==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 05-NOV-04 1WSB . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.ARTALI,G.BOMBIERI,N.MARCHINI,F.MENEGHETTI,G.L.ROSSI,D.CAVA . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.0 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 . 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 68 0, 0.0 30,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.2 1.1 22.3 7.5 2 3 A K E -a 31 0A 92 28,-0.2 48,-2.0 46,-0.1 49,-1.6 -0.961 360.0-170.3-116.1 123.1 2.9 22.0 4.2 3 4 A A E -ab 32 51A 0 28,-3.0 30,-2.8 -2,-0.5 2,-0.5 -0.884 10.5-159.7-114.5 144.8 0.9 22.5 0.9 4 5 A L E -ab 33 52A 0 47,-2.6 49,-2.8 -2,-0.4 2,-0.5 -0.987 7.0-167.8-118.0 136.5 2.0 21.9 -2.6 5 6 A I E -ab 34 53A 0 28,-2.8 30,-3.5 -2,-0.5 2,-0.5 -0.982 5.1-176.7-123.6 123.1 0.1 23.6 -5.5 6 7 A V E -ab 35 54A 0 47,-2.4 49,-3.3 -2,-0.5 2,-0.4 -0.985 9.3-175.3-120.7 124.2 0.7 22.4 -9.0 7 8 A Y E -ab 36 55A 22 28,-2.1 30,-3.5 -2,-0.5 2,-0.5 -0.961 24.5-155.8-125.0 152.7 -1.0 24.2 -11.9 8 9 A G E + b 0 56A 0 47,-2.0 49,-1.2 -2,-0.4 2,-0.4 -0.977 29.0 165.4-118.3 121.5 -1.3 23.9 -15.7 9 10 A S + 0 0 13 -2,-0.5 29,-0.1 47,-0.1 -2,-0.0 -0.990 22.8 177.0-143.4 127.5 -2.1 27.3 -17.3 10 11 A T S S+ 0 0 80 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.792 93.2 21.3-101.7 -43.3 -2.0 28.4 -21.0 11 12 A T S S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.405 113.0-104.2-107.5 14.9 -3.2 31.9 -20.7 12 13 A G S > S+ 0 0 15 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.390 88.3 113.6 86.2 -1.5 -2.5 32.5 -17.1 13 14 A N H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.930 83.8 40.2 -74.0 -39.8 -6.0 32.2 -15.6 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.839 114.9 56.7 -77.6 -31.3 -5.4 29.0 -13.6 15 16 A E H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.940 107.2 46.6 -59.4 -45.8 -1.9 30.5 -12.7 16 17 A Y H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.843 111.8 52.0 -62.6 -41.4 -3.5 33.6 -11.2 17 18 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.912 109.7 48.9 -60.0 -42.5 -6.0 31.3 -9.3 18 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.870 109.8 52.7 -66.4 -32.2 -3.1 29.3 -7.9 19 20 A E H X S+ 0 0 104 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 110.8 47.9 -70.1 -37.8 -1.3 32.6 -6.9 20 21 A T H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.892 113.1 45.5 -67.4 -46.4 -4.5 33.7 -5.1 21 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.950 112.1 54.1 -66.4 -38.9 -4.9 