==== 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 OXIDOREDUCTASE 02-SEP-09 3IWA . COMPND 2 MOLECULE: FAD-DEPENDENT PYRIDINE NUCLEOTIDE-DISULPHIDE . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,M.IIZUKA,R.ROMERO,S.WASSERMAN . 397 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 32 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 1 2 0 0 0 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 2 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 PARALLEL BRIDGES PER LADDER . 3 1 2 1 2 2 2 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 3 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 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 84 0, 0.0 26,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 132.5 11.8 54.8 0.2 2 4 A H E -a 27 0A 34 24,-0.2 68,-3.1 26,-0.0 69,-1.4 -0.960 360.0-171.8-104.8 127.4 13.5 53.3 3.1 3 5 A V E -ab 28 71A 0 24,-2.6 26,-2.2 -2,-0.5 2,-0.4 -0.980 8.0-156.7-118.3 134.0 11.4 50.8 4.9 4 6 A V E -ab 29 72A 0 67,-2.1 69,-2.6 -2,-0.5 2,-0.5 -0.920 5.7-163.9-108.0 134.6 12.4 49.3 8.2 5 7 A V E -ab 30 73A 0 24,-2.9 26,-2.5 -2,-0.4 2,-0.6 -0.981 4.1-156.7-121.1 123.4 11.0 45.9 9.2 6 8 A I E +ab 31 74A 0 67,-3.1 69,-2.9 -2,-0.5 26,-0.2 -0.893 61.0 24.4-107.2 113.8 11.2 44.7 12.9 7 9 A G - 0 0 4 24,-3.2 2,-0.6 -2,-0.6 26,-0.2 -0.005 64.5-129.1 114.1 138.0 11.0 41.0 13.5 8 10 A A + 0 0 62 24,-0.7 3,-0.1 4,-0.1 2,-0.1 -0.946 57.2 125.5-115.4 104.7 11.9 38.1 11.3 9 11 A V S S- 0 0 53 -2,-0.6 -2,-0.1 68,-0.0 67,-0.0 0.117 86.3 -77.7-117.1-128.2 8.8 35.7 11.4 10 12 A A S > S+ 0 0 30 257,-0.1 4,-2.1 -2,-0.1 5,-0.2 0.612 130.7 60.5 -92.3 -42.6 7.2 34.6 8.2 11 13 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.801 99.4 50.1 -57.9 -45.4 5.6 38.0 8.1 12 14 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.971 113.7 43.2 -57.2 -61.8 8.6 40.3 7.9 13 15 A P H > S+ 0 0 56 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.871 115.5 51.8 -51.1 -41.5 10.5 38.5 5.0 14 16 A K H X S+ 0 0 84 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.944 110.4 46.4 -63.3 -48.9 7.2 38.2 3.2 15 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.920 116.0 45.8 -60.1 -41.1 6.3 41.8 3.4 16 18 A A H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.913 112.2 49.1 -72.6 -46.5 9.8 42.9 2.4 17 19 A C H X S+ 0 0 87 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.894 114.3 45.8 -60.7 -41.7 10.1 40.5 -0.6 18 20 A R H X S+ 0 0 58 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.908 