==== 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 22-FEB-08 3CBG . COMPND 2 MOLECULE: O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR J.G.KOPYCKI,P.NEUMANN,M.T.STUBBS . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.9 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 . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 1 0 3 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A K 0 0 99 0, 0.0 42,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 3.1 -41.8 2.9 -3.6 2 4 A G - 0 0 15 1,-0.1 207,-0.5 2,-0.1 2,-0.4 -0.275 360.0 -47.4 57.5-135.0 -45.1 4.6 -4.5 3 5 A I B > -a 209 0A 13 3,-0.2 3,-2.5 205,-0.1 207,-0.2 -0.951 58.9-112.6-139.7 116.4 -46.9 6.4 -1.7 4 6 A T T 3 S+ 0 0 28 205,-2.8 3,-0.1 -2,-0.4 169,-0.1 -0.238 100.4 2.0 -52.2 121.4 -47.4 4.7 1.7 5 7 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 167,-0.1 -1,-0.3 0.498 103.1 127.4 79.5 6.1 -51.1 4.1 2.3 6 8 A F S < S- 0 0 73 -3,-2.5 -1,-0.3 1,-0.1 -3,-0.2 -0.716 71.0 -93.5 -99.7 146.8 -52.1 5.5 -1.1 7 9 A D > - 0 0 84 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.324 27.7-141.8 -57.0 128.4 -54.2 3.7 -3.7 8 10 A P H > S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.864 102.4 47.3 -59.6 -39.5 -52.0 1.8 -6.2 9 11 A S H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.856 114.9 44.5 -71.3 -38.5 -54.3 2.7 -9.1 10 12 A L H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.794 110.1 56.4 -77.7 -27.9 -54.5 6.4 -8.1 11 13 A Y H X S+ 0 0 24 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.877 104.1 53.1 -69.6 -36.4 -50.8 6.4 -7.5 12 14 A S H X S+ 0 0 62 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.914 112.4 45.2 -63.4 -41.9 -50.2 5.3 -11.1 13 15 A Y H X S+ 0 0 136 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.952 108.7 54.7 -64.8 -51.0 -52.4 8.1 -12.3 14 16 A L H < S+ 0 0 40 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.881 109.2 50.0 -50.1 -40.3 -50.7 10.7 -10.0 15 17 A Q H >< S+ 0 0 88 -4,-2.1 3,-1.9 1,-0.2 -1,-0.3 0.912 104.6 58.4 -63.6 -42.8 -47.4 9.5 -11.6 16 18 A S H 3< S+ 0 0 92 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.810 112.1 40.2 -54.7 -36.7 -49.0 10.0 -15.1 17 19 A I T 3< S+ 0 0 109 -4,-1.7 -1,-0.3 -3,-0.2 2,-0.2 0.190 102.7 93.8-101.3 14.1 -49.7 13.7 -14.3 18 20 A S S < S- 0 0 49 -3,-1.9 2,-0.3 -5,-0.2 27,-0.0 -0.610 80.9 -95.4-103.5 165.7 -46.3 14.2 -12.5 19 21 A A - 0 0 55 -2,-0.2 29,-0.1 26,-0.1 3,-0.1 -0.632 33.0-123.7 -86.7 135.8 -43.0 15.5 -13.8 20 22 A D - 0 0 154 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.286 36.9 -95.9 -69.0 159.0 -40.2 13.2 -15.0 21 23 A D - 