30.3 -3.2 22 23 A A H X S+ 0 0 16 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.907 108.7 47.4 -61.5 -35.7 -1.2 30.3 -2.4 23 24 A R H X S+ 0 0 145 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.923 111.3 50.3 -75.0 -37.2 -1.4 33.7 -0.8 24 25 A E H X S+ 0 0 40 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.942 114.7 44.5 -62.6 -51.7 -4.5 32.8 1.2 25 26 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 3,-0.8 0.956 114.0 49.0 -58.9 -51.2 -2.8 29.6 2.5 26 27 A A H ><5S+ 0 0 51 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.876 109.6 53.5 -54.0 -42.4 0.5 31.4 3.3 27 28 A D H 3<5S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 103.4 55.5 -62.3 -27.1 -1.4 34.0 5.1 28 29 A A T <<5S- 0 0 45 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.357 129.0 -97.8 -79.6 -9.1 -3.1 31.4 7.2 29 30 A G T < 5S+ 0 0 63 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.435 77.0 141.7 106.2 0.8 0.5 30.1 8.3 30 31 A Y < - 0 0 36 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.451 56.1-124.6 -76.4 151.1 0.8 27.2 5.8 31 32 A E E -a 2 0A 122 -30,-3.2 -28,-3.0 -2,-0.1 2,-0.5 -0.842 37.1-162.8 -82.8 130.9 4.2 26.5 4.1 32 33 A V E -a 3 0A 45 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.988 19.4-171.2-122.7 132.8 3.2 26.7 0.4 33 34 A D E -a 4 0A 57 -30,-2.8 -28,-2.8 -2,-0.5 2,-0.5 -0.977 13.7-169.4-117.4 114.5 5.3 25.3 -2.5 34 35 A S E +a 5 0A 53 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.911 7.7 178.7-108.4 129.9 3.7 26.4 -5.8 35 36 A R E -a 6 0A 86 -30,-3.5 -28,-2.1 -2,-0.5 2,-0.3 -0.991 30.6-125.3-133.9 136.6 5.0 24.8 -9.1 36 37 A D E > -a 7 0A 52 -2,-0.4 3,-1.4 -30,-0.2 -28,-0.2 -0.562 23.4-135.1 -67.8 132.5 4.1 25.2 -12.8 37 38 A A G > S+ 0 0 6 -30,-3.5 3,-1.6 -2,-0.3 -29,-0.1 0.790 97.2 79.7 -59.6 -24.4 3.2 21.7 -14.2 38 39 A A G 3 S+ 0 0 57 -31,-0.4 -1,-0.2 1,-0.3 -30,-0.1 0.805 107.9 27.6 -56.2 -34.1 5.4 22.5 -17.3 39 40 A S G < S+ 0 0 98 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.239 94.8 103.8-124.3 42.0 8.3 21.7 -15.2 40 41 A V < - 0 0 23 -3,-1.6 2,-0.4 -5,-0.1 33,-0.0 -0.675 57.9-131.7-106.3 171.9 7.5 19.2 -12.5 41 42 A E - 0 0 156 -2,-0.2 4,-0.2 2,-0.1 -2,-0.0 -0.948 9.3-144.2-120.2 131.0 8.4 15.6 -12.2 42 43 A A > + 0 0 12 -2,-0.4 3,-1.5 2,-0.1 4,-0.3 0.815 66.2 104.4 -65.7 -30.1 5.6 13.1 -11.3 43 44 A G T 3 S- 0 0 48 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.410 106.4 -20.7 -69.7 124.7 7.6 10.8 -9.3 44 45 A G T > S+ 0 0 21 35,-3.1 3,-2.3 -2,-0.3 -1,-0.3 0.427 91.4 147.4 71.2 6.4 