112.4 52.5 -66.2 -42.0 6.7 41.5 -1.9 19 21 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.952 110.6 47.1 -53.7 -52.5 7.6 45.2 -1.4 20 22 A K H < S+ 0 0 61 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.859 104.8 58.5 -62.4 -39.7 10.9 44.8 -3.3 21 23 A R H < S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.935 116.9 36.0 -58.6 -41.7 9.3 42.9 -6.2 22 24 A L H < S+ 0 0 66 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.800 132.1 26.6 -79.0 -35.4 7.0 46.0 -6.7 23 25 A D >< + 0 0 28 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 -0.651 64.5 166.5-130.0 76.7 9.5 48.8 -5.8 24 26 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.647 73.9 64.8 -69.7 -14.3 13.1 47.5 -6.6 25 27 A E T 3 S+ 0 0 161 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.570 88.4 89.7 -83.7 -12.2 14.5 51.0 -6.3 26 28 A A S < S- 0 0 9 -3,-1.6 2,-0.4 -6,-0.1 -24,-0.2 -0.318 72.4-126.7 -83.5 166.9 13.6 51.2 -2.5 27 29 A H E -a 2 0A 81 -26,-3.2 -24,-2.6 -2,-0.1 2,-0.4 -0.903 19.1-167.1-117.2 143.8 15.7 50.1 0.4 28 30 A V E -a 3 0A 1 -2,-0.4 9,-2.8 -26,-0.2 2,-0.4 -0.997 6.6-167.7-131.5 135.5 14.7 47.8 3.2 29 31 A T E -ac 4 37A 0 -26,-2.2 -24,-2.9 -2,-0.4 2,-0.4 -0.995 10.0-163.2-119.3 129.7 16.4 47.1 6.6 30 32 A M E -ac 5 38A 25 7,-2.6 9,-2.8 -2,-0.4 2,-0.4 -0.939 0.7-163.5-114.1 133.9 15.2 44.1 8.6 31 33 A I E -ac 6 39A 1 -26,-2.5 -24,-3.2 -2,-0.4 9,-0.2 -0.944 15.7-146.5-117.5 135.0 16.0 43.7 12.3 32 34 A D - 0 0 47 7,-1.9 -24,-0.7 -2,-0.4 11,-0.1 0.631 22.4-142.7 -80.0 -11.0 15.6 40.4 13.9 33 35 A Q 0 0 28 9,-1.2 10,-0.2 6,-0.3 7,-0.1 0.875 360.0 360.0 52.7 45.1 14.5 41.8 17.3 34 36 A A 0 0 63 8,-0.9 -1,-0.1 -27,-0.0 -2,-0.0 -0.116 360.0 360.0 -64.7 360.0 16.5 39.1 19.2 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 80 A V 0 0 100 0, 0.0 2,-0.8 0, 0.0 -7,-0.2 0.000 360.0 360.0 360.0 100.7 17.8 43.8 1.9 37 81 A E E -c 29 0A 63 -9,-2.8 -7,-2.6 2,-0.0 2,-0.7 -0.708 360.0-165.6 -79.2 104.9 20.0 45.0 4.8 38 82 A A E -c 30 0A 73 -2,-0.8 2,-0.7 -9,-0.2 -7,-0.2 -0.850 8.2-169.0-106.4 107.6 19.6 42.3 7.4 39 83 A L E -c 31 0A 36 -9,-2.8 -7,-1.9 -2,-0.7 3,-0.4 -0.832 10.1-166.0 -98.7 109.8 20.8 43.0 10.9 40 84 A V + 0 0 99 -2,-0.7 3,-0.1 1,-0.2 -7,-0.0 -0.399 68.5 23.0 -88.7 169.7 20.9 40.0 13.2 41 85 A E S S+ 0 0 83 1,-0.2 18,-2.5 -2,-0.1 19,-0.4 0.838 98.0 130.9 39.1 44.3 21.2 39.9 17.0 42 86 A T E -F 58 0B 5 -3,-0.4 -9,-1.2 16,-0.2 -8,-0.9 -0.969 42.9-157.6-129.3 137.6 19.8 43.4 16.9 43 87 A R E -F 