==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-SEP-04 1XDZ . COMPND 2 MOLECULE: METHYLTRANSFERASE GIDB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ZHANG,R.WU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 2 1 0 2 1 0 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 A N 0 0 99 0, 0.0 2,-0.6 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 26.7 38.7 37.6 -1.8 2 1 A M - 0 0 5 47,-1.2 50,-0.2 46,-0.1 51,-0.2 -0.892 360.0-156.2-103.8 114.9 38.1 34.1 -0.4 3 2 A N > - 0 0 69 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.339 36.1 -95.8 -79.9 172.2 39.2 31.2 -2.6 4 3 A I H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.891 124.6 49.5 -58.7 -41.4 37.7 27.7 -2.2 5 4 A E H > S+ 0 0 124 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.882 110.9 48.7 -65.4 -39.7 40.6 26.5 0.0 6 5 A E H > S+ 0 0 68 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.912 114.0 48.0 -65.5 -41.5 40.3 29.5 2.3 7 6 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.960 116.1 42.8 -58.3 -55.3 36.5 28.9 2.5 8 7 A T H X S+ 0 0 42 -4,-3.0 4,-2.1 1,-0.2 10,-0.2 0.923 119.2 42.4 -60.1 -48.5 36.9 25.2 3.2 9 8 A S H X S+ 0 0 36 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.864 110.7 56.6 -71.3 -35.6 39.8 25.6 5.7 10 9 A G H X S+ 0 0 8 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.917 111.3 43.2 -59.6 -44.1 38.1 28.6 7.4 11 10 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.7 -5,-0.2 3,-1.1 0.900 109.3 57.2 -69.6 -40.3 35.0 26.5 8.1 12 11 A A H ><5S+ 0 0 50 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.896 101.8 56.7 -55.4 -42.7 37.0 23.5 9.2 13 12 A E H 3<5S+ 0 0 148 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.715 108.2 48.4 -58.7 -26.9 38.7 25.6 11.9 14 13 A K T <<5S- 0 0 102 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.260 129.2 -95.1-101.3 8.5 35.2 26.4 13.2 15 14 A G T < 5S+ 0 0 64 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.586 88.6 120.0 92.5 12.9 34.1 22.7 13.2 16 15 A I < - 0 0 15 -5,-2.7 2,-0.6 -6,-0.1 -2,-0.2 -0.917 38.3-174.3-115.4 106.8 32.4 22.6 9.9 17 16 A S - 0 0 101 -2,-0.6 2,-0.3 -5,-0.1 -8,-0.1 -0.887 16.6-143.5-104.4 112.2 33.9 20.0 7.4 18 17 A L - 0 0 23 -2,-0.6 73,-0.1 -10,-0.2 -6,-0.0 -0.557 5.8-142.9 -82.5 135.4 32.4 20.1 4.0 19 18 A S > - 0 0 44 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.386 34.7-100.6 -80.3 164.8 31.8 17.0 1.9 20 19 A P H > S+ 0 0 109 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.887 126.1 54.4 -53.3 -37.1 32.3 17.0 -1.9 21 20 A R H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.926 107.1 48.5 -61.1 -46.7 28.5 17.2 -2.2 22 21 A Q H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 111.2 50.5 -63.3 -41.0 28.3 20.3 0.0 23 22 A L H X S+ 0 0 41 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.913 110.5 48.9 -64.0 -41.7 31.1 22.0 -2.0 24 23 A E H X S+ 0 0 118 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.898 106.1 58.1 -65.8 -34.8 29.3 21.2 -5.3 25 24 A Q H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.904 106.6 48.1 -60.1 -41.8 26.1 22.7 -3.7 26 25 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.862 109.5 52.7 -68.0 -32.9 28.0 26.0 -3.1 27 26 A E H X S+ 0 0 47 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.923 112.6 44.8 -65.3 -42.7 29.3 26.0 -6.7 28 27 A L H X S+ 0 0 65 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.887 110.2 54.5 -67.1 -40.8 25.8 25.5 -8.0 29 28 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.943 110.2 47.8 -56.2 -49.2 24.4 28.2 -5.7 30 29 A Y H X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.955 112.3 48.4 -57.2 -54.4 27.0 30.6 -7.0 31 30 A D H X S+ 0 0 84 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 115.5 43.3 -51.2 -51.0 26.2 29.8 -10.7 32 31 A M H X S+ 0 0 29 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.879 111.5 54.1 -66.8 -38.8 22.4 30.1 -10.2 33 32 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.950 113.0 41.9 -60.8 -51.0 22.7 33.3 -8.1 34 33 A V H X S+ 0 0 31 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.879 115.4 50.8 -66.9 -36.8 24.7 35.1 -10.7 35 34 A E H >X S+ 0 0 108 -4,-2.1 3,-1.2 -5,-0.3 4,-0.6 0.945 114.5 41.8 -64.5 -49.0 22.6 33.8 -13.6 36 35 A W H >X S+ 0 0 33 -4,-2.7 4,-2.8 1,-0.3 3,-0.5 0.768 102.8 69.6 -71.7 -23.5 19.3 34.8 -12.1 37 36 A N H 3< S+ 0 0 38 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.673 92.6 59.7 -67.0 -18.0 20.8 38.2 -11.0 38 37 A E H << S+ 0 0 162 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.835 111.9 39.3 -71.6 -37.7 20.9 39.1 -14.7 39 38 A K H << S+ 0 0 137 -4,-0.6 2,-0.3 -3,-0.5 -2,-0.2 0.918 131.4 6.2 -76.2 -49.0 17.1 38.7 -14.7 40 39 A I S < S- 0 0 35 -4,-2.8 2,-0.6 65,-0.1 3,-0.2 -0.915 86.0 -88.1-136.3 159.6 16.3 40.2 -11.3 41 40 A N + 0 0 128 -2,-0.3 3,-0.1 1,-0.2 -4,-0.1 -0.592 63.7 137.5 -69.6 110.9 18.1 42.1 -8.4 42 41 A L + 0 0 17 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.576 64.6 14.9-125.0 -31.8 19.4 39.3 -6.1 43 42 A T - 0 0 11 -3,-0.2 -1,-0.4 -10,-0.1 8,-0.0 -0.999 44.1-151.9-152.2 144.0 22.9 40.4 -5.1 44 43 A S S S+ 0 0 119 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.565 91.4 63.9 -83.8 -12.0 25.1 43.5 -5.2 45 44 A I + 0 0 40 1,-0.1 -1,-0.1 5,-0.0 -3,-0.0 -0.957 47.7 157.0-123.4 126.3 28.1 41.1 -5.4 46 45 A T + 0 0 53 -2,-0.4 2,-0.2 -12,-0.0 -1,-0.1 0.554 39.5 108.6-127.0 -15.4 28.8 38.8 -8.3 47 46 A E S > S- 0 0 124 1,-0.1 4,-2.4 2,-0.0 3,-0.3 -0.508 71.7-128.7 -68.2 131.9 32.6 38.1 -8.3 48 47 A K H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 104.1 45.6 -53.2 -52.2 32.9 34.4 -7.1 49 48 A K H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -47,-1.2 0.831 113.4 52.5 -64.8 -31.9 35.5 34.9 -4.3 50 49 A E H > S+ 0 0 64 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.902 109.2 48.4 -67.1 -44.1 33.4 37.9 -3.1 51 50 A V H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-2.1 0.903 109.6 52.8 -63.0 -43.0 30.2 35.8 -3.0 52 51 A Y H <>S+ 0 0 1 -4,-2.6 5,-3.4 -5,-0.2 6,-0.2 0.917 119.3 35.4 -58.5 -42.0 32.0 33.0 -1.1 53 52 A L H <>S+ 0 0 2 -4,-1.8 5,-1.8 3,-0.2 -2,-0.2 0.962 126.0 34.9 -74.0 -55.0 33.2 35.4 1.5 54 53 A K H <5S+ 0 0 53 -4,-3.1 -3,-0.2 3,-0.2 -2,-0.2 0.655 133.4 19.9 -85.1 -19.0 30.3 37.9 1.8 55 54 A H T X5S+ 0 0 22 -4,-2.1 4,-1.6 -5,-0.3 -3,-0.2 0.747 130.1 32.7-112.0 -58.8 27.3 35.6 1.3 56 55 A F