0 0 29 1,-0.1 -1,-0.1 2,-0.1 24,-0.0 -0.469 44.1-103.5 -75.0 149.6 -36.7 13.6 -13.4 22 24 A S > - 0 0 62 -2,-0.1 4,-2.5 -3,-0.1 5,-0.3 -0.106 49.7 -83.8 -62.4 173.9 -34.2 15.7 -15.2 23 25 A F H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.916 125.0 37.4 -47.6 -64.2 -31.5 13.9 -17.2 24 26 A Y H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.759 116.1 52.8 -65.2 -27.8 -28.9 13.1 -14.5 25 27 A L H > S+ 0 0 7 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 114.3 42.6 -71.0 -46.1 -31.5 12.5 -11.7 26 28 A A H X S+ 0 0 27 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.889 115.4 50.9 -65.0 -41.7 -33.2 9.9 -14.0 27 29 A Q H X S+ 0 0 17 -4,-2.8 4,-3.2 -5,-0.3 5,-0.3 0.911 110.3 47.8 -63.3 -45.9 -29.9 8.5 -15.1 28 30 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.951 116.6 43.7 -59.4 -51.9 -28.6 8.1 -11.5 29 31 A R H < S+ 0 0 51 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.867 117.5 47.3 -61.6 -39.1 -31.8 6.4 -10.4 30 32 A R H >< S+ 0 0 140 -4,-2.6 3,-0.7 -5,-0.2 4,-0.2 0.920 111.7 46.4 -72.1 -46.0 -31.9 4.3 -13.6 31 33 A E H 3< S+ 0 0 83 -4,-3.2 3,-0.3 1,-0.2 -1,-0.2 0.760 118.7 41.0 -70.8 -24.5 -28.3 3.1 -13.6 32 34 A T T >< S+ 0 0 4 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.2 0.334 79.0 105.9-105.2 6.2 -28.3 2.1 -9.9 33 35 A A T < S+ 0 0 65 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.776 79.7 56.3 -55.7 -26.6 -31.7 0.5 -9.8 34 36 A H T 3 S+ 0 0 146 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.810 86.4 92.1 -76.5 -34.5 -30.0 -2.9 -9.7 35 37 A L S X S- 0 0 50 -3,-0.8 3,-1.3 1,-0.1 -3,-0.0 -0.256 88.0 -98.5 -63.1 148.0 -27.8 -2.3 -6.6 36 38 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.314 106.7 37.3 -65.2 150.5 -29.2 -3.3 -3.1 37 39 A G T >> S+ 0 0 26 -3,-0.1 3,-2.6 -4,-0.1 4,-0.5 0.211 73.5 121.8 93.8 -17.4 -30.6 -0.4 -1.1 38 40 A A G X4 + 0 0 12 -3,-1.3 3,-1.1 1,-0.3 -4,-0.1 0.796 68.5 63.5 -48.0 -34.8 -32.2 1.3 -4.1 39 41 A P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 4,-0.0 0.688 91.5 65.9 -65.6 -19.0 -35.7 1.0 -2.4 40 42 A M G <4 S+ 0 0 83 -3,-2.6 -2,-0.2 180,-0.1 3,-0.1 0.730 81.4 100.2 -73.9 -24.9 -34.4 3.2 0.5 41 43 A Q S << S- 0 0 2 -3,-1.1 27,-0.0 -4,-0.5 26,-0.0 -0.283 87.0 -98.9 -63.7 148.7 -34.2 6.2 -1.9 42 44 A I - 0 0 0 1,-0.1 -1,-0.1 2,-0.1 167,-0.1 -0.302 47.6-101.4 -63.0 152.0 -36.9 8.8 -1.9 43 45 A S > - 0 0 0 -41,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.218 30.7-104.9 -70.8 165.9 -39.4 8.4 -4.7 44 46 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.850 121.8 57.6 -61.6 -32.5 -39.3 10.5 -7.8 45 47 A E