57 0B 97 14,-2.4 14,-2.3 -2,-0.4 2,-0.4 -0.944 17.4-132.8-119.0 136.7 17.0 45.0 18.9 44 88 A A E -F 56 0B 1 -2,-0.4 12,-0.3 12,-0.2 3,-0.1 -0.706 22.9-175.6 -77.4 134.2 14.8 48.0 18.3 45 89 A H E - 0 0 102 10,-3.4 2,-0.3 1,-0.4 -1,-0.2 0.782 60.9 -5.9-101.7 -37.8 14.8 50.0 21.6 46 90 A A E -F 55 0B 29 9,-1.0 9,-1.7 2,-0.0 2,-0.5 -0.989 55.1-137.6-158.0 153.3 12.3 52.7 20.7 47 91 A I E -F 54 0B 15 -2,-0.3 2,-0.7 170,-0.3 7,-0.2 -0.973 8.4-162.3-115.0 128.1 10.3 54.2 17.9 48 92 A D E >> -F 53 0B 80 5,-3.0 5,-2.1 -2,-0.5 4,-0.7 -0.912 9.1-176.7-109.1 105.0 10.0 57.9 17.4 49 93 A R T 45S+ 0 0 66 -2,-0.7 3,-0.4 172,-0.3 -1,-0.2 0.885 79.0 50.3 -69.5 -44.9 6.9 58.3 15.2 50 94 A A T 45S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.930 120.4 37.7 -60.0 -44.8 7.1 62.1 14.7 51 95 A A T 45S- 0 0 41 2,-0.1 -1,-0.2 17,-0.0 -2,-0.2 0.498 103.9-131.1 -81.9 -10.0 10.8 61.9 13.7 52 96 A H T <5 + 0 0 39 -4,-0.7 17,-2.4 -3,-0.4 2,-0.3 0.944 61.1 132.6 52.6 55.5 10.4 58.6 11.7 53 97 A T E < -FG 48 68B 28 -5,-2.1 -5,-3.0 15,-0.2 2,-0.4 -0.972 44.2-159.9-134.7 147.9 13.4 57.0 13.5 54 98 A V E -FG 47 67B 0 13,-2.4 13,-2.8 -2,-0.3 2,-0.5 -0.993 14.9-145.7-125.5 122.8 14.1 53.7 15.2 55 99 A E E -FG 46 66B 93 -9,-1.7 -10,-3.4 -2,-0.4 -9,-1.0 -0.757 25.1-172.8 -85.8 128.3 17.0 53.4 17.7 56 100 A I E -FG 44 65B 8 9,-3.8 9,-2.6 -2,-0.5 2,-0.4 -0.854 14.0-158.3-122.0 156.5 18.6 50.0 17.5 57 101 A E E -FG 43 64B 44 -14,-2.3 -14,-2.4 -2,-0.3 2,-0.4 -0.974 18.0-135.2-138.7 123.1 21.2 48.2 19.5 58 102 A N E > -F 42 0B 52 5,-2.2 4,-1.5 -2,-0.4 -16,-0.2 -0.648 20.6-147.7 -65.8 124.7 23.4 45.2 18.5 59 103 A L T 4 S+ 0 0 79 -18,-2.5 -1,-0.1 -2,-0.4 -17,-0.1 0.655 88.8 45.8 -79.9 -16.3 23.2 42.9 21.6 60 104 A R T 4 S+ 0 0 190 -19,-0.4 -1,-0.2 3,-0.1 -18,-0.1 0.900 126.4 23.7 -89.2 -52.5 26.8 41.5 21.3 61 105 A T T 4 S- 0 0 104 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.644 92.8-134.1 -90.5 -22.6 28.9 44.6 20.6 62 106 A G < + 0 0 39 -4,-1.5 -3,-0.1 1,-0.3 2,-0.0 0.363 48.6 155.1 81.3 -6.5 26.5 47.1 22.2 63 107 A E - 0 0 65 -6,-0.1 -5,-2.2 1,-0.1 2,-0.4 -0.333 31.1-150.2 -56.4 126.6 26.9 49.5 19.2 64 108 A R E -G 57 0B 167 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.854 16.9-179.1-107.8 140.8 23.8 51.7 19.0 65 109 A R E -G 56 0B 106 -9,-2.6 -9,-3.8 -2,-0.4 2,-0.6 -0.962 24.1-139.1-140.8 152.1 22.4 53.1 15.8 66 110 A T E -G 55 0B 84 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.950 21.8-162.9-116.0 107.5 19.5 55.3 14.7 