==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-MAR-05 2BMV . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.MARTINEZ-JULVEZ,J.A.HERMOSO,J.SANCHO,I.PEREZ-DORADO,N.CREM . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 25.2 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+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 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 G 0 0 58 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -69.1 21.2 33.6 35.6 2 3 A K + 0 0 101 25,-1.5 44,-0.6 42,-0.1 2,-0.6 0.568 360.0 85.1-136.6 -18.5 18.2 34.3 33.4 3 4 A I E -ab 28 46A 5 24,-2.9 26,-2.6 41,-0.1 2,-0.6 -0.840 66.4-149.7 -81.4 123.8 16.0 31.2 32.8 4 5 A G E -ab 29 47A 0 42,-2.1 44,-1.9 -2,-0.6 2,-0.7 -0.859 9.5-166.0 -97.7 117.5 13.7 30.9 35.8 5 6 A I E -ab 30 48A 0 24,-3.5 26,-3.0 -2,-0.6 2,-0.5 -0.901 9.0-167.1-108.7 104.4 12.7 27.3 36.6 6 7 A F E +ab 31 49A 0 42,-1.7 44,-2.8 -2,-0.7 2,-0.3 -0.860 9.0 178.8 -96.0 121.9 9.7 27.3 39.0 7 8 A F E -ab 32 50A 5 24,-2.3 26,-3.0 -2,-0.5 27,-0.4 -0.881 16.6-170.6-122.5 157.3 8.8 24.1 40.7 8 9 A G + 0 0 0 42,-1.3 2,-0.3 -2,-0.3 52,-0.1 -0.971 20.4 170.1-139.3 141.4 6.2 23.0 43.2 9 10 A T - 0 0 25 -2,-0.3 25,-0.1 42,-0.1 53,-0.0 -0.988 37.1-175.0-158.1 140.9 6.2 19.6 44.9 10 11 A D S S+ 0 0 119 -2,-0.3 -1,-0.1 51,-0.0 44,-0.0 0.642 100.9 32.7 -95.9 -30.5 4.7 17.4 47.6 11 12 A S S S- 0 0 91 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.634 105.1-116.6-102.9 -17.9 7.1 14.4 47.1 12 13 A G S > S+ 0 0 28 -4,-0.0 4,-1.9 4,-0.0 3,-0.3 0.156 87.2 108.7 95.4 -14.9 10.3 16.2 46.0 13 14 A N H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 74.6 55.5 -66.0 -33.0 10.4 14.6 42.5 14 15 A A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 107.8 49.3 -68.4 -32.6 9.5 17.9 40.8 15 16 A E H > S+ 0 0 84 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.942 111.1 49.0 -67.8 -46.0 12.5 19.7 42.5 16 17 A A H X S+ 0 0 49 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.851 112.1 49.7 -64.8 -33.7 14.9 17.0 41.4 17 18 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.920 108.4 53.0 -68.5 -43.7 13.5 17.2 37.9 18 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.853 109.8 48.4 -55.4 -41.8 13.9 21.0 37.9 19 20 A E H X S+ 0 0 71 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.854 108.8 52.3 -71.7 -40.1 17.5 20.7 38.9 20 21 A K H X S+ 0 0 82 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.925 112.8 46.0 -59.0 -44.2 18.2 18.1 