7.2 11.0 -5.5 45 46 A L T < + 0 0 9 -3,-1.5 36,-0.1 1,-0.3 -2,-0.1 0.748 68.9 41.3 -46.6 -39.5 5.8 14.6 -6.2 46 47 A F T > S+ 0 0 0 34,-2.8 3,-1.8 -4,-0.3 -1,-0.3 0.608 83.7 117.7 -89.0 -12.2 3.4 14.7 -3.4 47 48 A E T < S+ 0 0 129 -3,-2.3 3,-0.1 33,-0.5 35,-0.0 -0.339 77.0 26.1 -62.8 131.3 5.5 13.0 -0.7 48 49 A G T 3 S+ 0 0 49 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.321 97.4 114.1 100.1 -8.2 6.1 15.3 2.3 49 50 A F < - 0 0 21 -3,-1.8 -1,-0.3 1,-0.1 37,-0.2 -0.839 51.1-164.2-107.6 134.3 3.0 17.3 1.7 50 51 A D S S+ 0 0 87 -48,-2.0 36,-0.5 -2,-0.5 2,-0.3 0.724 86.6 21.1 -74.9 -27.5 0.0 17.4 4.1 51 52 A L E -b 3 0A 0 -49,-1.6 -47,-2.6 34,-0.1 2,-0.5 -0.993 63.7-167.3-146.9 137.1 -2.1 19.0 1.3 52 53 A V E -bc 4 87A 0 34,-2.0 36,-1.6 -2,-0.3 2,-0.5 -0.993 4.0-166.7-131.2 124.4 -1.8 19.0 -2.5 53 54 A L E -bc 5 88A 0 -49,-2.8 -47,-2.4 -2,-0.5 2,-0.5 -0.978 6.3-161.0-111.4 124.0 -3.9 21.3 -4.8 54 55 A L E -bc 6 89A 1 34,-1.6 36,-2.9 -2,-0.5 2,-0.4 -0.883 6.5-170.2-104.9 125.7 -4.0 20.6 -8.5 55 56 A G E +bc 7 90A 0 -49,-3.3 -47,-2.0 -2,-0.5 2,-0.3 -0.974 13.6 158.7-113.6 140.5 -5.1 23.3 -10.9 56 57 A C E -b 8 0A 0 34,-2.2 48,-0.2 -2,-0.4 -47,-0.1 -0.947 30.1-134.6-159.7 133.9 -5.7 22.8 -14.5 57 58 A S - 0 0 9 -49,-1.2 10,-1.5 -2,-0.3 2,-0.4 -0.323 26.6-121.4 -80.6 156.7 -7.7 24.6 -17.3 58 59 A T E +F 66 0B 24 34,-1.5 2,-0.2 8,-0.2 8,-0.2 -0.915 35.0 166.3-105.7 140.7 -10.0 22.8 -19.7 59 60 A W E +F 65 0B 106 6,-3.1 6,-2.4 -2,-0.4 4,-0.1 -0.668 37.6 82.2-135.0 179.0 -9.5 22.9 -23.5 60 61 A G - 0 0 18 -2,-0.2 2,-2.6 4,-0.2 4,-0.1 -0.064 55.3-154.2 119.8 -41.0 -10.9 20.9 -26.4 61 62 A D S S+ 0 0 106 1,-0.3 37,-0.6 38,-0.1 38,-0.4 -0.418 91.1 39.1 65.6 -70.1 -14.3 22.4 -27.1 62 63 A D S S+ 0 0 119 -2,-2.6 2,-0.3 36,-0.1 -1,-0.3 0.120 134.3 8.2 -90.9 8.9 -15.9 19.2 -28.6 63 64 A C S S- 0 0 47 -4,-0.1 2,-0.6 36,-0.1 36,-0.1 -0.960 95.5 -80.3-171.9 178.3 -14.2 16.9 -26.2 64 65 A I + 0 0 77 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.2 -0.841 43.5 169.9-104.3 126.0 -12.1 17.2 -23.0 65 66 A E E -F 59 0B 100 -6,-2.4 -6,-3.1 -2,-0.6 2,-0.2 -0.975 28.4-131.6-123.6 144.4 -8.5 18.1 -23.3 66 67 A L E -F 58 0B 20 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.567 46.1 -76.4 -88.6 153.9 -6.4 19.0 -20.2 67 68 A Q >> - 0 0 1 -10,-1.5 3,-1.2 -2,-0.2 4,-0.9 -0.263 51.9-117.2 -45.4 137.2 -4.2 22.2 -20.3 68 69 A D T >4 S+ 0 0 119 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.820 109.7 53.6 -63.4 -33.0 -1.2 21.0 -22.4 69 70 A D T 3> S+ 0 0 53 