H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.891 106.5 47.6 -65.1 -40.1 -42.3 12.5 -6.6 46 48 A Q H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.892 109.2 53.8 -69.0 -37.7 -40.5 13.4 -3.4 47 49 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 110.0 47.5 -62.1 -42.6 -37.4 14.5 -5.3 48 50 A Q H X S+ 0 0 81 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.912 114.4 46.1 -63.6 -44.2 -39.5 16.8 -7.5 49 51 A F H X S+ 0 0 50 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.881 111.3 54.0 -65.0 -40.3 -41.2 18.2 -4.4 50 52 A L H X S+ 0 0 3 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.898 109.6 45.9 -61.9 -44.5 -37.8 18.6 -2.6 51 53 A G H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.838 109.9 55.8 -68.4 -31.1 -36.3 20.6 -5.5 52 54 A L H X S+ 0 0 82 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.843 105.9 51.5 -68.5 -33.8 -39.5 22.7 -5.6 53 55 A L H X S+ 0 0 16 -4,-1.7 4,-2.1 2,-0.2 6,-0.4 0.871 105.1 54.7 -71.8 -37.4 -38.9 23.5 -1.9 54 56 A I H X>S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 5,-0.7 0.925 116.0 40.1 -59.6 -45.1 -35.3 24.6 -2.5 55 57 A S H ><5S+ 0 0 71 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.975 116.4 46.2 -67.1 -60.2 -36.6 27.1 -5.1 56 58 A L H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.837 117.6 45.6 -52.5 -37.7 -39.7 28.3 -3.4 57 59 A T H 3<5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.721 100.2-131.6 -82.2 -24.1 -37.8 28.8 -0.1 58 60 A G T <<5 + 0 0 47 -4,-1.2 -3,-0.2 -3,-0.6 -4,-0.1 0.552 41.9 177.2 81.5 8.2 -34.7 30.5 -1.6 59 61 A A < + 0 0 1 -5,-0.7 -1,-0.2 -6,-0.4 3,-0.1 -0.076 22.9 163.1 -49.5 139.6 -32.5 28.1 0.4 60 62 A K + 0 0 87 1,-0.2 25,-3.7 20,-0.1 2,-0.7 0.551 66.3 58.8-126.2 -36.6 -28.8 28.4 -0.0 61 63 A Q E +b 85 0B 73 23,-0.2 75,-3.3 73,-0.1 76,-1.7 -0.877 68.3 174.7-105.4 106.6 -27.5 26.5 3.0 62 64 A V E -bc 86 137B 1 23,-2.9 25,-2.6 -2,-0.7 2,-0.5 -0.880 17.5-161.4-114.7 143.9 -28.8 22.9 3.1 63 65 A L E -bc 87 138B 0 74,-2.1 76,-2.5 -2,-0.4 2,-0.4 -0.961 9.2-168.4-125.6 113.5 -27.9 20.0 5.5 64 66 A E E -bc 88 139B 0 23,-2.7 25,-2.8 -2,-0.5 2,-0.5 -0.868 7.5-171.3-106.1 134.1 -28.6 16.4 4.4 65 67 A I E S+bc 89 140B 0 74,-2.9 76,-2.9 -2,-0.4 25,-0.2 -0.968 74.2 33.7-121.9 109.1 -28.4 13.5 6.8 66 68 A G + 0 0 0 23,-2.4 -1,-0.3 -2,-0.5 24,-0.2 0.695 63.9 167.2 106.0 85.0 -28.7 10.2 5.0 67 69 A V > + 0 0 0 22,-0.5 3,-1.3 -3,-0.1 5,-0.3 0.894 4.3 164.6 -94.0 -51.6 -27.1 10.5 1.5 68 70 A F T 3 S- 0 0 8 1,-0.2 31,-0.4 2,-0.1 -1,-0.1 -0.446 78.3 -10.5 64.0-130.1 -26.7 7.0 0.1 69 71 A R T 3 S- 0 0 18 151,-0.2 -1,-0.2 -2,-0.2 33,-0.2 0.261 102.6-103.9 -85.4 13.9 -26.0 7.2 -3.7 70 72 A G S <> S+ 0 0 0 -3,-1.3 4,-2.5 32,-0.1 5,-0.2 0.475 79.2 130.8 82.7 6.5 -26.7 10.9 -3.9 71 73 A Y H > S+ 0 0 0 149,-0.6 4,-2.1 -4,-0.3 5,-0.1 0.944 78.5 38.8 -56.7 -55.6 -30.2 11.0 -5.5 72 74 A S H > S+ 0 0 0 148,-0.9 4,-1.9 -5,-0.3 5,-0.2 0.880 116.8 51.5 -64.0 -40.1 -32.0 13.3 -3.0 73 75 A A H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.895 110.6 50.0 -63.7 -39.2 -28.9 15.5 -2.7 74 76 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.888 106.6 54.5 -66.1 -40.9 -28.7 15.7 -6.5 75 77 A A H < S+ 0 0 3 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.926 115.8 38.6 -59.0 -46.5 -32.4 16.7 -6.7 76 78 A M H >X S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-0.6 0.923 111.4 57.9 -70.4 -46.1 -31.9 19.6 -4.3 77 79 A A H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.816 97.4 62.3 -54.8 -34.3 -28.5 20.6 -5.7 78 80 A L T 3< S+ 0 0 51 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.616 108.2 43.4 -69.8 -11.1 -29.9 21.1 -9.1 79 81 A Q T <4 S+ 0 0 97 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.450 89.1 113.9-111.8 -4.3 -32.1 23.9 -7.8 80 82 A L S << S- 0 0 10 -3,-0.9 -20,-0.1 -4,-0.6 -25,-0.1 -0.288 72.1-106.1 -68.2 151.5 -29.5 25.6 -5.6 81 83 A P > - 0 0 34 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.176 42.4 -93.6 -68.4 169.6 -28.3 29.2 -6.3 82 84 A P T 3 S+ 0 0 124 0, 0.0 -2,-0.1 0, 0.0 -22,-0.0 0.822 133.9 42.8 -56.5 -26.5 -24.8 29.6 -7.8 83 85 A D T 3 S+ 0 0 83 2,-0.0 2,-0.1 28,-0.0 -23,-0.0 0.179 89.3 132.8-103.0 14.6 -23.7 30.1 -4.2 84 86 A G < - 0 0 2 -3,-2.6 2,-0.3 -7,-0.1 -23,-0.2 -0.397 36.4-165.6 -69.1 145.2 -25.8 27.2 -2.9 85 87 A Q E -b 61 0B 75 -25,-3.7 -23,-2.9 -2,-0.1 2,-0.5 -0.998 12.0-167.1-137.7 135.6 -24.2 24.7 -0.6 86 88 A I E -bd 62 112B 0 25,-2.6 27,-4.0 -2,-0.3 2,-0.8 -0.983 9.4-156.6-123.5 126.0 -25.1 21.2 0.7 87 89 A I E -bd 63 113B 22 -25,-2.6 -23,-2.7 -2,-0.5 2,-0.6 -0.908 20.3-161.5-100.6 111.1 -23.4 19.5 3.6 88 90 A A E -bd 64 114B 0 25,-1.9 27,-4.0 -2,-0.8 2,-0.5 -0.866 4.2-162.5-100.9 120.6 -24.1 15.9 3.0 89 91 A C E +bd 65 115B 1 -25,-2.8 -23,-2.4 -2,-0.6 -22,-0.5 -0.885 22.0 148.3-108.5 122.2 -23.6 13.4 6.0 90 92 A D E - d 0 116B 1 25,-1.7 27,-1.8 -2,-0.5 -2,-0.0 -0.976 39.3-152.3-156.0 141.1 -23.3 9.7 5.5 91 93 A Q S S+ 0 0 107 -2,-0.3 -1,-0.1 25,-0.3 25,-0.1 0.709 76.2 86.8 -79.0 -27.8 -21.6 6.7 7.1 92 94 A D > - 0 0 50 1,-0.1 4,-1.0 25,-0.1 -24,-0.1 -0.690 51.3-173.8 -84.7 119.5 -21.2 4.6 4.0 93 95 A P H > S+ 0 0 63 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.785 82.6 50.8 -80.3 -29.6 -18.1 5.3 1.9 94 96 A N H > S+ 