36.2 21 22 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.925 110.3 53.7 -63.4 -47.7 16.7 20.4 33.6 22 23 A S H X S+ 0 0 16 -4,-2.3 4,-1.9 1,-0.2 6,-0.2 0.874 110.1 46.7 -54.3 -41.9 18.7 23.3 35.1 23 24 A K H < S+ 0 0 168 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.882 114.6 49.1 -70.2 -38.5 22.0 21.4 34.7 24 25 A A H < S+ 0 0 55 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.966 120.5 31.0 -61.3 -56.5 21.1 20.4 31.2 25 26 A I H < S- 0 0 30 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.855 95.9-152.5 -81.6 -35.6 20.1 23.8 29.8 26 27 A G < + 0 0 30 -4,-1.9 3,-0.1 -5,-0.4 -1,-0.1 -0.085 64.2 65.1 84.2 168.3 22.4 26.1 31.8 27 28 A N S S+ 0 0 86 1,-0.2 -24,-2.9 -25,-0.1 -25,-1.5 0.783 79.7 127.9 54.9 38.7 21.9 29.8 32.8 28 29 A A E -a 3 0A 14 -6,-0.2 2,-0.4 -26,-0.2 -24,-0.2 -0.802 51.0-146.8-125.1 161.4 18.9 29.0 35.0 29 30 A E E -a 4 0A 92 -26,-2.6 -24,-3.5 -2,-0.3 2,-0.5 -0.998 16.7-142.2-124.9 136.6 17.7 29.6 38.5 30 31 A V E -a 5 0A 34 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.871 24.3-179.1-105.5 125.4 15.6 27.1 40.3 31 32 A V E -a 6 0A 22 -26,-3.0 -24,-2.3 -2,-0.5 2,-0.5 -0.957 27.6-131.0-135.6 132.3 12.8 28.5 42.5 32 33 A D E > -a 7 0A 33 -2,-0.4 3,-1.6 -26,-0.2 -24,-0.2 -0.740 14.9-145.6 -82.7 122.1 10.2 26.9 44.8 33 34 A V G > S+ 0 0 4 -26,-3.0 3,-0.9 -2,-0.5 -25,-0.1 0.748 97.9 69.0 -61.4 -23.7 6.8 28.5 44.0 34 35 A A G 3 S+ 0 0 51 -27,-0.4 -1,-0.3 1,-0.2 -26,-0.1 0.769 109.8 34.1 -59.9 -28.0 6.0 28.1 47.7 35 36 A K G < S+ 0 0 174 -3,-1.6 -1,-0.2 2,-0.1 2,-0.2 0.226 107.7 90.4-114.0 11.7 8.6 30.8 48.4 36 37 A A < - 0 0 18 -3,-0.9 2,-0.3 -4,-0.2 -3,-0.0 -0.646 53.4-157.3-114.5 164.0 8.1 32.9 45.2 37 38 A S > - 0 0 44 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.817 40.8 -97.9-132.1 168.2 5.9 35.9 44.2 38 39 A K H > S+ 0 0 92 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.873 126.3 58.3 -50.8 -41.2 4.4 37.5 41.1 39 40 A E H 4 S+ 0 0 132 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.944 106.0 45.8 -52.7 -55.3 7.4 39.8 41.5 40 41 A Q H >4 S+ 0 0 67 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.875 109.6 54.7 -57.0 -44.4 9.9 36.9 41.2 41 42 A F H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.902 107.3 51.0 -56.4 -43.4 8.0 35.4 38.2 42 43 A N T 3< S+ 0 0 76 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.383 90.1 78.4 -83.5 4.9 8.4 38.8 36.4 43 44 A S T < S+ 0 0 77 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 