==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-JUL-07 2V5U . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR M.MARTINEZ-JULVEZ,B.HERGUEDAS,S.FRAGO,A.SERRANO,R.MOLINA, . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.4 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 0 0 0 0 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 6 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 6 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 . 2 2 0 0 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 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 0 150 0, 0.0 46,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -48.0 -8.8 -10.8 0.4 2 4 A I E -ab 29 47A 0 26,-2.5 28,-2.6 44,-0.1 2,-0.6 -0.939 360.0-159.4-115.2 130.1 -10.4 -8.4 -2.2 3 5 A G E -ab 30 48A 0 44,-1.9 46,-2.4 -2,-0.4 2,-0.7 -0.919 7.3-159.8-106.1 119.2 -13.5 -6.1 -1.5 4 6 A L E -ab 31 49A 0 26,-3.2 28,-2.1 -2,-0.6 2,-0.6 -0.911 6.3-166.2 -97.8 113.1 -15.2 -5.1 -4.7 5 7 A F E +ab 32 50A 0 44,-2.6 46,-2.8 -2,-0.7 2,-0.3 -0.904 16.0 174.1-105.0 112.1 -17.4 -2.0 -3.9 6 8 A Y E -ab 33 51A 15 26,-2.3 28,-3.4 -2,-0.6 2,-0.4 -0.865 21.7-160.5-120.9 144.8 -19.9 -1.3 -6.7 7 9 A G - 0 0 0 44,-1.4 2,-0.4 -2,-0.3 6,-0.1 -0.952 15.4-177.4-115.9 153.9 -22.8 1.2 -7.4 8 10 A T - 0 0 22 -2,-0.4 55,-0.1 1,-0.1 27,-0.0 -0.990 24.2-179.6-148.1 135.8 -25.5 0.6 -9.9 9 11 A Q S S+ 0 0 105 -2,-0.4 -1,-0.1 53,-0.1 46,-0.0 0.831 95.1 15.4 -92.0 -51.4 -28.5 2.5 -11.3 10 12 A T S S- 0 0 88 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.097 111.4-100.3-116.0 16.0 -29.9 0.0 -13.9 11 13 A G S > S+ 0 0 26 1,-0.0 4,-1.8 4,-0.0 5,-0.1 0.201 90.0 110.2 95.6 -11.7 -28.0 -3.2 -12.9 12 14 A K H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.873 79.3 45.8 -69.6 -41.1 -25.2 -3.4 -15.4 13 15 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 114.2 53.2 -67.3 -37.0 -22.1 -2.6 -13.2 14 16 A E H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 107.1 48.5 -62.6 -40.9 -23.6 -5.1 -10.7 15 17 A S H X S+ 0 0 56 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.898 113.0 49.6 -67.6 -34.8 -23.9 -7.8 -13.3 16 18 A V H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.871 105.5 56.6 -71.8 -39.1 -20.3 -7.1 -14.3 17 19 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.913 105.6 52.5 -58.2 -48.0 -19.1 -7.2 -10.6 18 20 A E H X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.853 108.3 48.8 -53.7 -41.5 -20.6 -10.7 -10.4 19 21 A I H X S+ 0 0 56 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.831 