0 0 123 2,-0.2 4,-1.0 3,-0.1 5,-0.1 0.912 113.7 40.0 -76.3 -47.8 -19.0 3.0 -1.0 95 97 A A H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.903 117.4 51.6 -68.0 -39.7 -22.5 4.2 -1.8 96 98 A T H X S+ 0 0 1 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.736 101.6 60.6 -68.6 -24.4 -21.3 7.8 -1.2 97 99 A A H X S+ 0 0 53 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.823 106.2 47.6 -71.6 -31.1 -18.5 7.2 -3.6 98 100 A I H X S+ 0 0 45 -4,-1.0 4,-1.5 -3,-0.5 -2,-0.2 0.828 107.4 56.7 -75.8 -34.1 -21.2 6.5 -6.3 99 101 A A H >X S+ 0 0 0 -4,-1.4 4,-2.0 -31,-0.4 3,-0.5 0.959 106.0 49.8 -60.5 -50.2 -23.0 9.7 -5.1 100 102 A K H 3X S+ 0 0 76 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.859 105.0 58.5 -57.0 -39.8 -19.8 11.7 -5.8 101 103 A K H 3X S+ 0 0 102 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.872 111.9 40.1 -58.1 -41.0 -19.5 10.2 -9.3 102 104 A Y H X>S+ 0 0 5 -4,-2.0 5,-2.4 2,-0.2 6,-0.9 0.948 112.5 41.7 -67.9 -47.5 -22.8 14.9 -8.6 104 106 A Q H 3<5S+ 0 0 121 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.852 111.4 58.8 -65.5 -33.6 -19.6 15.8 -10.5 105 107 A K H 3<5S+ 0 0 80 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.740 111.2 40.3 -66.5 -25.7 -21.2 14.2 -13.6 106 108 A A H <<5S- 0 0 21 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.447 115.6-116.6-101.7 -5.0 -24.1 16.7 -13.3 107 109 A G T <5S+ 0 0 54 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.717 90.7 100.9 77.6 23.3 -21.9 19.6 -12.4 108 110 A V > < + 0 0 9 -5,-2.4 3,-2.2 -6,-0.2 4,-0.2 0.358 43.2 102.1-116.8 1.9 -23.2 20.2 -8.9 109 111 A A G > S+ 0 0 18 -6,-0.9 3,-0.6 1,-0.3 -5,-0.2 0.671 75.5 66.6 -59.0 -16.4 -20.5 18.5 -7.0 110 112 A E G 3 S+ 0 0 164 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.766 100.4 48.1 -74.2 -27.6 -19.2 22.0 -6.3 111 113 A K G < S+ 0 0 44 -3,-2.2 -25,-2.6 -26,-0.1 2,-0.4 0.291 101.5 76.0 -97.0 7.7 -22.3 22.7 -4.2 112 114 A I E < -d 86 0B 16 -3,-0.6 2,-0.7 -4,-0.2 -25,-0.2 -0.974 55.4-168.3-127.5 123.1 -22.1 19.5 -2.1 113 115 A S E -d 87 0B 41 -27,-4.0 -25,-1.9 -2,-0.4 2,-0.3 -0.889 17.4-150.8-111.3 101.4 -19.7 18.9 0.7 114 116 A L E -d 88 0B 37 -2,-0.7 2,-0.6 -27,-0.2 -25,-0.2 -0.544 7.3-163.8 -75.3 130.8 -19.8 15.2 1.7 115 117 A R E -d 89 0B 86 -27,-4.0 -25,-1.7 -2,-0.3 2,-0.3 -0.901 11.9-156.8-116.8 97.9 -19.0 14.4 5.4 116 118 A L E +d 90 0B 90 -2,-0.6 -25,-0.3 -27,-0.2 -27,-0.1 -0.599 51.6 53.2 -78.6 132.7 -18.2 10.7 5.6 117 119 A G S S- 0 0 19 -27,-1.8 -25,-0.1 -2,-0.3 5,-0.1 -0.607 99.5 -22.4 130.3 168.6 -18.6 9.1 9.0 118 120 A P >> - 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