.3-125.4 -31.7 27.0 27.1 -25.1 338 378 A I S < S- 0 0 30 -4,-5.3 -1,-0.3 -5,-0.1 -34,-0.1 -0.920 78.0-154.7-101.7 107.5 27.4 30.9 -24.6 339 379 A P > - 0 0 13 0, 0.0 3,-2.4 0, 0.0 -3,-0.1 -0.576 30.0-107.0 -76.4 149.7 24.1 32.6 -25.3 340 380 A P G > S+ 0 0 101 0, 0.0 3,-1.3 0, 0.0 -5,-0.0 0.779 112.6 70.3 -42.2 -45.2 24.3 36.3 -26.4 341 381 A H G 3 S+ 0 0 95 1,-0.3 -3,-0.0 2,-0.0 0, 0.0 0.497 98.7 52.2 -61.8 -3.2 23.0 37.7 -23.1 342 382 A A G < 0 0 38 -3,-2.4 -1,-0.3 -22,-0.0 0, 0.0 -0.272 360.0 360.0-127.4 48.3 26.3 36.6 -21.5 343 383 A R < 0 0 175 -3,-1.3 -2,-0.0 -5,-0.0 -23,-0.0 -0.165 360.0 360.0-129.7 360.0 29.0 38.2 -23.7