113.0 49.6 -63.7 -45.2 -18.6 -11.8 -13.5 20 22 A I H >X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 3,-0.7 0.977 109.9 49.2 -56.5 -55.2 -15.5 -10.3 -11.9 21 23 A R H 3X S+ 0 0 61 -4,-3.4 4,-1.5 1,-0.3 8,-0.3 0.898 112.1 48.7 -48.7 -45.8 -16.0 -12.1 -8.6 22 24 A D H 3< S+ 0 0 99 -4,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.722 107.6 55.6 -74.4 -26.3 -16.5 -15.3 -10.4 23 25 A E H << S+ 0 0 78 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.811 116.5 35.6 -70.4 -40.3 -13.3 -14.8 -12.5 24 26 A F H < S- 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.778 129.2 -86.6 -73.6 -26.9 -11.2 -14.4 -9.4 25 27 A G X - 0 0 13 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 -0.192 22.9-119.0 110.8 128.3 -13.0 -16.9 -7.2 26 28 A N T 4 S+ 0 0 111 -4,-0.2 5,-0.1 2,-0.2 -4,-0.1 0.640 119.1 59.2 -80.4 -14.2 -16.1 -16.0 -5.1 27 29 A D T 4 S+ 0 0 133 -6,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.793 108.7 43.0 -69.5 -37.5 -13.8 -17.0 -2.2 28 30 A V T 4 S+ 0 0 35 -7,-0.2 -26,-2.5 1,-0.1 2,-0.5 0.886 113.0 55.2 -76.8 -40.9 -11.2 -14.3 -3.1 29 31 A V E < -a 2 0A 2 -4,-1.7 2,-0.5 -8,-0.3 -26,-0.2 -0.866 59.8-164.7-109.2 124.9 -13.7 -11.4 -3.8 30 32 A T E -a 3 0A 60 -28,-2.6 -26,-3.2 -2,-0.5 2,-0.3 -0.922 17.7-143.3 -99.6 123.8 -16.4 -10.0 -1.6 31 33 A L E -a 4 0A 37 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.626 17.1-176.5 -85.1 141.8 -19.1 -7.9 -3.3 32 34 A H E -a 5 0A 45 -28,-2.1 -26,-2.3 -2,-0.3 2,-0.6 -0.942 20.6-144.0-139.7 118.4 -20.5 -4.8 -1.6 33 35 A D E > -a 6 0A 24 -2,-0.4 3,-2.5 -28,-0.2 4,-0.4 -0.692 17.6-140.4 -76.0 118.8 -23.3 -2.7 -3.1 34 36 A V T 3 S+ 0 0 6 -28,-3.4 3,-0.3 -2,-0.6 -27,-0.2 0.627 97.3 72.5 -68.5 -7.4 -22.3 0.8 -2.0 35 37 A S T 3 S+ 0 0 63 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.732 108.3 35.0 -62.7 -22.6 -26.1 1.6 -1.4 36 38 A Q S < S+ 0 0 155 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.377 105.3 107.8-110.8 4.6 -25.8 -0.7 1.6 37 39 A A - 0 0 18 -4,-0.4 2,-0.4 -3,-0.3 -3,-0.0 -0.475 57.5-144.7 -96.9 153.7 -22.2 0.3 2.5 38 40 A E > - 0 0 121 -2,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.848 27.6-125.9 -99.6 142.8 -20.4 2.3 5.2 39 41 A V G > S+ 0 0 4 -2,-0.4 3,-0.9 1,-0.3 4,-0.2 0.794 112.0 61.8 -59.3 -26.0 -17.4 4.2 4.0 40 42 A T G > S+ 0 0 74 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.659 83.7 77.8 -80.3 -12.3 -15.5 2.5 6.9 41 43 A D G X S+ 0 0 42 -3,-1.5 3,-1.9 1,-0.2 -1,-0.2 0.833 82.5 66.8 -56.4 -33.5 -16.2 -0.9 5.2 42 44 A L