==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-12 4EU6 . COMPND 2 MOLECULE: SUCCINYL-COA:ACETATE COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.A.MULLINS,T.J.KAPPOCK . 1017 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 3 3 2 8 2 5 0 3 1 0 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 12 4 2 4 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 . 10 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 3 0 0 0 1 2 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 T 0 0 196 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-169.4 12.0 20.0 12.5 2 3 A E - 0 0 68 1,-0.2 3,-0.1 2,-0.1 135,-0.0 -0.458 360.0-165.7 -71.3 133.7 13.6 16.8 11.1 3 4 A R S S+ 0 0 41 -2,-0.2 135,-2.9 1,-0.2 2,-1.0 0.685 85.1 68.7 -84.0 -23.1 11.8 15.0 8.3 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.785 60.6 169.3 -98.7 96.7 14.0 12.0 9.0 5 6 A R + 0 0 72 133,-2.9 2,-0.6 -2,-1.0 134,-0.2 0.555 54.3 85.1 -88.9 -9.7 12.8 10.9 12.4 6 7 A N > - 0 0 32 132,-0.3 4,-0.7 1,-0.2 3,-0.3 -0.853 65.9-158.3 -93.2 119.9 14.8 7.6 12.3 7 8 A V T >4 S+ 0 0 102 -2,-0.6 3,-1.2 1,-0.2 4,-0.5 0.919 84.8 57.5 -65.3 -47.1 18.3 8.2 13.6 8 9 A A G >4 S+ 0 0 74 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.827 104.0 53.0 -54.7 -37.3 20.0 5.2 12.0 9 10 A L G >4 S+ 0 0 3 -3,-0.3 3,-2.3 1,-0.2 -1,-0.3 0.710 87.5 80.6 -76.2 -19.3 19.0 6.2 8.5 10 11 A R G X< S+ 0 0 99 -3,-1.2 3,-1.5 -4,-0.7 -1,-0.2 0.795 81.7 66.0 -58.7 -28.1 20.4 9.7 8.7 11 12 A S G < S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 0.622 92.4 62.9 -69.5 -11.6 23.9 8.4 8.0 12 13 A K G < S+ 0 0 61 -3,-2.3 207,-2.0 -4,-0.1 -1,-0.3 0.509 74.8 118.2 -92.3 -3.1 22.7 7.5 4.5 13 14 A V B < +d 219 0B 47 -3,-1.5 207,-0.2 -4,-0.2 -3,-0.0 -0.430 37.6 150.1 -64.3 131.7 22.0 11.1 3.5 14 15 A C - 0 0 36 205,-3.0 207,-0.3 -2,-0.1 -2,-0.0 -0.949 47.3 -69.9-156.0 171.3 24.1 12.2 0.6 15 16 A P > - 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.348 41.9-117.5 -71.1 152.9 24.1 14.6 -2.4 16 17 A A H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.869 113.6 55.9 -53.2 -42.9 21.9 13.9 -5.4 17 18 A E H > S+ 0 0 114 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.899 109.6 45.2 -59.5 -43.8 24.9 13.5 -7.7 18 19 A T H >4 S+ 0 0 66 -3,-0.4 3,-0.6 2,-0.2 4,-0.4 0.889 111.4 51.4 -69.1 -42.0 26.4 10.8 -5.6 19 20 A A H >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.2 4,-0.3 0.931 104.4 59.3 -60.3 -40.1 23.1 9.0 -5.2 20 21 A S H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.790 91.2 69.6 -60.8 -26.2 22.8 9.1 -8.9 21 22 A E T << S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.703 84.9 69.2 -67.9 -19.1 26.0 7.1 -9.3 22 23 A L T < S+ 0 0 45 -3,-2.0 2,-0.6 -4,-0.4 -1,-0.3 0.688 83.8 85.1 -67.3 -19.8 24.3 4.0 -7.8 23 24 A I < - 0 0 0 -3,-1.8 2,-0.2 -4,-0.3 3,-0.1 -0.785 69.2-164.8 -93.7 120.3 22.3 3.8 -11.1 24 25 A K > - 0 0 118 -2,-0.6 3,-2.4 1,-0.1 37,-0.1 -0.653 30.5 -81.5-109.2 155.8 24.1 2.0 -13.8 25 26 A H T 3 S+ 0 0 96 1,-0.3 38,-0.2 -2,-0.2 -1,-0.1 -0.268 118.1 19.6 -49.4 131.7 23.8 1.6 -17.5 26 27 A G T 3 S+ 0 0 30 36,-3.5 -1,-0.3 1,-0.3 37,-0.2 0.318 90.7 146.7 88.1 -7.1 21.2 -1.1 -18.3 27 28 A D < - 0 0 22 -3,-2.4 37,-2.6 35,-0.3 2,-0.6 -0.281 48.6-132.3 -65.2 142.6 19.5 -0.8 -14.8 28 29 A V E -e 64 0B 12 99,-0.4 102,-1.9 35,-0.2 101,-1.8 -0.886 30.4-167.7 -88.9 123.0 15.8 -1.4 -14.4 29 30 A V E -ef 65 130B 2 35,-3.4 37,-2.9 -2,-0.6 2,-0.5 -0.963 12.5-163.8-121.4 121.2 14.6 1.6 -12.2 30 31 A G E -ef 66 131B 0 100,-2.8 102,-2.7 -2,-0.5 2,-0.3 -0.890 19.2-177.9-100.4 132.1 11.1 1.8 -10.5 31 32 A T E - f 0 132B 1 35,-2.3 121,-0.3 -2,-0.5 102,-0.2 -0.878 30.2-110.9-128.4 157.6 10.1 5.3 -9.3 32 33 A S + 0 0 2 100,-1.7 6,-0.1 -2,-0.3 119,-0.1 -0.327 61.0 116.2 -68.5 165.8 7.3 7.0 -7.5 33 34 A G + 0 0 0 6,-0.2 36,-2.8 4,-0.1 35,-1.0 0.046 27.5 175.7 130.5 120.9 5.3 9.4 -9.7 34 35 A F B > S-K 37 0C 0 3,-1.9 3,-1.8 34,-0.3 282,-0.2 -0.952 70.3 -18.1-155.8 124.7 1.8 9.6 -10.9 35 36 A T T 3 S- 0 0 9 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.868 127.7 -46.5 39.4 57.0 0.1 12.4 -13.0 36 37 A G T 3 S+ 0 0 4 34,-0.7 191,-1.0 35,-0.4 2,-0.4 0.633 117.7 110.9 69.5 15.0 2.7 15.0 -12.3 37 38 A A B < S-K 34 0C 5 -3,-1.8 -3,-1.9 33,-0.4 -1,-0.2 -0.975 74.3 -4.3-129.1 127.9 2.8 14.2 -8.5 38 39 A G S S+ 0 0 0 -2,-0.4 96,-0.7 1,-0.3 109,-0.2 0.594 79.3 141.0 84.4 12.2 5.3 12.7 -6.2 39 40 A Y - 0 0 0 94,-0.1 -1,-0.3 1,-0.1 -6,-0.2 -0.527 59.7 -97.0 -81.6 154.6 8.0 11.7 -8.6 40 41 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 94,-0.0 -0.401 41.9 177.3 -71.4 152.7 11.7 12.1 -7.7 41 42 A K > + 0 0 0 -2,-0.1 4,-1.4 3,-0.1 5,-0.1 0.747 63.1 44.4-128.5 -50.2 13.3 15.2 -9.0 42 43 A E H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 110.5 50.6 -77.1 -45.7 17.0 15.8 -8.0 43 44 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 110.6 49.9 -61.8 -43.2 18.4 12.4 -8.6 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.912 110.2 51.4 -62.9 -37.5 17.0 12.1 -12.1 45 46 A K H X S+ 0 0 81 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.928 113.1 44.4 -60.0 -47.8 18.4 15.6 -13.0 46 47 A A H X S+ 0 0 8 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.903 113.6 51.7 -62.4 -41.2 21.8 14.6 -11.8 47 48 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.879 106.5 53.3 -63.4 -40.7 21.5 11.3 -13.6 48 49 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 107.0 52.7 -61.8 -43.8 20.6 13.0 -16.9 49 50 A Q H X S+ 0 0 131 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.908 111.0 45.7 -56.9 -47.3 23.7 15.2 -16.7 50 51 A R H X S+ 0 0 68 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.863 110.5 54.1 -68.7 -36.8 26.0 12.2 -16.3 51 52 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.929 108.2 49.5 -59.2 -47.2 24.2 10.3 -19.1 52 53 A E H X S+ 0 0 87 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.902 110.3 51.4 -59.4 -42.3 24.8 13.2 -21.4 53 54 A A H X S+ 0 0 51 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.918 111.1 46.9 -61.2 -45.8 28.4 13.3 -20.5 54 55 A A H ><>S+ 0 0 9 -4,-2.3 5,-2.8 1,-0.2 3,-1.1 0.938 112.3 50.3 -61.4 -48.4 28.9 9.6 -21.1 55 56 A H H ><5S+ 0 0 55 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.915 103.6 58.1 -56.1 -47.1 27.1 9.9 -24.5 56 57 A D H 3<5S+ 0 0 134 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.750 108.7 48.3 -57.5 -21.3 29.3 12.8 -25.5 57 58 A R T <<5S- 0 0 221 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.190 124.5-101.5-105.0 14.2 32.2 10.5 -25.0 58 59 A G T < 5S+ 0 0 76 -3,-2.5 2,-0.5 1,-0.3 -3,-0.2 0.732 79.2 136.4 73.4 23.9 30.8 7.5 -27.0 59 60 A E < - 0 0 120 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.892 53.6-124.2-106.6 132.1 29.8 5.7 -23.8 60 61 A K + 0 0 165 -2,-0.5 -35,-0.2 -3,-0.1 2,-0.2 -0.476 35.7 162.7 -71.3 139.4 26.3 4.0 -23.5 61 62 A Y + 0 0 13 22,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.627 14.8 134.3-160.4 96.6 24.1 5.0 -20.5 62 63 A Q - 0 0 48 -2,-0.2 -36,-3.5 23,-0.1 2,-0.3 -0.984 28.2-158.6-142.4 154.3 20.4 4.2 -20.5 63 64 A I E - g 0 85B 3 21,-2.5 23,-2.2 -2,-0.3 24,-1.0 -0.811 24.9-117.1-122.8 163.3 17.9 2.8 -18.1 64 65 A S E -eg 28 87B 4 -37,-2.6 -35,-3.4 -2,-0.3 2,-0.6 -0.939 35.2-156.5 -94.6 127.0 14.6 1.1 -18.1 65 66 A L E +eg 29 88B 0 22,-2.6 24,-1.9 -2,-0.6 2,-0.5 -0.923 15.2 179.2-115.5 112.9 12.2 3.4 -16.3 66 67 A I E +eg 30 89B 0 -37,-2.9 -35,-2.3 -2,-0.6 2,-0.2 -0.948 15.0 171.0-114.1 129.8 9.0 2.0 -14.7 67 68 A T - 0 0 0 22,-1.9 -35,-0.1 -2,-0.5 -34,-0.1 -0.527 48.2-104.1-123.5-174.0 6.8 4.4 -12.9 68 69 A G S S- 0 0 0 -35,-1.0 -34,-0.3 1,-0.2 -1,-0.2 0.934 90.4 -60.2 -73.1 -67.6 3.4 4.8 -11.2 69 70 A A S S- 0 0 0 -36,-2.8 22,-0.3 1,-0.4 -1,-0.2 -0.406 99.6 -5.7-142.3-126.0 2.1 6.7 -14.2 70 71 A S - 0 0 2 -2,-0.2 -34,-0.7 1,-0.1 -33,-0.4 -0.353 58.7-171.3 -75.4 