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.821 108.4 52.3 -70.1 -25.0 1.5 21.5 -19.6 70 71 A F H <> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.711 84.1 84.4 -82.9 -20.1 -0.5 19.4 -17.3 71 72 A I H S+ 0 0 80 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.937 112.9 45.2 -58.6 -44.8 2.4 14.6 -18.6 73 74 A L H < S+ 0 0 4 -4,-0.5 3,-0.5 1,-0.2 -2,-0.2 0.905 112.8 49.3 -68.4 -36.9 1.7 14.8 -14.9 74 75 A F H >< S+ 0 0 42 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.873 107.8 53.4 -67.7 -42.0 -1.8 13.6 -15.2 75 76 A D H 3< S+ 0 0 113 -4,-2.7 -1,-0.3 -5,-0.2 3,-0.2 0.759 116.0 42.5 -57.3 -23.2 -0.7 10.6 -17.3 76 77 A S T >< S+ 0 0 41 -4,-1.2 3,-2.4 -3,-0.5 4,-0.3 0.119 74.3 120.5-113.4 19.3 1.8 9.8 -14.4 77 78 A L G X + 0 0 0 -3,-1.1 3,-1.1 1,-0.3 5,-0.5 0.794 66.7 65.0 -63.3 -27.3 -0.6 10.5 -11.4 78 79 A E G 3 S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.2 3,-0.3 0.716 100.5 54.8 -63.7 -20.1 -0.2 6.8 -10.1 79 80 A E G < S+ 0 0 107 -3,-2.4 -35,-3.1 1,-0.2 -1,-0.2 0.468 89.0 78.6 -91.0 -0.9 3.5 7.7 -9.5 80 81 A T S < S- 0 0 0 -3,-1.1 -34,-2.8 -4,-0.3 -33,-0.5 0.700 102.9-103.5 -83.8 -22.0 3.0 10.7 -7.3 81 82 A G + 0 0 24 -4,-0.3 4,-0.1 -3,-0.3 -3,-0.1 0.583 66.2 147.7 100.4 25.5 2.1 9.4 -3.8 82 83 A A > + 0 0 4 -5,-0.5 3,-1.8 2,-0.1 35,-0.3 0.747 30.6 107.5 -69.9 -22.5 -1.6 10.2 -4.0 83 84 A Q T 3 S+ 0 0 136 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.478 98.5 0.5 -60.4 128.3 -2.9 7.3 -1.8 84 85 A G T 3 S+ 0 0 53 31,-3.4 2,-0.3 1,-0.2 -1,-0.3 0.338 102.7 136.4 77.8 -4.1 -4.1 8.6 1.6 85 86 A R < - 0 0 53 -3,-1.8 32,-3.0 -4,-0.1 2,-0.4 -0.585 58.1-127.1 -85.4 139.8 -3.1 12.2 0.5 86 87 A K E + d 0 117A 62 -36,-0.5 -34,-2.0 -2,-0.3 2,-0.3 -0.598 46.6 159.4 -86.2 128.9 -5.4 15.0 1.2 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.5 -2,-0.4 33,-0.6 -0.952 24.4-175.9-144.2 160.2 -6.0 16.8 -2.1 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-1.6 -2,-0.3 2,-0.3 -0.967 18.3-134.9-154.7 168.2 -8.4 19.1 -3.8 89 90 A C E +c 54 0A 1 31,-0.4 34,-2.5 -2,-0.3 2,-0.3 -0.781 17.4 177.8-132.9 157.3 -8.7 20.5 -7.4 90 91 A F E +ce 55 123A 1 -36,-2.9 -34,-2.2 -2,-0.3 2,-0.3 -0.919 9.1 153.0-150.8 153.4 -9.3 23.8 -9.2 91 92 A G E - e 0 124A 0 32,-1.9 34,-2.2 -2,-0.3 2,-0.3 -0.899 34.1-112.5-174.6 162.0 -9.4 25.1 -12.7 92 93 A C E + e 0 125A 6 -2,-0.3 -34,-1.5 32,-0.2 2,-0.3 -0.731 42.3 139.7-105.9 148.3 -10.7 27.7 -15.1 93 94 A G E - e 0 126A 19 32,-2.5 34,-2.2 -2,-0.3 2,-0.4 -0.828 46.9-102.8-155.5-160.1 -13.1 27.0 -18.0 94 95 