G X S+ 0 0 0 -3,-0.9 3,-1.0 -4,-0.5 -1,-0.2 0.716 87.1 69.7 -59.8 -24.0 -13.4 0.0 2.7 43 45 A N G < S+ 0 0 74 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.601 82.4 75.5 -67.1 -13.1 -10.9 -0.3 5.7 44 46 A D G < S+ 0 0 113 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.2 0.467 92.5 54.5 -83.2 1.7 -11.5 -4.0 5.7 45 47 A Y < - 0 0 31 -3,-1.0 -43,-0.1 1,-0.1 3,-0.1 -0.986 51.0-163.3-141.0 138.8 -9.4 -4.8 2.7 46 48 A Q S S+ 0 0 119 -45,-0.4 34,-2.4 -2,-0.4 2,-0.5 0.662 93.0 52.6 -92.1 -17.3 -5.9 -4.1 1.5 47 49 A Y E S-bc 2 80A 56 -46,-0.8 -44,-1.9 32,-0.2 2,-0.3 -0.990 74.9-178.3-118.2 116.0 -7.0 -4.9 -2.1 48 50 A L E -bc 3 81A 0 32,-2.6 34,-2.4 -2,-0.5 2,-0.5 -0.894 19.2-161.6-116.6 143.5 -10.0 -2.9 -3.3 49 51 A I E -bc 4 82A 0 -46,-2.4 -44,-2.6 -2,-0.3 2,-0.6 -0.999 15.9-156.6-119.7 122.3 -11.9 -3.0 -6.7 50 52 A I E -bc 5 83A 0 32,-4.2 34,-2.9 -2,-0.5 2,-0.5 -0.925 8.8-170.5-107.5 114.3 -14.0 0.1 -7.2 51 53 A G E +bc 6 84A 0 -46,-2.8 -44,-1.4 -2,-0.6 34,-0.2 -0.935 17.5 151.6-109.3 126.0 -17.0 -0.2 -9.7 52 54 A C - 0 0 0 32,-1.9 48,-0.4 -2,-0.5 2,-0.2 -0.913 30.3-147.8-153.3 118.8 -19.0 2.9 -10.8 53 55 A P - 0 0 6 0, 0.0 8,-0.9 0, 0.0 2,-0.5 -0.554 28.9-116.2 -76.6 155.2 -21.0 3.8 -13.9 54 56 A T E -F 60 0B 25 32,-1.0 2,-0.3 -2,-0.2 6,-0.2 -0.835 38.0-168.5 -91.2 131.8 -21.1 7.4 -15.0 55 57 A W E > +F 59 0B 78 4,-2.7 4,-2.6 -2,-0.5 32,-0.0 -0.807 52.5 8.5-120.5 156.0 -24.5 8.9 -14.9 56 58 A N T 4 S- 0 0 120 -2,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.783 129.0 -47.6 47.1 43.6 -26.3 12.1 -16.1 57 59 A I T 4 S- 0 0 109 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.995 128.4 -11.4 60.9 82.9 -23.4 13.3 -18.3 58 60 A G T 4 S+ 0 0 8 37,-0.3 2,-0.3 1,-0.3 -2,-0.2 0.506 100.7 124.9 88.3 5.9 -20.2 13.0 -16.1 59 61 A E E < -F 55 0B 92 -4,-2.6 -4,-2.7 1,-0.1 -1,-0.3 -0.665 64.5-104.7-100.7 154.2 -21.7 12.4 -12.7 60 62 A L E -F 54 0B 12 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.474 49.8 -92.6 -66.2 146.1 -21.0 9.6 -10.2 61 63 A Q >> - 0 0 0 -8,-0.9 4,-1.9 -2,-0.1 3,-0.6 -0.352 50.2-104.9 -54.7 147.9 -23.7 7.0 -9.9 62 64 A S H 3> S+ 0 0 68 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.777 116.4 48.2 -62.1 -39.0 -26.0 8.3 -7.0 63 65 A D H 3> S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.860 112.6 49.1 -63.9 -41.8 -24.9 5.8 -4.2 64 66 A W H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.862 105.9 58.9 -65.2 -36.3 -21.2 6.4 -5.0 65 67 A E H X S+ 0 0 93 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.908 