==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-08 3CDK . COMPND 2 MOLECULE: SUCCINYL-COA:3-KETOACID-COENZYME A TRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.KIM,M.ZHOU,L.STOLS,W.ESCHENFELDT,M.DONNELLY,A.JOACHIMIAK, . 870 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.0 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 . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 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 . 65 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 5 1 5 0 3 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 8 8 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 6 2 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 0 1 0 2 0 2 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 4 A G 0 0 109 0, 0.0 160,-0.2 0, 0.0 159,-0.1 0.000 360.0 360.0 360.0-128.7 -19.3 33.2 -31.0 2 5 A K + 0 0 60 158,-2.1 210,-1.3 209,-0.1 2,-0.2 0.514 360.0 120.5 -91.4 -4.0 -19.1 30.6 -28.2 3 6 A V B -a 212 0A 61 157,-0.2 2,-0.4 208,-0.2 210,-0.2 -0.393 47.5-159.7 -77.8 128.9 -15.4 30.2 -29.1 4 7 A L - 0 0 29 208,-2.5 210,-0.4 -2,-0.2 3,-0.1 -0.849 21.2-130.8-103.6 141.2 -12.5 30.9 -26.6 5 8 A S S S+ 0 0 118 -2,-0.4 2,-0.3 1,-0.1 209,-0.1 0.792 81.6 7.6 -60.1 -35.2 -9.0 31.6 -27.7 6 9 A S > - 0 0 47 1,-0.1 4,-1.9 207,-0.1 3,-0.2 -0.998 61.9-119.0-151.9 156.8 -7.3 29.1 -25.4 7 10 A S H > S+ 0 0 13 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.774 111.1 65.9 -58.0 -30.3 -7.8 26.2 -22.9 8 11 A K H > S+ 0 0 143 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.966 104.6 41.7 -56.1 -58.5 -6.0 28.5 -20.3 9 12 A E H >4 S+ 0 0 91 1,-0.2 3,-2.0 2,-0.2 4,-0.4 0.961 114.3 52.7 -50.3 -60.1 -8.9 31.0 -20.4 10 13 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.797 101.9 60.1 -46.6 -38.0 -11.4 28.2 -20.4 11 14 A A H >< S+ 0 0 4 -4,-2.3 3,-1.9 -3,-0.3 -1,-0.3 0.759 88.5 71.8 -69.1 -23.0 -9.8 26.6 -17.4 12 15 A K T << S+ 0 0 137 -3,-2.0 -1,-0.3 -4,-0.9 -2,-0.2 0.690 84.2 71.4 -64.2 -19.1 -10.4 29.7 -15.2 13 16 A L T < S+ 0 0 57 -3,-1.4 2,-0.5 -4,-0.4 -1,-0.3 0.412 83.6 80.2 -78.4 -1.6 -14.1 28.7 -15.3 14 17 A I < - 0 0 6 -3,-1.9 2,-0.3 4,-0.0 29,-0.1 -0.945 69.0-168.0-104.8 132.7 -13.3 25.8 -13.0 15 18 A H > - 0 0 119 -2,-0.5 3,-2.2 28,-0.1 134,-0.1 -0.824 34.3 -73.9-120.9 159.3 -13.0 26.7 -9.2 16 19 A D T 3 S+ 0 0 96 -2,-0.3 29,-0.2 1,-0.3 -1,-0.1 -0.218 