A D > - 0 0 66 -2,-0.3 3,-1.8 32,-0.2 7,-0.1 -0.945 15.3-142.1-146.8 122.5 -16.2 28.6 -19.6 95 96 A S T 3 S+ 0 0 66 -2,-0.4 5,-0.1 1,-0.3 31,-0.0 0.441 94.2 76.5 -66.9 -5.0 -19.7 27.3 -19.0 96 97 A S T 3 S+ 0 0 95 3,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.641 82.6 84.1 -80.2 -15.4 -20.7 27.9 -22.7 97 98 A Y S < S- 0 0 112 -3,-1.8 3,-0.3 1,-0.1 -35,-0.1 -0.460 90.2-118.1 -84.0 159.3 -18.7 24.8 -23.6 98 99 A E S S+ 0 0 146 -37,-0.6 2,-1.0 1,-0.3 -1,-0.1 0.955 109.2 40.1 -65.4 -37.6 -20.3 21.3 -23.4 99 100 A Y S > S- 0 0 95 -38,-0.4 3,-1.5 -36,-0.1 2,-0.4 -0.744 83.7-161.0-112.8 88.5 -17.8 20.0 -20.7 100 101 A F T 3 S- 0 0 59 -2,-1.0 -5,-0.1 -3,-0.3 -7,-0.1 -0.530 76.1 -14.4 -74.0 128.2 -17.4 23.0 -18.4 101 102 A C T >> S+ 0 0 1 -2,-0.4 4,-1.4 -7,-0.1 3,-1.0 0.828 83.5 159.7 47.8 39.1 -14.2 22.5 -16.4 102 103 A G H <> + 0 0 2 -3,-1.5 4,-2.2 1,-0.3 5,-0.1 0.695 65.7 65.2 -65.8 -23.9 -14.1 18.8 -17.4 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.897 95.9 53.8 -63.2 -35.1 -10.4 18.8 -16.6 104 105 A V H <> S+ 0 0 1 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.953 112.0 46.1 -65.4 -44.4 -11.1 19.4 -12.9 105 106 A D H X S+ 0 0 67 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.937 111.2 51.3 -58.9 -44.3 -13.5 16.3 -12.9 106 107 A A H X S+ 0 0 32 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.891 113.7 43.6 -58.7 -52.4 -11.1 14.1 -14.8 107 108 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.915 114.7 50.4 -63.9 -40.1 -8.2 15.0 -12.3 108 109 A E H X S+ 0 0 28 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.943 112.3 46.9 -61.0 -45.9 -10.6 14.5 -9.2 109 110 A E H X S+ 0 0 107 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.882 111.8 50.2 -60.9 -48.3 -11.8 11.1 -10.5 110 111 A K H X S+ 0 0 66 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.3 0.915 112.5 46.9 -60.0 -43.7 -8.4 10.0 -11.2 111 112 A L H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 -2,-0.2 0.915 110.1 53.3 -63.4 -43.4 -7.3 11.0 -7.7 112 113 A K H ><5S+ 0 0 118 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.876 108.5 49.6 -55.2 -49.7 -10.3 9.3 -6.0 113 114 A N H 3<5S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 104.1 60.7 -67.0 -23.1 -9.5 6.0 -7.7 114 115 A L T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.524 122.8-105.5 -80.9 2.6 -6.0 6.3 -6.6 115 116 A G T < 5 + 0 0 27 -3,-1.7 -31,-3.4 1,-0.3 -3,-0.2 0.660 69.9 149.4 87.7 12.3 -7.1 6.3 -2.9 116 117 A A < - 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