105.2 49.7 -53.7 -47.0 -22.0 10.2 -4.8 66 68 A G H < S+ 0 0 45 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.882 114.7 43.0 -58.1 -46.0 -23.2 9.7 -1.2 67 69 A L H >< S+ 0 0 11 -4,-1.5 3,-1.5 1,-0.2 4,-0.4 0.719 101.5 71.9 -68.9 -29.7 -20.1 7.8 -0.2 68 70 A Y H >< S+ 0 0 74 -4,-2.1 3,-1.0 1,-0.3 4,-0.4 0.835 87.3 61.2 -60.4 -36.3 -17.8 10.2 -2.0 69 71 A S T 3< S+ 0 0 94 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.574 110.3 42.7 -68.6 -12.1 -18.3 13.1 0.5 70 72 A E T X S+ 0 0 76 -3,-1.5 3,-2.9 2,-0.1 -1,-0.2 0.381 75.7 101.5-115.7 -0.7 -16.8 10.8 3.2 71 73 A L G X S+ 0 0 0 -3,-1.0 3,-1.8 -4,-0.4 -2,-0.1 0.835 75.3 73.6 -52.1 -25.5 -13.9 9.3 1.4 72 74 A D G 3 S+ 0 0 83 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.724 85.8 60.4 -56.0 -26.5 -12.1 11.9 3.4 73 75 A D G < S+ 0 0 120 -3,-2.9 2,-0.4 2,-0.0 -1,-0.3 0.299 96.0 79.4 -85.1 2.3 -12.6 9.9 6.7 74 76 A V < - 0 0 2 -3,-1.8 2,-0.6 -4,-0.2 -34,-0.1 -0.876 67.9-142.9-123.5 147.5 -10.6 6.9 5.3 75 77 A D + 0 0 91 -2,-0.4 36,-0.2 1,-0.1 35,-0.0 -0.964 16.6 177.7-111.3 121.1 -7.0 6.2 5.0 76 78 A F > + 0 0 0 34,-2.4 3,-2.4 -2,-0.6 37,-0.3 0.342 34.5 131.0-102.6 -3.1 -6.1 4.3 1.8 77 79 A N T 3 S+ 0 0 101 33,-0.5 35,-0.2 1,-0.3 3,-0.1 -0.290 75.2 21.2 -57.5 141.9 -2.3 4.2 2.3 78 80 A G T 3 S+ 0 0 65 33,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.347 100.3 114.3 75.8 -3.2 -1.0 0.8 1.9 79 81 A K < - 0 0 10 -3,-2.4 34,-2.5 32,-0.1 2,-0.4 -0.751 58.9-140.7 -96.2 146.6 -4.0 -0.4 -0.2 80 82 A L E -cd 47 113A 43 -34,-2.4 -32,-2.6 -2,-0.3 2,-0.4 -0.866 23.9-161.8-101.9 133.5 -3.9 -1.4 -3.9 81 83 A V E -cd 48 114A 0 32,-3.2 34,-2.6 -2,-0.4 2,-0.3 -0.989 12.9-173.6-132.0 123.5 -7.0 -0.1 -5.8 82 84 A A E -c 49 0A 0 -34,-2.4 -32,-4.2 -2,-0.4 2,-0.4 -0.840 12.7-153.8-109.4 149.8 -8.4 -1.2 -9.1 83 85 A Y E +c 50 0A 0 32,-0.4 56,-1.5 54,-0.4 2,-0.4 -0.937 13.1 177.6-126.9 142.7 -11.4 0.6 -10.9 84 86 A F E -ce 51 139A 0 -34,-2.9 -32,-1.9 -2,-0.4 2,-0.4 -0.997 5.1-176.7-140.6 151.4 -14.0 -0.5 -13.4 85 87 A G E - e 0 140A 0 54,-3.2 56,-2.5 -2,-0.4 2,-0.4 -0.963 23.0-141.3-141.7 152.0 -16.9 1.2 -15.0 86 88 A T E + e 0 141A 11 -2,-0.4 -32,-1.0 54,-0.2 2,-0.3 -0.886 41.1 148.0 -96.9 147.0 -19.7 0.6 -17.2 87 89 A G - 0 0 11 54,-1.6 57,-0.6 -2,-0.4 2,-0.5 -0.947 46.9-111.6-163.1 177.6 -20.5 3.5 -19.7 88 90 A D > - 0 0 37 -2,-0.3 4,-1.8 54,-0.1 7,-0.2 -0.913 22.4-179.2-130.7 95.9 -21.8 4.5 -23.1 89 91 A Q T 4 S+ 0 0 6 -2,-0.5 37,-0.2 2,-0.2 7,-0.1 0.675 83.1 51.1 -69.4 -23.2 -19.1 5.9 -25.4 90 92 A