==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-DEC-07 3BLE . COMPND 2 MOLECULE: CITRAMALATE SYNTHASE FROM LEPTOSPIRA INTERROGANS; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR P.ZHANG,J.MA . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.6 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 2 0 1 1 1 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 7 A R 0 0 165 0, 0.0 254,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -55.6 7.9 12.4 21.5 2 8 A L - 0 0 1 252,-1.8 254,-0.4 1,-0.1 2,-0.3 -0.411 360.0-133.0 -68.4 139.0 10.5 12.7 18.6 3 9 A E E -a 223 0A 50 219,-2.2 221,-2.3 -2,-0.1 2,-0.5 -0.651 14.0-150.8 -90.1 150.2 13.9 14.0 19.6 4 10 A I E -a 224 0A 0 -2,-0.3 36,-1.6 219,-0.2 35,-0.7 -0.987 5.9-164.7-124.7 125.1 15.6 16.7 17.5 5 11 A L E -ab 225 40A 0 219,-2.5 221,-2.0 -2,-0.5 2,-0.4 -0.939 11.2-151.0-107.4 120.4 19.4 16.9 17.2 6 12 A D E +ab 226 41A 0 34,-2.6 36,-3.0 -2,-0.6 221,-0.2 -0.780 17.4 178.1 -92.1 135.5 20.6 20.2 15.9 7 13 A V >> + 0 0 0 219,-2.2 4,-2.5 -2,-0.4 5,-0.6 0.174 44.3 116.8-120.1 16.4 23.9 20.0 14.0 8 14 A T H >5S+ 0 0 0 218,-0.4 4,-1.7 1,-0.2 5,-0.2 0.879 77.4 45.9 -50.7 -47.3 24.1 23.7 13.0 9 15 A L H >5S+ 0 0 0 33,-0.3 4,-1.1 3,-0.2 -1,-0.2 0.883 117.5 41.1 -70.7 -37.1 27.3 24.4 15.0 10 16 A R H 45S+ 0 0 19 32,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.971 123.7 35.4 -75.3 -55.1 29.2 21.3 13.8 11 17 A D H >X5S+ 0 0 2 -4,-2.5 4,-1.1 31,-0.3 3,-1.0 0.855 114.2 58.1 -68.8 -34.0 28.2 21.3 10.2 12 18 A G H >< - 0 0 55 -2,-0.3 4,-2.6 251,-0.1 5,-0.2 -0.386 33.8-100.8 -80.8 168.8 34.0 32.5 17.3 22 28 A T H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 124.3 48.6 -57.5 -47.7 33.8 31.0 20.8 23 29 A S H > S+ 0 0 91 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.919 111.0 51.2 -59.8 -43.3 31.3 33.6 22.0 24 30 A E H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 111.1 46.5 -59.8 -48.0 29.1 33.0 18.9 25 31 A K H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.929 114.6 48.2 -60.8 -44.6 29.0 29.2 19.3 26 32 A L H X S+ 0 0 36 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.943 111.8 49.3 -60.0 -50.2 28.2 29.7 23.0 27 33 A N H X S+ 0 0 74 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.947 115.2 44.3 -54.7 -50.5 25.5 32.2 22.3 28 34 A I H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.928 112.1 50.6 -62.5 -47.5 24.0 29.9 19.6 29 35 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.922 110.2 51.2 -57.7 -44.9 24.2 26.8 21.7 30 36 A K H X>S+ 0 0 76 -4,-2.6 4,-2.8 -5,-0.2 5,-0.6 0.933 111.8 46.9 -57.8 -47.3 22.5 28.5 24.6 31 37 A F H X>S+ 0 0 16 -4,-2.1 5,-2.3 -5,-0.2 4,-1.8 0.935 111.1 50.9 -62.3 -46.6 19.6 29.7 22.4 32 38 A L H <>S+ 0 0 2 -4,-2.8 6,-2.8 3,-0.2 5,-0.6 0.916 119.5 35.0 -57.5 -47.2 19.1 26.3 20.8 33 39 A L H <5S+ 0 0 5 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.926 130.0 29.7 -76.5 -46.7 18.9 24.4 24.1 34 40 A Q H <5S+ 0 0 83 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.892 132.8 24.2 -85.2 -40.0 17.2 27.0 26.3 35 41 A K T < - c 0 75A 11 -2,-0.3 3,-1.3 29,-0.2 31,-0.2 -0.966 44.8-108.9-115.6 131.4 34.1 17.6 15.4 46 52 A A T 3 S+ 0 0 2 29,-3.3 37,-0.1 -2,-0.4 38,-0.1 -0.190 96.1 15.7 -58.7 148.6 36.8 16.1 17.6 47 53 A R T 3 S+ 0 0 106 36,-0.2 -1,-0.2 35,-0.1 3,-0.1 0.539 81.2 126.8 66.8 10.2 40.5 16.8 16.7 48 54 A V S < S- 0 0 72 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.931 79.6 -64.1 -63.3 -43.6 39.7 19.8 14.5 49 55 A S > - 0 0 66 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 -0.914 51.8 -77.8 169.3 165.7 42.0 22.1 16.5 50 56 A K T 4 S+ 0 0 181 -2,-0.3 2,-1.8 2,-0.2 0, 0.0 -0.333 115.5 44.3 -73.3 168.5 42.7 23.7 19.8 51 57 A G T > S+ 0 0 19 1,-0.2 4,-4.6 -2,-0.0 -1,-0.2 -0.386 111.9 57.8 87.2 -60.3 40.5 26.8 20.3 52 58 A E H > S+ 0 0 20 -2,-1.8 4,-2.7 2,-0.3 -2,-0.2 0.913 107.6 47.0 -64.8 -38.4 37.7 24.6 19.0 53 59 A L H X S+ 0 0 26 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.934 114.3 47.5 -63.4 -43.9 38.8 22.4 21.9 54 60 A E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -2,-0.3 0.908 109.4 52.9 -62.0 -44.1 38.7 25.6 24.0 55 61 A T H X S+ 0 0 8 -4,-4.6 4,-2.2 1,-0.2 -2,-0.2 0.923 110.1 47.3 -59.5 -46.0 35.3 26.6 22.6 56 62 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.910 110.4 53.1 -63.8 -40.1 33.8 23.2 23.6 57 63 A Q H X S+ 0 0 72 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.925 109.6 47.9 -60.7 -43.8 35.4 23.5 27.1 58 64 A K H X S+ 0 0 101 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.902 112.4 50.1 -64.1 -38.7 33.8 26.9 27.6 59 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.874 110.8 48.8 -67.7 -37.0 30.5 25.6 26.4 60 66 A M H X S+ 0 0 14 -4,-2.5 4,-2.6 30,-0.3 5,-0.2 0.882 105.1 58.0 -70.0 -38.5 30.7 22.6 28.8 61 67 A E H X S+ 0 0 133 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.931 112.4 42.3 -54.9 -44.5 31.6 24.9 31.7 62 68 A W H X S+ 0 0 28 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.924 110.0 57.0 -67.1 -45.8 28.3 26.7 31.0 63 69 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-0.9 0.874 105.0 51.1 -53.5 -43.4 26.4 23.4 30.4 64 70 A A H ><5S+ 0 0 56 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.955 104.4 58.5 -58.5 -49.8 27.4 22.1 33.9 65 71 A T H 3<5S+ 0 0 100 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.702 115.8 35.4 -51.8 -23.1 26.1 25.4 35.3 66 72 A E T <<5S- 0 0 76 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.312 110.3-113.3-118.2 8.5 22.7 24.7 33.8 67 73 A Q T < 5S+ 0 0 155 -3,-1.9 -3,-0.2 -4,-0.5 3,-0.1 0.818 86.0 116.0 62.7 32.9 22.5 20.9 34.1 68 74 A L > < + 0 0 28 -5,-2.8 3,-2.3 -6,-0.2 4,-0.3 0.277 27.3 118.2-112.7 7.9 22.7 20.5 30.3 69 75 A T G > S+ 0 0 46 -6,-0.6 3,-1.3 1,-0.3 24,-0.5 0.836 74.0 50.6 -44.7 -48.1 26.0 18.7 30.0 70 76 A E G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.540 96.6 70.9 -73.8 -4.3 24.6 15.5 28.4 71 77 A R G < S+ 0 0 93 -3,-2.3 -30,-2.7 -31,-0.1 2,-0.5 0.458 81.9 85.5 -89.3 -0.8 22.7 17.5 25.7 72 78 A I E < -c 41 0A 0 -3,-1.3 21,-0.4 -4,-0.3 22,-0.4 -0.887 61.4-169.6-104.3 127.9 25.9 18.4 23.9 73 79 A E E -c 42 0A 2 -32,-3.2 -30,-1.7 -2,-0.5 -29,-0.7 -0.907 10.5-153.9-121.8 146.7 27.4 