154.7 3.2 10.0 -15.7 71 72 A T - 0 0 1 -36,-0.2 -35,-0.4 -35,-0.1 156,-0.2 0.429 20.6-104.3-112.3-110.4 5.9 12.0 -14.0 72 73 A G >>> - 0 0 3 -37,-0.1 3,-1.4 -36,-0.1 5,-1.4 -0.954 41.7 -67.6-173.5 178.2 7.2 15.6 -14.8 73 74 A P T 34>S+ 0 0 61 0, 0.0 5,-1.7 0, 0.0 6,-0.1 0.834 122.3 58.9 -54.1 -39.3 9.9 17.7 -16.4 74 75 A Q T 345S+ 0 0 23 3,-0.2 152,-0.0 4,-0.1 5,-0.0 0.735 123.1 18.6 -65.2 -23.7 12.5 16.8 -13.8 75 76 A L T <>5S+ 0 0 3 -3,-1.4 4,-2.4 3,-0.1 5,-0.4 0.741 135.4 25.9-114.0 -77.5 12.2 13.1 -14.6 76 77 A D H X5S+ 0 0 0 -4,-0.9 4,-2.5 1,-0.2 5,-0.2 0.939 127.2 49.1 -55.4 -46.2 10.7 12.1 -17.9 77 78 A G H >S+ 0 0 2 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.901 112.7 49.2 -63.6 -40.3 16.0 11.8 -19.0 80 81 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.4 -5,-0.4 -2,-0.2 0.917 108.5 53.9 -66.4 -39.6 14.3 12.1 -22.5 81 82 A K H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.900 111.0 46.4 -57.3 -39.1 16.4 15.1 -23.3 82 83 A A T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.484 109.4-126.3 -81.9 -3.2 19.5 13.1 -22.4 83 84 A N T < 5 + 0 0 51 -3,-1.4 -3,-0.2 -4,-0.3 -22,-0.2 0.903 64.2 142.3 55.7 43.3 18.3 10.2 -24.5 84 85 A G < + 0 0 0 -5,-2.6 -21,-2.5 -6,-0.1 2,-0.5 0.256 36.0 84.1-101.5 12.1 18.8 8.1 -21.4 85 86 A V E +g 63 0B 0 -6,-0.3 -21,-0.2 -23,-0.3 3,-0.1 -0.938 38.6 173.4-124.7 115.1 15.8 5.7 -21.5 86 87 A Y E S+ 0 0 80 -23,-2.2 21,-2.4 -2,-0.5 2,-0.3 0.798 78.8 18.9 -87.2 -28.9 15.8 2.5 -23.5 87 88 A F E -gh 64 107B 14 -24,-1.0 -22,-2.6 19,-0.2 2,-0.4 -0.994 67.6-171.1-142.9 136.9 12.4 1.3 -22.2 88 89 A R E -gh 65 108B 0 19,-2.9 21,-1.6 -2,-0.3 -22,-0.2 -0.984 11.8-147.1-131.1 137.8 9.5 3.1 -20.6 89 90 A S E -g 66 0B 0 -24,-1.9 -22,-1.9 -2,-0.4 21,-0.1 -0.966 46.9 -14.9-158.7 148.8 6.3 1.9 -18.9 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.986 104.6 -2.9-114.4 -2.4 3.4 2.4 -18.2 91 92 A F + 0 0 7 -22,-0.3 2,-0.3 19,-0.1 293,-0.2 -0.961 50.2 177.1-158.9 133.5 2.3 6.0 -18.8 92 93 A N + 0 0 2 291,-1.2 -22,-0.1 -2,-0.3 -4,-0.0 -0.990 18.6 172.8-140.9 144.3 3.9 9.3 -19.9 93 94 A T + 0 0 36 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.288 47.4 117.8-128.3 2.7 2.7 12.8 -20.7 94 95 A D > - 0 0 25 1,-0.1 4,-2.7 -22,-0.1 5,-0.2 -0.591 59.1-143.3 -75.0 132.4 6.1 14.5 -21.2 95 96 A A H > S+ 0 0 55 -2,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.831 98.3 48.7 -68.7 -35.5 6.5 15.9 -24.7 96 97 A T H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 113.4 46.5 -69.3 -45.5 10.2 15.1 -25.0 97 98 A M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 110.4 55.1 -60.4 -42.1 9.7 11.5 -23.8 98 99 A R H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.915 106.5 50.7 -57.0 -43.5 6.7 11.3 -26.2 99 100 A N H X S+ 0 0 105 -4,-1.9 4,-1.4 1,-0.2 6,-0.2 0.920 108.8 51.2 -61.4 -41.8 8.9 12.3 -29.1 100 101 A R H <>S+ 0 0 50 -4,-2.1 5,-2.5 1,-0.2 6,-1.5 0.900 111.9 47.7 -59.6 -42.6 11.5 9.7 -28.2 101 102 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.0 4,-0.2 -2,-0.2 0.930 113.2 46.8 -63.9 -46.2 8.8 7.0 -28.1 102 103 A N H 3<5S+ 0 0 17 -4,-2.5 891,-1.8 1,-0.3 -1,-0.2 0.628 110.7 52.1 -76.0 -13.9 7.3 8.1 -31.5 103 104 A A T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.435 116.4-113.5 -94.4 -4.2 10.7 8.3 -33.1 104 105 A G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.646 86.9 116.5 82.4 14.7 11.5 4.7 -32.0 105 106 A E S > - 0 0 0 1,-0.1 3,-1.6 828,-0.1 4,-0.7 -0.408 44.0-128.5 -50.2 131.2 -3.3 -1.1 -17.7 113 114 A L G >4 S+ 0 0 0 273,-1.6 3,-0.8 1,-0.3 4,-0.4 0.859 105.0 54.3 -62.0 -38.2 -2.3 0.9 -14.6 114 115 A G G 34 S+ 0 0 5 1,-0.2 -1,-0.3 232,-0.2 4,-0.3 0.621 109.8 50.1 -69.8 -12.4 -3.9 -1.4 -12.1 115 116 A Q G <> S+ 0 0 18 -3,-1.6 4,-2.2 2,-0.1 -1,-0.2 0.534 83.1 89.1-100.1 -12.2 -1.9 -4.3 -13.5 116 117 A V H S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.906 111.8 47.6 -56.8 -45.7 2.5 -4.0 -10.0 118 119 A G H > S+ 0 0 1 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.875 112.0 48.9 -67.2 -37.8 1.4 -7.6 -10.6 119 120 A R H X>S+ 0 0 22 -4,-2.2 5,-2.4 2,-0.2 4,-0.5 0.877 110.2 52.4 -70.1 -34.7 3.3 -7.7 -13.9 120 121 A A H ><5S+ 0 0 3 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.931 110.4 47.4 -62.8 -45.9 6.4 -6.3 -12.2 121 122 A V H 3<5S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.870 107.0 57.6 -63.6 -36.2 6.2 -9.0 -9.5 122 123 A Q H 3<5S- 0 0 31 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.630 120.1-112.9 -68.0 -14.3 5.7 -11.6 -12.2 123 124 A G T X<5S+ 0 0 38 -3,-1.1 3,-1.8 -4,-0.5 -3,-0.2 0.504 71.4 139.7 96.6 7.2 9.1 -10.4 -13.7 124 125 A N T 3 - 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0 0 6 -4,-2.6 8,-0.1 -5,-0.2 -4,-0.0 -0.317 64.7-123.4 -68.8 146.5 4.5 5.3 -40.9 991 478 B F S S+ 0 0 78 6,-0.4 2,-0.3 -614,-0.1 -1,-0.1 0.928 101.5 16.0 -47.4 -53.9 3.0 8.5 -39.6 992 479 B G - 0 0 3 3,-0.2 5,-0.3 5,-0.1 -612,-0.2 -0.845 69.9-144.3-116.4 161.7 4.3 7.6 -36.1 993 480 B K S S+ 0 0 59 -891,-1.8 -613,-0.1 -2,-0.3 -890,-0.1 0.378 83.4 82.7-108.0 5.4 6.9 4.9 -35.2 994 481 B H S S+ 0 0 7 -615,-1.1 -34,-0.5 1,-0.3 -614,-0.2 0.923 118.0 5.6 -71.2 -46.7 5.4 3.7 -32.0 995 482 B T S S- 0 0 3 -616,-1.7 -1,-0.3 -36,-0.1 -3,-0.2 -0.635 