119.0 14.9 -45.9 118.1 -11.8 25.2 -5.9 17 20 A G T 3 S+ 0 0 40 27,-2.5 -1,-0.3 1,-0.2 28,-0.1 0.443 90.8 146.0 96.3 2.2 -14.5 22.6 -4.9 18 21 A D < - 0 0 28 -3,-2.2 29,-2.1 26,-0.3 2,-0.6 -0.210 53.5-118.1 -74.6 162.3 -16.4 22.3 -8.1 19 22 A T E -b 47 0A 32 27,-0.2 131,-2.4 29,-0.1 130,-0.8 -0.911 33.8-164.1 -93.3 117.7 -18.1 19.2 -9.5 20 23 A L E -bc 48 150A 0 27,-2.5 29,-3.1 -2,-0.6 2,-0.5 -0.929 6.0-164.6-106.0 132.8 -16.4 18.5 -12.8 21 24 A I E -bc 49 151A 1 129,-2.1 131,-3.6 -2,-0.5 2,-0.4 -0.979 12.6-168.5-120.2 129.9 -18.0 16.1 -15.2 22 25 A A E -bc 50 152A 2 27,-2.4 29,-0.5 -2,-0.5 131,-0.2 -0.970 13.7-137.4-133.3 130.8 -15.8 14.8 -17.9 23 26 A G + 0 0 1 129,-2.2 149,-0.1 -2,-0.4 148,-0.1 -0.004 52.1 87.3 -68.9 179.0 -16.5 12.9 -21.1 24 27 A G - 0 0 1 147,-0.3 27,-0.5 146,-0.2 2,-0.4 0.131 55.4-130.9 104.6 144.8 -14.4 10.0 -22.3 25 28 A F B > S-J 28 0B 2 3,-2.6 3,-2.1 26,-0.1 2,-0.3 -0.985 80.3 -37.0-127.1 116.3 -14.1 6.3 -21.9 26 29 A G T 3 S- 0 0 4 -2,-0.4 28,-0.3 1,-0.3 26,-0.2 -0.577 124.1 -33.4 66.5-127.1 -10.6 5.1 -21.2 27 30 A L T > S+ 0 0 15 -2,-0.3 2,-0.6 27,-0.1 3,-0.5 0.203 119.1 106.5-100.2 12.4 -8.3 7.4 -23.2 28 31 A C B < S-J 25 0B 4 -3,-2.1 -3,-2.6 1,-0.2 267,-0.1 -0.816 87.2 -0.8-104.6 122.3 -10.9 7.7 -25.9 29 32 A G T 3 S+ 0 0 4 -2,-0.6 125,-0.5 1,-0.3 -1,-0.2 0.862 93.4 148.5 76.3 34.6 -13.0 10.8 -26.5 30 33 A I < - 0 0 12 -3,-0.5 2,-1.9 -6,-0.1 -1,-0.3 -0.800 58.6-120.2-103.6 143.8 -11.4 12.5 -23.6 31 34 A P > + 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.432 42.6 166.7 -77.3 69.8 -10.7 16.3 -23.3 32 35 A E H > S+ 0 0 7 -2,-1.9 4,-1.7 1,-0.2 5,-0.1 0.850 72.5 48.4 -49.8 -41.7 -6.9 15.9 -23.0 33 36 A Q H > S+ 0 0 58 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 109.8 48.8 -72.8 -46.7 -6.3 19.7 -23.5 34 37 A L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 111.7 52.0 -57.0 -41.1 -8.8 21.0 -21.0 35 38 A I H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.874 108.1 50.3 -63.3 -40.5 -7.4 18.6 -18.4 36 39 A L H X S+ 0 0 45 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.931 110.5 49.3 -63.4 -44.9 -3.9 19.8 -19.0 37 40 A S H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.885 111.0 51.2 -63.0 -36.7 -5.0 23.4 -18.6 38 41 A I H X>S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 5,-0.6 0.954 106.5 52.9 -65.1 -51.7 -6.8 22.4 -15.4 39 42 A R H ><5S+ 0 0 66 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.932 110.6 48.7 -48.5 -51.1 -3.7 20.7 -14.0 40 43 A D H 3<5S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 103.8 58.8 -58.3 -38.5 -1.7 23.9 -14.7 41 44 A Q H 3<5S- 0 0 76 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.788 98.5-142.3 -63.4 -27.4 -4.3 26.2 -13.0 42 45 A G T <<5 + 0 0 37 -4,-1.4 -3,-0.1 -3,-0.9 -2,-0.1 0.469 33.8 170.6 82.1 2.7 -3.8 24.1 -9.8 43 46 A V < - 0 0 13 -5,-0.6 2,-0.2 -29,-0.1 3,-0.2 -0.043 16.7-156.4 -46.2 146.6 -7.5 24.2 -8.9 44 47 A K + 0 0 108 1,-0.2 -27,-2.5 25,-0.0 -26,-0.3 -0.709 51.1 37.4-134.9-178.4 -8.3 21.9 -5.9 45 48 A D S S+ 0 0 71 22,-0.4 24,-0.2 -29,-0.2 2,-0.2 0.811 70.6 172.1 42.8 42.2 -10.8 19.8 -3.9 46 49 A L E - d 0 69A 0 22,-2.7 24,-2.7 -3,-0.2 25,-1.9 -0.505 32.1-150.5 -72.9 141.3 -12.5 18.7 -7.1 47 50 A T E -bd 19 71A 28 -29,-2.1 -27,-2.5 23,-0.2 2,-0.5 -0.981 27.2-162.4 -98.6 118.6 -15.2 16.1 -7.0 48 51 A V E -bd 20 72A 0 23,-3.0 25,-3.1 -2,-0.6 2,-0.6 -0.950 14.2-164.7-116.3 134.0 -14.8 14.6 -10.5 49 52 A V E +bd 21 73A 0 -29,-3.1 -27,-2.4 -2,-0.5 2,-0.3 -0.960 32.9 130.5-110.4 113.4 -17.4 12.5 -12.2 50 53 A S E -b 22 0A 5 23,-2.3 25,-0.2 -2,-0.6 -27,-0.1 -0.976 65.4-107.7-158.6 157.3 -16.2 10.6 -15.2 51 54 A N S S- 0 0 0 -27,-0.5 24,-2.3 -29,-0.5 25,-1.5 0.918 99.9 -1.8 -53.5 -52.4 -16.4 7.0 -16.3 52 55 A N S S- 0 0 7 -28,-0.3 25,-0.2 22,-0.2 8,-0.1 -0.728 71.8-112.5-124.1-177.9 -12.7 6.2 -15.6 53 56 A C - 0 0 1 24,-0.4 5,-0.1 23,-0.4 11,-0.1 -0.337 49.5-123.1-111.5 48.5 -9.7 8.2 -14.2 54 57 A G - 0 0 13 -28,-0.3 -1,-0.4 6,-0.2 2,-0.3 -0.155 54.6 -53.4 50.0-138.2 -7.7 8.2 -17.5 55 58 A V - 0 0 18 3,-2.7 6,-0.4 -3,-0.1 3,-0.2 -0.779 53.6-102.6-118.6 173.5 -4.3 6.6 -16.9 56 59 A D S S+ 0 0 60 -2,-0.3 9,-0.1 1,-0.2 3,-0.1 0.700 125.4 41.3 -69.9 -9.8 -1.8 7.7 -14.2 57 60 A D S S+ 0 0 97 1,-0.2 2,-0.3 8,-0.0 -1,-0.2 0.630 120.4 29.2-104.0 -32.0 -0.0 9.5 -17.0 58 61 A W S > S+ 0 0 47 -3,-0.2 -3,-2.7 -5,-0.1 3,-1.1 -0.935 101.9 2.9-146.5 155.8 -2.8 10.9 -19.1 59 62 A G T > S- 0 0 3 -2,-0.3 3,-2.7 1,-0.2 4,-0.4 -0.310 125.0 -6.2 62.1-142.6 -6.3 12.3 -18.9 60 63 A L T >> S+ 0 0 7 1,-0.3 4,-1.7 2,-0.2 3,-1.1 0.698 121.7 76.5 -61.5 -19.6 -7.9 12.6 -15.5 61 64 A G H <> S+ 0 0 0 -3,-1.1 4,-2.4 -6,-0.4 -1,-0.3 0.751 85.9 64.4 -64.9 -22.5 -5.0 10.7 -13.9 62 65 A L H <> S+ 0 0 20 -3,-2.7 4,-0.9 