A T >4 S+ 0 0 67 2,-0.1 3,-0.5 1,-0.1 -1,-0.2 0.910 116.9 38.4 -81.9 -40.7 -21.5 6.5 -28.3 91 93 A G T 34 S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.763 132.0 26.6 -71.9 -29.5 -24.0 8.5 -26.3 92 94 A Y T >< + 0 0 113 -4,-1.8 3,-1.7 1,-0.1 -1,-0.2 -0.424 65.0 155.7-138.9 56.4 -21.4 10.3 -24.1 93 95 A A T < S+ 0 0 23 -3,-0.5 33,-2.9 1,-0.3 34,-2.4 0.647 77.3 52.5 -64.4 -19.2 -18.3 10.5 -26.1 94 96 A D T 3 S+ 0 0 98 32,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.515 120.8 28.3 -90.4 -10.7 -17.2 13.6 -24.1 95 97 A N S X S+ 0 0 43 -3,-1.7 3,-1.6 -7,-0.2 2,-0.5 -0.077 77.9 159.3-142.4 35.0 -17.6 12.1 -20.6 96 98 A F T 3 S- 0 0 1 31,-1.5 34,-0.4 1,-0.3 -9,-0.1 -0.486 78.5 -9.5 -74.1 119.2 -17.0 8.4 -21.2 97 99 A Q T 3> S+ 0 0 1 -2,-0.5 4,-1.3 -11,-0.1 -1,-0.3 0.715 85.0 147.3 70.1 21.3 -16.1 6.6 -17.9 98 100 A D H <> + 0 0 3 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 0.882 61.1 65.7 -51.3 -43.6 -15.7 10.0 -16.1 99 101 A A H > S+ 0 0 0 -4,-0.3 4,-2.8 -40,-0.2 5,-0.2 0.908 101.1 43.7 -54.6 -52.2 -17.0 8.4 -12.8 100 102 A I H > S+ 0 0 0 -48,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.871 112.8 56.4 -58.9 -34.3 -14.0 6.0 -12.2 101 103 A G H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.905 109.9 44.0 -54.6 -48.4 -11.8 8.9 -13.2 102 104 A I H X S+ 0 0 26 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.918 115.5 48.3 -66.2 -48.7 -13.4 11.1 -10.4 103 105 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.901 112.5 47.9 -60.1 -44.2 -13.2 8.2 -7.8 104 106 A E H X S+ 0 0 9 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.888 105.0 59.1 -66.9 -36.9 -9.6 7.4 -8.6 105 107 A E H X S+ 0 0 116 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.934 114.6 36.9 -57.5 -43.4 -8.6 11.0 -8.4 106 108 A K H >X S+ 0 0 25 -4,-1.6 4,-2.1 2,-0.2 3,-0.8 0.979 116.5 48.3 -71.9 -62.8 -9.8 11.1 -4.8 107 109 A I H 3<>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 -2,-0.2 0.880 111.2 55.1 -46.0 -40.8 -8.9 7.7 -3.5 108 110 A S H ><5S+ 0 0 46 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.878 108.2 46.5 -59.6 -42.0 -5.4 8.3 -5.0 109 111 A Q H <<5S+ 0 0 130 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.809 108.8 57.0 -67.9 -38.0 -4.9 11.5 -3.0 110 112 A R T 3<5S- 0 0 79 -4,-2.1 -34,-2.4 -5,-0.1 -33,-0.5 0.173 132.7 -84.5 -79.2 14.6 -6.1 9.8 0.1 111 113 A G T < 5S+ 0 0 21 -3,-1.0 -33,-0.5 1,-0.2 -3,-0.2 0.035 79.4 136.6 114.4 -31.5 -3.4 7.1 -0.2 112 114 A G < - 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