0.276 94.0 59.5 -91.9 6.1 12.1 38.9 37.1 44 45 A F < - 0 0 17 -3,-1.1 -41,-0.1 1,-0.1 3,-0.1 -0.973 59.7-165.0-126.6 149.2 12.6 36.4 34.2 45 46 A T S S+ 0 0 71 -43,-0.5 34,-1.7 -2,-0.3 2,-0.4 0.557 84.5 45.0-100.5 -14.4 11.6 36.7 30.5 46 47 A K E S+bc 3 79A 44 -44,-0.6 -42,-2.1 32,-0.2 2,-0.3 -0.994 73.2 177.6-131.9 130.5 11.9 32.9 29.9 47 48 A V E -bc 4 80A 0 32,-3.1 34,-2.5 -2,-0.4 2,-0.4 -0.979 27.7-153.8-140.3 153.5 10.6 30.2 32.1 48 49 A I E -bc 5 81A 0 -44,-1.9 -42,-1.7 -2,-0.3 2,-0.6 -0.999 21.8-154.5-121.2 125.9 10.2 26.5 32.6 49 50 A L E -bc 6 82A 0 32,-3.2 34,-2.9 -2,-0.4 2,-0.6 -0.903 8.6-170.7-112.1 112.6 7.3 25.5 34.8 50 51 A V E +bc 7 83A 0 -44,-2.8 -42,-1.3 -2,-0.6 34,-0.2 -0.911 17.1 160.2-112.9 110.0 7.5 22.1 36.6 51 52 A A E - c 0 84A 0 32,-2.1 34,-1.1 -2,-0.6 48,-0.2 -0.980 27.6-145.5-138.2 121.6 4.3 21.1 38.3 52 53 A P E - c 0 85A 19 0, 0.0 8,-1.9 0, 0.0 2,-0.4 -0.414 26.7-113.6 -79.9 161.1 3.2 17.6 39.4 53 54 A T E -F 59 0B 27 32,-0.9 2,-0.4 6,-0.2 6,-0.2 -0.823 25.0-149.3 -94.0 138.9 -0.4 16.6 39.2 54 55 A A E > -F 58 0B 25 4,-3.1 4,-1.5 -2,-0.4 43,-0.0 -0.945 55.5 -37.4-113.1 128.6 -2.2 16.0 42.5 55 56 A G T 4 S- 0 0 38 -2,-0.4 2,-1.5 1,-0.2 -2,-0.1 -0.274 125.3 -3.9 60.9-136.8 -5.0 13.4 42.8 56 57 A A T 4 S- 0 0 71 1,-0.2 -1,-0.2 41,-0.1 39,-0.1 -0.590 133.2 -44.9 -93.0 72.5 -7.3 13.2 39.7 57 58 A G T 4 S+ 0 0 0 -2,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.367 96.4 134.8 90.5 -2.9 -5.9 16.0 37.6 58 59 A D E < -F 54 0B 91 -4,-1.5 -4,-3.1 1,-0.1 2,-0.3 -0.329 57.6-110.0 -69.7 158.8 -5.5 18.9 40.2 59 60 A L E -F 53 0B 5 -6,-0.2 -6,-0.2 39,-0.1 5,-0.1 -0.691 44.9 -87.7 -85.4 140.1 -2.4 21.0 40.3 60 61 A Q > - 0 0 1 -8,-1.9 4,-2.4 -2,-0.3 3,-0.3 -0.240 46.2-113.2 -43.9 140.5 0.0 20.5 43.3 61 62 A T H > S+ 0 0 75 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.830 112.6 49.7 -59.6 -46.9 -1.2 22.9 46.0 62 63 A D H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.924 113.4 48.9 -55.5 -46.4 1.7 25.3 46.2 63 64 A W H > S+ 0 0 0 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.930 109.9 51.9 -59.3 -46.3 1.5 25.7 42.4 64 65 A E H X S+ 0 0 102 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.943 112.0 46.0 -53.4 -50.1 -2.3 26.2 42.7 65 66 A D H < S+ 0 0 100 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.893 116.1 45.2 -59.3 -44.5 -1.7 29.0 45.3 66 67 A F H >< S+ 0 0 8 -4,-2.5 3,-1.5 1,-0.2 4,-0.4 0.912 110.8 51.6 -69.5 -47.2 1.0 30.6 43.2 67 68 A L