H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 4,-0.2 0.902 108.7 53.7 -65.3 -44.2 25.9 33.3 6.4 60 59 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 4,-0.3 0.714 86.5 83.3 -70.0 -20.7 27.5 30.3 7.9 61 60 A T G >< S+ 0 0 3 -4,-1.5 3,-2.0 1,-0.3 4,-0.4 0.796 77.2 70.1 -52.8 -31.2 29.1 32.4 10.7 62 61 A A G X> S+ 0 0 0 -3,-1.3 3,-1.8 -4,-0.3 4,-1.5 0.890 92.4 58.6 -49.8 -40.1 25.8 32.0 12.6 63 62 A A G <4 S+ 0 0 16 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.578 92.5 67.9 -70.4 -11.3 26.7 28.4 13.1 64 63 A F G <4 S+ 0 0 39 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.683 113.8 28.0 -75.6 -20.8 29.8 29.4 14.9 65 64 A Y T <4 S+ 0 0 76 -3,-1.8 2,-0.4 -4,-0.4 -2,-0.2 0.547 120.9 48.4-119.6 -19.1 27.7 30.8 17.8 66 65 A V S < S- 0 0 12 -4,-1.5 2,-0.9 105,-0.0 -1,-0.2 -0.987 79.9-126.0-126.9 139.4 24.6 28.7 17.7 67 66 A D > - 0 0 86 -2,-0.4 3,-1.2 1,-0.2 4,-0.1 -0.752 22.4-176.3 -90.1 101.8 24.5 24.9 17.6 68 67 A F G > S+ 0 0 1 -2,-0.9 3,-0.9 1,-0.2 -1,-0.2 0.603 77.4 72.4 -74.6 -12.1 22.3 23.9 14.6 69 68 A N G 3 S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.740 94.0 56.2 -69.2 -22.3 22.7 20.2 15.5 70 69 A Q G < S+ 0 0 143 -3,-1.2 2,-0.3 2,-0.0 -1,-0.2 0.387 104.5 61.2 -90.9 -2.0 20.5 20.8 18.5 71 70 A V < - 0 0 22 -3,-0.9 3,-0.1 1,-0.1 23,-0.0 -0.839 52.4-167.7-126.0 169.1 17.5 22.2 16.5 72 71 A N + 0 0 96 -2,-0.3 24,-3.1 1,-0.2 2,-0.4 0.706 67.3 51.2-122.2 -35.7 15.2 21.1 13.7 73 72 A T E +a 96 0A 38 22,-0.2 71,-1.7 24,-0.0 70,-0.5 -0.935 52.7 179.8-122.6 134.4 13.3 24.0 12.3 74 73 A I E -ab 97 144A 2 22,-2.8 24,-2.5 -2,-0.4 2,-0.4 -0.972 9.6-164.6-128.2 141.2 14.4 27.4 10.9 75 74 A C E -ab 98 145A 0 69,-2.0 71,-2.6 -2,-0.4 2,-0.5 -0.997 10.1-159.2-122.8 133.9 12.5 30.3 9.5 76 75 A D E -ab 99 146A 0 22,-2.8 24,-2.2 -2,-0.4 2,-1.1 -0.949 11.8-160.4-115.7 123.5 14.4 33.0 7.6 77 76 A V E +a 100 0A 18 69,-2.3 71,-0.2 -2,-0.5 24,-0.1 -0.814 45.8 176.7 -98.8 88.9 12.9 36.4 7.1 78 77 A G - 0 0 20 -2,-1.1 71,-0.1 22,-1.0 69,-0.0 -0.125 54.5-115.7-102.0-177.8 15.2 37.1 4.1 79 78 A A S S- 0 0 61 4,-0.5 22,-0.1 69,-0.1 -1,-0.0 0.233 70.0-100.9 -95.7 7.9 16.4 39.5 1.3 80 79 A G S S+ 0 0 0 20,-0.2 30,-0.2 3,-0.1 29,-0.1 0.348 106.8 88.1 95.0 -3.3 15.2 36.8 -1.2 81 80 A A S S- 0 0 4 2,-0.2 -39,-0.0 -39,-0.1 -48,-0.0 0.320 104.1-103.7-110.9 5.6 18.6 35.2 -2.2 82 81 A G > + 0 0 1 1,-0.3 4,-3.2 4,-0.1 -4,-0.0 0.493 57.4 179.4 90.8 8.8 18.5 32.6 0.6 83 82 A F T 4 - 0 0 8 1,-0.3 -4,-0.5 2,-0.2 65,-0.5 -0.806 59.1 -4.0 -98.1 132.7 21.0 34.2 3.1 84 83 A P T > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 -0.993 127.5 55.3 -99.0 -2.2 21.8 33.0 5.7 85 84 A S H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.807 103.3 53.6 -67.3 -31.8 19.5 30.0 6.0 86 85 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.945 109.2 46.3 -73.6 -45.1 20.4 28.2 2.7 87 86 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.910 116.0 49.2 -55.7 -38.9 24.2 28.1 3.3 88 87 A I H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.939 109.2 51.5 -64.4 -44.3 23.3 26.9 6.9 89 88 A K H < S+ 0 0 4 -4,-2.9 6,-0.2 2,-0.2 -1,-0.2 0.882 107.0 53.2 -59.4 -39.7 21.0 24.3 5.4 90 89 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.922 