2,-0.2 -1,-0.3 0.840 101.9 47.3 -68.8 -34.1 -3.1 14.0 -14.2 63 66 A L H <4>S+ 0 0 0 -3,-1.1 5,-2.4 -4,-0.4 3,-0.4 0.923 111.8 50.9 -70.7 -42.1 -5.5 15.6 -11.8 64 67 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.942 110.2 49.0 -58.4 -48.4 -5.2 12.7 -9.4 65 68 A A H 3<5S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.642 107.7 53.4 -77.0 -14.0 -1.4 12.8 -9.4 66 69 A N T 3<5S- 0 0 71 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.327 116.3-115.2 -92.9 3.2 -1.3 16.6 -8.8 67 70 A K T < 5S+ 0 0 138 -3,-1.7 -22,-0.4 -4,-0.2 -3,-0.2 0.755 75.1 132.2 71.1 33.3 -3.5 16.1 -5.7 68 71 A Q < + 0 0 3 -5,-2.4 -22,-2.7 -24,-0.1 2,-0.5 0.532 44.7 82.8 -94.9 -9.1 -6.5 18.1 -7.2 69 72 A I E +d 46 0A 6 -6,-0.4 -22,-0.2 -24,-0.2 3,-0.1 -0.873 40.9 177.0-112.1 122.6 -9.3 15.7 -6.5 70 73 A K E S+ 0 0 98 -24,-2.7 23,-2.3 -2,-0.5 2,-0.3 0.847 79.4 11.5 -79.0 -40.8 -11.2 15.3 -3.2 71 74 A K E -de 47 93A 56 -25,-1.9 -23,-3.0 21,-0.2 2,-0.4 -1.000 62.2-153.3-148.6 137.5 -13.6 12.7 -4.5 72 75 A M E -de 48 94A 0 21,-2.2 23,-2.8 -2,-0.3 2,-0.5 -0.947 2.5-168.0-111.3 131.5 -14.0 10.5 -7.6 73 76 A I E +de 49 95A 11 -25,-3.1 -23,-2.3 -2,-0.4 2,-0.3 -0.971 36.9 129.9-117.4 117.6 -17.3 9.2 -9.0 74 77 A A E - e 0 96A 1 21,-1.7 23,-2.3 -2,-0.5 -23,-0.2 -0.936 59.2-129.3-158.3 167.3 -16.6 6.5 -11.6 75 78 A S S S+ 0 0 0 -24,-2.3 282,-2.4 1,-0.3 281,-0.9 0.686 93.9 17.2 -98.6 -25.1 -17.4 3.0 -12.7 76 79 A Y B -K 355 0C 66 -25,-1.5 -23,-0.4 279,-0.2 -1,-0.3 -0.977 51.3-170.5-157.5 134.3 -13.9 1.7 -13.1 77 80 A V - 0 0 11 277,-3.5 -24,-0.4 -2,-0.3 2,-0.4 0.895 24.2-172.4 -96.7 -50.4 -10.5 2.8 -11.8 78 81 A G - 0 0 9 276,-0.4 -1,-0.2 1,-0.1 2,-0.1 -0.713 53.5 -17.6 95.0-137.6 -7.9 0.6 -13.6 79 82 A E S S+ 0 0 113 -2,-0.4 2,-0.9 4,-0.0 -23,-0.2 -0.257 76.5 143.6-111.9 45.5 -4.2 0.6 -12.9 80 83 A N > + 0 0 10 1,-0.2 4,-2.0 -2,-0.1 -2,-0.0 -0.733 23.8 179.7 -92.0 103.7 -3.5 3.7 -11.0 81 84 A K H > S+ 0 0 180 -2,-0.9 4,-0.5 1,-0.2 -1,-0.2 0.648 92.4 54.1 -76.0 -13.9 -0.8 3.3 -8.3 82 85 A I H > S+ 0 0 45 2,-0.1 4,-0.9 -3,-0.1 -1,-0.2 0.783 107.3 54.5 -75.2 -33.0 -1.4 6.9 -7.5 83 86 A F H >> S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.942 102.2 52.9 -64.8 -49.3 -5.0 6.0 -7.2 84 87 A E H 3X S+ 0 0 63 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.785 109.3 46.8 -64.1 -30.7 -4.8 3.2 -4.6 85 88 A R H 3< S+ 0 0 114 -4,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.678 107.1 53.7 -93.6 -20.3 -2.8 5.1 -2.0 86 89 A Q H <<>S+ 0 0 4 -4,-0.9 6,-1.3 -3,-0.6 5,-0.6 0.897 112.5 47.0 -74.1 -43.6 -4.8 8.4 -1.9 87 90 A F H ><5S+ 0 0 72 -4,-1.7 3,-2.8 1,-0.2 5,-0.4 0.986 110.4 50.4 -55.0 -62.7 -7.9 6.3 -1.3 88 91 A L T 3<5S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.642 105.4 61.0 -52.9 -16.6 -6.3 4.2 1.4 89 92 A S T 3 5S- 0 0 73 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.612 108.4-122.1 -85.6 -15.2 -5.1 7.5 3.1 90 93 A G T < 5S+ 0 0 52 -3,-2.8 -3,-0.1 -4,-0.4 -2,-0.1 0.063 93.1 102.6 89.2 -19.5 -8.7 8.8 3.6 91 94 A E S - 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.5 -0.377 36.4-124.5 -61.0 133.4 -22.4 1.0 -12.0 99 102 A Q H > S+ 0 0 5 258,-1.9 4,-2.9 1,-0.3 5,-0.2 0.854 109.7 47.7 -46.1 -49.9 -21.6 2.3 -15.5 100 103 A G H > S+ 0 0 0 257,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.888 114.0 48.5 -63.5 -37.2 -25.1 2.2 -16.8 101 104 A T H > S+ 0 0 0 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.883 109.8 52.7 -67.4 -39.8 -26.3 3.9 -13.6 102 105 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.959 110.8 46.6 -62.1 -50.5 -23.6 6.5 -14.0 103 106 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.2 0.960 114.7 46.3 -50.8 -53.7 -24.6 7.3 -17.5 104 107 A E H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.781 110.0 55.4 -68.7 -21.2 -28.3 7.5 -16.6 105 108 A R H X S+ 0 0 24 -4,-1.7 41,-2.3 2,-0.2 4,-2.2 0.900 109.3 44.7 -76.4 -38.6 -27.6 9.6 -13.6 106 109 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 -3,-0.2 5,-0.2 0.934 115.6 48.2 -71.0 -43.9 -25.7 12.3 -15.6 107 110 A R H X S+ 0 0 13 -4,-2.7 4,-2.2 -5,-0.2 6,-0.2 0.954 110.1 53.8 -54.1 -49.4 -28.4 12.2 -18.2 108 111 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.2 4,-0.5 0.913 108.5 47.0 -53.5 -50.6 -31.0 12.5 -15.4 109 112 A G H ><5S+ 0 0 17 -4,-2.2 3,-0.9 37,-0.3 -1,-0.2 0.906 115.1 46.7 -62.2 -46.6 -29.5 15.6 -13.9 110 113 A G H 3<5S+ 0 0 2 -4,-2.2 -1,-0.3 36,-0.3 -2,-0.2 0.777 113.2 50.6 -59.2 -29.0 -29.2 17.2 -17.2 111 114 A A H 3<5S- 0 0 0 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.391 116.5-108.9 -96.9 4.0 -32.7 16.2 -18.1 112 115 A G T <<5S+ 0 0 21 -3,-0.9 452,-0.2 -4,-0.5 -3,-0.2 0.494 73.9 137.9 82.0 3.8 -34.3 17.5 -14.9 113 116 A I < - 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