16.0 21.4 74 80 A I E -cd 44 95A 0 20,-2.2 22,-3.0 -2,-0.4 2,-0.4 -0.964 18.6-129.3-119.4 129.4 30.7 15.9 19.6 75 81 A L E +cd 45 96A 9 -31,-2.6 -29,-3.3 -2,-0.4 2,-0.2 -0.635 39.5 173.3 -78.4 130.0 31.2 14.2 16.2 76 82 A G E - d 0 97A 0 20,-2.4 22,-2.9 -2,-0.4 2,-0.3 -0.785 21.6-123.6-132.4 176.9 34.2 11.8 16.3 77 83 A F E - d 0 98A 71 -2,-0.2 2,-1.7 20,-0.2 6,-0.3 -0.816 28.9-105.5-126.3 160.8 36.1 9.2 14.4 78 84 A V S S+ 0 0 37 20,-0.7 43,-0.1 -2,-0.3 3,-0.1 -0.666 71.2 129.5 -81.0 86.8 37.2 5.5 14.6 79 85 A D S > S- 0 0 34 -2,-1.7 3,-1.1 1,-0.2 2,-0.8 -0.010 70.1-112.1-134.4 28.8 40.8 6.5 15.2 80 86 A G T 3 S- 0 0 19 1,-0.2 4,-0.2 40,-0.2 -1,-0.2 -0.665 86.4 -13.8 82.5-108.0 41.8 4.5 18.2 81 87 A N T 3> S+ 0 0 73 -2,-0.8 4,-2.7 2,-0.1 5,-0.2 0.595 115.9 85.1-106.6 -16.8 42.4 6.8 21.2 82 88 A K H <> S+ 0 0 111 -3,-1.1 4,-2.5 2,-0.2 5,-0.2 0.932 91.6 41.1 -54.3 -60.8 42.5 10.2 19.5 83 89 A T H > S+ 0 0 0 -6,-0.3 4,-2.7 1,-0.2 5,-0.2 0.941 118.3 47.3 -55.9 -50.4 38.8 11.1 19.3 84 90 A V H > S+ 0 0 0 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 112.5 48.7 -59.8 -44.0 38.0 9.8 22.8 85 91 A D H X S+ 0 0 44 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.928 111.4 50.8 -61.2 -45.1 41.0 11.6 24.3 86 92 A W H X S+ 0 0 26 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.949 112.8 45.0 -57.3 -51.4 40.1 14.8 22.6 87 93 A I H X>S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 5,-0.7 0.893 109.2 56.8 -61.8 -39.7 36.5 14.6 23.8 88 94 A K H ><5S+ 0 0 81 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.936 110.6 44.0 -55.6 -48.2 37.7 13.7 27.3 89 95 A D H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 107.0 61.1 -67.4 -29.7 39.8 16.9 27.4 90 96 A S H 3<5S- 0 0 1 -4,-1.8 -30,-0.3 -5,-0.2 -1,-0.2 0.761 106.2-125.1 -69.7 -26.0 37.0 19.0 26.0 91 97 A G T <<5 + 0 0 24 -4,-1.3 -3,-0.1 -3,-0.6 -2,-0.1 0.292 64.6 137.0 96.4 -10.2 34.7 18.2 28.9 92 98 A A < - 0 0 1 -5,-0.7 -1,-0.4 1,-0.1 -2,-0.1 -0.364 41.4-160.1 -69.9 153.1 32.0 16.8 26.6 93 99 A K + 0 0 92 -24,-0.5 41,-1.9 -21,-0.4 2,-0.4 0.341 64.1 68.8-116.7 3.1 30.2 13.6 27.6 94 100 A V E - e 0 134A 6 -22,-0.4 -20,-2.2 39,-0.2 2,-0.5 -0.987 56.8-161.8-133.3 130.9 28.7 12.3 24.3 95 101 A L E -de 74 135A 0 39,-2.9 41,-3.2 -2,-0.4 2,-0.8 -0.915 7.3-161.6-111.4 130.3 30.4 11.0 21.2 96 102 A N E -de 75 136A 0 -22,-3.0 -20,-2.4 -2,-0.5 2,-0.4 -0.873 25.9-152.1-109.4 92.0 28.7 10.7 17.8 97 103 A L E -de 76 137A 0 39,-2.7 41,-3.1 -2,-0.8 2,-0.8 -0.547 5.8-141.9 -75.5 123.8 31.0 8.2 16.2 98 104 A L E +de 77 138A 34 -22,-2.9 -20,-0.7 -2,-0.4 2,-0.3 -0.733 29.1 175.3 -84.9 108.5 31.3 8.3 12.4 99 105 A T E - e 0 139A 0 39,-2.2 41,-2.2 -2,-0.8 2,-0.5 -0.877 41.4 -96.5-116.4 149.0 31.5 4.7 11.1 100 106 A K E - e 0 140A 17 -2,-0.3 41,-0.1 39,-0.2 39,-0.1 -0.473 39.0-177.4 -63.7 111.7 31.7 3.5 7.5 101 107 A G + 0 0 0 39,-2.6 2,-0.4 -2,-0.5 -1,-0.2 0.267 60.7 57.0 -97.1 9.1 28.1 2.6 6.7 102 108 A S S > S- 0 0 2 38,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.998 75.5-132.5-138.9 141.0 28.5 1.3 3.2 103 109 A L H > S+ 0 0 53 