H >< S+ 0 0 13 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.800 100.3 66.9 -60.1 -28.9 -0.8 30.5 39.9 68 69 A G T 3< S+ 0 0 57 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.731 99.3 48.7 -67.0 -23.5 -3.8 32.1 41.6 69 70 A T T < S+ 0 0 85 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.3 0.436 102.1 78.5 -94.9 -5.2 -1.9 35.4 42.1 70 71 A L < - 0 0 4 -3,-1.1 2,-0.2 -4,-0.4 -32,-0.0 -0.822 63.2-161.2-100.6 143.5 -0.7 35.4 38.5 71 72 A E > - 0 0 126 -2,-0.3 3,-1.8 34,-0.0 4,-0.2 -0.716 38.6 -94.5-113.5 173.6 -2.9 36.5 35.5 72 73 A A T >> S+ 0 0 42 1,-0.3 4,-1.6 -2,-0.2 3,-1.1 0.698 119.6 64.6 -65.0 -24.1 -2.5 35.8 31.8 73 74 A S H 3> S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.665 91.5 67.1 -69.4 -17.5 -0.6 39.1 31.1 74 75 A D H <4 S+ 0 0 17 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.630 111.5 32.9 -74.0 -14.6 2.1 37.7 33.4 75 76 A F H X4 S+ 0 0 0 -3,-1.1 3,-2.2 -4,-0.2 35,-0.4 0.689 94.7 84.5-107.1 -31.5 2.8 35.1 30.7 76 77 A A H 3< S+ 0 0 56 -4,-1.6 34,-0.1 1,-0.3 -2,-0.1 0.801 94.6 45.2 -52.7 -40.0 2.1 36.8 27.3 77 78 A N T 3< S+ 0 0 127 -4,-0.5 2,-0.3 32,-0.1 -1,-0.3 0.040 104.9 83.6 -93.1 28.4 5.5 38.5 27.0 78 79 A K S < S- 0 0 9 -3,-2.2 32,-2.2 28,-0.1 2,-0.4 -0.930 74.9-123.1-128.3 153.9 7.5 35.3 28.0 79 80 A T E -cd 46 110A 15 -34,-1.7 -32,-3.1 -2,-0.3 2,-0.4 -0.834 39.4-167.8 -86.8 132.8 8.9 32.1 26.5 80 81 A I E -cd 47 111A 0 30,-2.2 32,-2.8 -2,-0.4 2,-0.4 -0.990 19.5-173.2-132.1 126.9 7.4 29.2 28.5 81 82 A G E -c 48 0A 0 -34,-2.5 -32,-3.2 -2,-0.4 2,-0.4 -0.990 16.4-152.3-114.9 134.3 8.2 25.6 28.7 82 83 A L E -c 49 0A 0 30,-0.5 54,-2.5 -2,-0.4 2,-0.4 -0.820 9.2-170.0-104.4 143.8 5.9 23.3 30.7 83 84 A V E -ce 50 136A 0 -34,-2.9 -32,-2.1 -2,-0.4 2,-0.3 -0.975 10.3-167.6-134.4 113.0 7.0 20.1 32.5 84 85 A G E -ce 51 137A 0 52,-3.6 54,-2.7 -2,-0.4 2,-0.4 -0.740 9.8-155.2-101.3 149.7 4.3 17.8 33.9 85 86 A L E +ce 52 138A 15 -34,-1.1 -32,-0.9 -2,-0.3 2,-0.3 -0.966 30.3 147.2-116.2 144.4 4.6 14.9 36.2 86 87 A G - 0 0 13 52,-2.0 2,-0.5 -2,-0.4 55,-0.5 -0.978 46.9-119.3-164.3 177.3 2.0 12.2 36.2 87 88 A D > - 0 0 24 -2,-0.3 4,-2.2 4,-0.1 3,-0.2 -0.875 19.3-175.0-134.2 94.3 1.0 8.6 36.7 88 89 A Q T 4 S+ 0 0 0 -2,-0.5 35,-0.2 1,-0.2 7,-0.1 0.743 82.5 55.0 -63.0 -30.4 -0.6 7.2 33.5 89 90 A D T 4 S+ 0 0 100 2,-0.1 3,-0.4 1,-0.1 -1,-0.2 0.919 117.5 31.4 -69.6 -45.9 -1.4 3.8 35.2 90 91 A T T 4 S+ 0 0 95 1,-0.2 -2,-0.2 -3,-0.2 3,-0.1 0.796 132.2 32.9 -82.7 -33.6 -3.5 