93.5-151.2-133.6 75.3 3.0 1.3 -33.7 996 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.223 24.7 163.6 -56.8 127.1 4.0 1.7 -37.4 997 484 B H - 0 0 12 -5,-0.3 2,-0.5 -11,-0.3 -6,-0.4 -0.944 37.9-142.7-135.4 159.6 1.3 1.1 -40.0 998 485 B L >> - 0 0 18 -2,-0.3 3,-1.9 -8,-0.1 4,-1.7 -0.933 18.6-164.0-116.7 101.2 0.7 1.8 -43.7 999 486 B L T 34 S+ 0 0 13 -2,-0.5 4,-0.4 1,-0.3 -510,-0.2 0.738 83.2 65.8 -63.8 -23.0 -3.0 2.7 -43.7 1000 487 B T T 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 -510,-0.0 0.776 120.2 19.8 -69.4 -23.7 -3.2 2.2 -47.4 1001 488 B E T X4 S+ 0 0 46 -3,-1.9 3,-1.9 2,-0.1 4,-0.5 0.495 90.8 103.7-123.3 -1.2 -2.5 -1.5 -47.0 1002 489 B A T 3< S+ 0 0 0 -4,-1.7 -71,-0.8 1,-0.3 3,-0.3 0.861 100.3 26.0 -48.6 -44.0 -3.3 -2.3 -43.4 1003 490 B L T 3> S+ 0 0 7 -4,-0.4 4,-2.0 -518,-0.2 -1,-0.3 0.243 93.7 106.4-104.7 11.8 -6.6 -4.0 -44.4 1004 491 B S H <> S+ 0 0 33 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.750 72.5 57.3 -67.7 -26.5 -5.5 -4.9 -47.9 1005 492 B W H > S+ 0 0 7 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.889 107.8 48.8 -71.3 -38.7 -5.1 -8.6 -47.3 1006 493 B H H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.934 111.5 48.3 -62.2 -48.5 -8.7 -8.9 -46.1 1007 494 B Q H X S+ 0 0 34 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.892 109.2 55.2 -60.7 -35.8 -9.9 -7.0 -49.2 1008 495 B R H X S+ 0 0 67 -4,-1.9 4,-2.9 2,-0.2 6,-0.6 0.919 107.2 48.8 -62.4 -43.7 -7.8 -9.3 -51.3 1009 496 B F H X S+ 0 0 34 -4,-2.1 4,-2.3 4,-0.2 -1,-0.2 0.924 112.5 48.9 -60.2 -44.8 -9.5 -12.3 -49.8 1010 497 B I H < S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 118.3 39.9 -57.5 -48.3 -12.9 -10.7 -50.5 1011 498 B D H < S+ 0 0 114 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.811 135.0 14.3 -72.2 -33.6 -11.9 -9.9 -54.1 1012 499 B T H < S- 0 0 89 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.502 96.0-111.4-125.9 -11.4 -10.1 -13.1 -55.0 1013 500 B G S < S+ 0 0 33 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.2 0.471 91.8 65.7 86.6 0.9 -10.8 -15.8 -52.5 1014 501 B T - 0 0 33 -6,-0.6 -2,-0.2 2,-0.1 -89,-0.2 -0.993 68.5-140.8-152.0 152.0 -7.2 -15.8 -51.1 1015 502 B M S S+ 0 0 0 -91,-2.7 -90,-0.1 -2,-0.3 -91,-0.1 0.592 80.2 96.9 -85.2 -14.3 -4.8 -13.5 -49.2 1016 503 B L S S- 0 0 58 -92,-0.2 -2,-0.1 -93,-0.1 -41,-0.1 -0.647 80.9-122.6 -76.5 125.2 -1.9 -14.7 -51.4 1017 504 B P 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.286 360.0 360.0 -64.6 155.6 -1.3 -12.3 -54.2 1018 505 B S 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.740 360.0 360.0 -89.3 360.0 -1.4 -13.7 -57.8