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.908 109.3 56.7 -56.5 -41.6 30.8 -1.6 2.0 104 110 A H H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 108.5 44.7 -58.0 -43.6 32.0 0.7 -0.8 105 111 A H H >>S+ 0 0 33 -3,-0.2 4,-2.3 2,-0.2 5,-0.6 0.929 112.8 51.5 -67.7 -45.1 33.1 3.4 1.6 106 112 A L H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-1.5 0.951 116.5 38.9 -55.2 -54.7 34.8 1.0 3.9 107 113 A E H <5S+ 0 0 110 -4,-2.7 4,-0.2 3,-0.2 -2,-0.2 0.915 118.3 46.3 -65.6 -46.1 36.8 -0.7 1.2 108 114 A K H <5S+ 0 0 152 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.809 125.7 28.3 -70.1 -30.7 37.7 2.4 -0.8 109 115 A Q H <5S+ 0 0 117 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.848 137.2 20.1 -97.8 -42.3 38.8 4.5 2.2 110 116 A L T < - 0 0 72 -2,-0.3 4,-3.2 -3,-0.1 5,-0.3 -0.499 32.2-113.1 -81.8 150.6 37.6 -6.1 6.2 114 120 A P H > S+ 0 0 41 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.927 120.3 47.5 -49.3 -47.0 34.2 -5.7 7.9 115 121 A K H > S+ 0 0 164 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.895 112.4 48.8 -62.3 -40.7 35.5 -7.8 10.8 116 122 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 115.4 43.7 -65.2 -46.2 38.7 -5.8 11.0 117 123 A F H X S+ 0 0 5 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.911 109.2 56.1 -66.6 -42.2 36.9 -2.5 10.9 118 124 A F H X S+ 0 0 19 -4,-3.1 4,-2.2 -5,-0.3 -1,-0.2 0.814 106.8 53.3 -59.2 -27.8 34.2 -3.7 13.4 119 125 A T H X S+ 0 0 89 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.891 106.6 49.3 -73.7 -40.7 37.1 -4.4 15.7 120 126 A D H X S+ 0 0 51 -4,-1.6 4,-1.8 1,-0.2 -40,-0.2 0.914 112.5 51.1 -62.0 -40.2 38.5 -0.9 15.4 121 127 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 107.0 51.0 -62.3 -47.1 35.0 0.3 16.1 122 128 A S H X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.843 107.4 55.6 -60.9 -34.0 34.6 -1.9 19.2 123 129 A F H X S+ 0 0 111 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.941 109.7 44.7 -63.2 -49.3 37.9 -0.5 20.5 124 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.943 114.7 48.0 -61.5 -48.8 36.7 3.1 20.3 125 131 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 114.9 44.8 -60.2 -44.9 33.3 2.4 21.8 126 132 A E H X S+ 0 0 117 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.932 114.9 47.8 -65.2 -45.3 34.8 0.4 24.7 127 133 A Y H X S+ 0 0 48 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.875 110.5 53.9 -62.8 -37.4 37.5 3.0 25.3 128 134 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 -1,-0.2 0.931 110.4 45.0 -62.1 -47.5 34.8 5.7 25.2 129 135 A I H ><5S+ 0 0 64 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.873 111.4 53.8 -64.3 -37.0 32.8 4.0 27.8 130 136 A K H 3<5S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.887 106.5 53.6 -62.6 -38.8 35.9 3.5 29.9 131 137 A S T 3<5S- 0 0 30 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.328 125.6-102.2 -80.1 6.7 36.5 7.2 29.6 132 138 A G T < 5S+ 0 0 49 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.765 77.6 132.6 79.8 27.4 33.1 8.0 30.9 133 139 A L < - 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