5.2 38.2 91 92 A Y >< + 0 0 88 -4,-2.2 3,-1.1 1,-0.1 4,-0.3 -0.518 68.0 152.7-128.0 60.5 -4.9 8.3 36.4 92 93 A S T 3 S+ 0 0 30 -3,-0.4 32,-2.2 1,-0.2 31,-1.3 0.744 77.1 45.8 -64.3 -27.0 -5.3 7.1 32.8 93 94 A E T 3 S+ 0 0 132 30,-0.2 -1,-0.2 1,-0.2 33,-0.1 0.406 124.5 30.6 -99.9 -0.4 -8.2 9.6 32.2 94 95 A T S X S+ 0 0 19 -3,-1.1 3,-1.8 -7,-0.2 4,-0.2 0.036 82.8 171.4-145.2 26.0 -6.5 12.6 33.8 95 96 A F T 3 S- 0 0 0 29,-1.2 32,-0.4 -4,-0.3 -9,-0.1 -0.149 72.5 -22.3 -56.4 116.7 -2.8 11.9 33.1 96 97 A A T > S+ 0 0 2 1,-0.1 3,-1.2 30,-0.1 4,-0.3 0.741 86.0 148.9 57.0 26.4 -0.4 14.8 34.0 97 98 A E T X> + 0 0 22 -3,-1.8 3,-1.1 1,-0.3 4,-0.9 0.606 45.9 91.0 -69.3 -12.4 -3.4 17.2 33.7 98 99 A G H >> S+ 0 0 0 -13,-0.3 4,-0.8 1,-0.2 3,-0.7 0.874 82.1 54.4 -42.5 -46.2 -1.7 19.4 36.3 99 100 A I H <> S+ 0 0 0 -3,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.762 93.6 70.7 -70.8 -23.7 0.1 21.4 33.7 100 101 A F H <> S+ 0 0 37 -3,-1.1 4,-2.2 -4,-0.3 -1,-0.2 0.906 93.9 54.7 -59.8 -40.2 -3.2 22.1 31.9 101 102 A H H << S+ 0 0 64 -4,-0.9 4,-0.4 -3,-0.7 -1,-0.2 0.884 111.6 45.0 -59.3 -39.5 -4.2 24.5 34.7 102 103 A I H >X S+ 0 0 0 -4,-0.8 4,-2.7 1,-0.2 3,-1.4 0.922 110.2 55.7 -66.7 -43.3 -0.9 26.3 34.2 103 104 A Y H 3X S+ 0 0 25 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.807 91.2 71.3 -59.4 -33.9 -1.5 26.2 30.4 104 105 A E H 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.809 117.6 22.1 -57.4 -26.4 -4.9 27.9 30.8 105 106 A K H X4 S+ 0 0 63 -3,-1.4 3,-1.3 -4,-0.4 -2,-0.2 0.793 121.6 56.1-100.3 -43.8 -2.9 31.1 31.6 106 107 A A H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.3 -3,-0.2 0.709 87.9 78.1 -64.3 -24.3 0.5 30.4 30.1 107 108 A K T 3< S+ 0 0 103 -4,-2.3 -1,-0.3 1,-0.3 4,-0.1 0.483 78.3 73.3 -69.2 -6.3 -0.9 29.8 26.5 108 109 A A T < S+ 0 0 52 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.752 99.6 57.2 -68.9 -27.2 -1.2 33.5 26.2 109 110 A G S < S- 0 0 17 -3,-2.3 2,-1.4 -4,-0.2 -33,-0.2 -0.027 112.7 -71.7 -90.0-167.4 2.6 33.4 25.8 110 111 A K E -d 79 0A 116 -32,-2.2 -30,-2.2 -35,-0.4 2,-0.6 -0.730 53.4-167.5 -88.5 87.3 5.1 31.7 23.5 111 112 A V E +d 80 0A 19 -2,-1.4 2,-0.3 -32,-0.2 -30,-0.2 -0.688 12.4 173.9 -75.6 120.1 4.7 28.2 24.8 112 113 A V + 0 0 16 -32,-2.8 -30,-0.5 -2,-0.6 46,-0.1 -0.821 45.1 58.7-119.6 160.7 7.5 26.0 23.4 113 114 A G + 0 0 5 -2,-0.3 -1,-0.1 1,-0.2 45,-0.1 0.631 57.1 167.1 96.8 17.5 8.4 22.4 24.1 114 115 A Q - 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