114.9 41.7 -61.2 -42.7 23.8 23.1 3.1 91 90 A C H < S+ 0 0 13 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.757 127.6 32.1 -72.7 -28.8 26.1 22.7 6.2 92 91 A F >< + 0 0 22 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.2 -0.671 69.9 175.0-131.2 70.6 23.3 21.2 8.3 93 92 A P T 3 + 0 0 82 0, 0.0 27,-0.2 0, 0.0 -1,-0.1 0.594 69.2 74.1 -66.4 -9.0 21.1 19.2 6.0 94 93 A H T 3 S+ 0 0 67 2,-0.1 -5,-0.1 -23,-0.0 -25,-0.0 0.698 77.2 108.5 -65.4 -20.4 18.8 17.8 8.8 95 94 A L < - 0 0 0 -3,-2.1 2,-0.6 -6,-0.2 -22,-0.2 -0.315 66.4-141.1 -68.1 141.7 17.2 21.3 9.1 96 95 A H E -a 73 0A 81 -24,-3.1 -22,-2.8 26,-0.0 2,-0.5 -0.909 30.3-163.4 -94.1 117.4 13.7 22.0 8.0 97 96 A V E -ac 74 122A 2 24,-2.1 26,-2.7 -2,-0.6 2,-0.4 -0.913 17.5-176.5-115.4 130.6 14.0 25.5 6.5 98 97 A T E -ac 75 123A 12 -24,-2.5 -22,-2.8 -2,-0.5 2,-0.4 -0.970 5.9-168.4-116.8 133.7 11.2 28.0 5.7 99 98 A I E -ac 76 124A 1 24,-2.3 26,-2.5 -2,-0.4 2,-0.4 -0.998 4.5-160.1-120.7 128.2 12.0 31.3 4.0 100 99 A V E +ac 77 125A 3 -24,-2.2 -22,-1.0 -2,-0.4 2,-0.3 -0.905 18.0 168.6-102.5 134.0 9.4 34.1 3.8 101 100 A D E - c 0 126A 5 24,-2.1 26,-2.1 -2,-0.4 -22,-0.1 -0.996 35.6-141.2-147.1 145.2 9.8 36.8 1.1 102 101 A S S S+ 0 0 55 -2,-0.3 2,-0.6 24,-0.2 26,-0.1 0.542 83.8 74.5 -83.6 -10.5 7.5 39.6 -0.2 103 102 A L >> - 0 0 86 1,-0.1 4,-2.0 24,-0.1 3,-0.8 -0.914 63.2-158.4-110.3 116.4 8.6 39.3 -3.9 104 103 A N H 3> S+ 0 0 84 -2,-0.6 4,-2.6 1,-0.2 -1,-0.1 0.812 93.0 62.1 -61.2 -29.6 7.2 36.3 -5.8 105 104 A K H 3> S+ 0 0 147 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 106.2 46.2 -63.2 -35.9 10.0 36.6 -8.4 106 105 A R H <> S+ 0 0 44 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.893 108.6 55.0 -73.5 -38.7 12.5 35.9 -5.6 107 106 A I H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 106.2 53.5 -55.9 -43.5 10.4 33.0 -4.3 108 107 A T H X S+ 0 0 42 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.930 107.9 49.3 -57.6 -47.5 10.6 31.6 -7.8 109 108 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.940 111.2 49.8 -53.7 -51.4 14.5 31.8 -7.7 110 109 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.901 109.5 51.0 -59.2 -42.8 14.5 30.1 -4.3 111 110 A E H X S+ 0 0 86 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.939 114.0 43.5 -57.6 -47.0 12.3 27.2 -5.5 112 111 A K H X S+ 0 0 77 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.890 114.2 51.4 -66.9 -40.9 14.5 26.6 -8.5 113 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.940 109.4 49.2 -60.2 -49.4 17.6 26.9 -6.4 114 113 A S H X>S+ 0 0 7 -4,-2.9 5,-2.4 1,-0.2 4,-0.6 0.882 111.8 49.5 -59.4 -40.2 16.4 24.4 -3.9 115 114 A E H ><5S+ 0 0 153 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.926 111.9 47.3 -65.1 -45.5 15.5 21.9 -6.6 116 115 A A H 3<5S+ 0 0 42 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 113.8 48.2 -63.0 -39.1 18.9 22.2 -8.3 117 116 A L H 3<5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.568 108.2-129.0 -79.1 -9.5 20.6 21.8 -5.0 118 117 A Q T <<5 + 0 0 126 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.873 43.1 174.8 60.1 41.5 18.4 18.8 -4.2 119 118 A L < - 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