67 111 A L E -G 54 0B 4 -13,-2.8 -13,-2.4 -2,-0.6 2,-0.4 -0.679 8.4-143.6 -86.9 144.6 17.7 54.1 11.5 68 112 A K E -G 53 0B 118 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.861 20.6-169.5-107.1 146.4 15.5 56.5 9.6 69 113 A Y - 0 0 0 -17,-2.4 -66,-0.2 -2,-0.4 3,-0.1 -0.971 36.4-167.6-138.1 149.4 12.3 55.3 7.9 70 114 A D S S+ 0 0 74 -68,-3.1 2,-0.3 1,-0.4 -67,-0.2 0.704 95.2 11.3 -90.7 -37.4 9.6 56.3 5.5 71 115 A K E S-b 3 0A 35 -69,-1.4 -67,-2.1 -19,-0.1 -1,-0.4 -0.993 70.8-155.7-141.3 144.2 7.5 53.2 6.5 72 116 A L E -bd 4 244A 0 171,-2.5 173,-2.9 -2,-0.3 2,-0.5 -0.940 1.7-157.2-119.6 141.5 7.9 50.7 9.3 73 117 A V E -bd 5 245A 0 -69,-2.6 -67,-3.1 -2,-0.4 2,-0.7 -0.975 6.7-155.2-118.0 123.7 6.6 47.2 9.6 74 118 A L E +bd 6 246A 0 171,-2.8 173,-1.4 -2,-0.5 2,-0.3 -0.838 23.8 162.4 -95.9 107.3 6.1 45.6 13.1 75 119 A A + 0 0 2 -69,-2.9 -63,-0.2 -2,-0.7 173,-0.1 -0.592 17.4 151.0-117.3 65.9 6.3 41.8 12.9 76 120 A L - 0 0 12 -2,-0.3 -1,-0.1 171,-0.2 -69,-0.1 0.543 32.3-158.7 -85.7 -10.8 6.8 41.5 16.6 77 121 A G - 0 0 10 170,-0.4 137,-2.4 -3,-0.1 2,-0.2 -0.148 24.1 -75.9 67.5-160.2 5.3 38.0 17.2 78 122 A S E -H 213 0C 13 135,-0.3 2,-0.3 136,-0.1 19,-0.1 -0.752 29.0-127.0-132.1 175.7 4.0 36.8 20.5 79 123 A K E -H 212 0C 118 133,-2.6 133,-2.6 -2,-0.2 2,-0.1 -0.970 33.9-101.1-128.1 145.2 5.4 35.5 23.9 80 124 A A E -H 211 0C 17 -2,-0.3 2,-0.4 131,-0.2 131,-0.2 -0.360 34.7-116.8 -63.0 132.6 4.4 32.3 25.7 81 125 A N - 0 0 70 129,-3.2 128,-0.4 -2,-0.1 -1,-0.1 -0.624 34.1-157.6 -67.1 130.8 2.0 32.7 28.6 82 126 A R - 0 0 118 -2,-0.4 6,-0.0 -3,-0.0 125,-0.0 -0.971 15.3-123.6-121.0 118.8 3.9 31.6 31.7 83 127 A P - 0 0 35 0, 0.0 2,-2.6 0, 0.0 5,-0.1 -0.380 29.4-114.8 -57.4 138.0 2.1 30.4 34.8 84 128 A P S S+ 0 0 141 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.403 75.7 124.7 -77.9 67.6 3.2 32.4 37.9 85 129 A V > - 0 0 34 -2,-2.6 3,-1.0 1,-0.0 97,-0.2 -0.840 67.2 -87.2-130.2 159.7 4.7 29.4 39.5 86 130 A E T 3 S+ 0 0 138 95,-0.5 97,-2.6 -2,-0.3 -1,-0.0 -0.336 104.3 26.1 -70.4 138.9 8.1 28.4 40.8 87 131 A G T > S+ 0 0 9 95,-0.2 3,-1.7 -2,-0.1 -1,-0.2 0.481 70.1 128.8 89.6 4.9 10.8 26.9 38.5 88 132 A M T < S+ 0 0 20 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.336 72.1 61.6 -72.7 10.7 9.6 28.6 35.3 89 133 A D T 3 S+ 0 0 137 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.286 77.6 118.0-114.2 3.3 13.2 29.7 34.9 90 134 A L S X S- 0 0 27 -3,-1.7 3,-1.2 1,-0.1 99,-0.2 -0.357 73.8-102.7 -77.3 153.2 14.9 26.3 34.7 91 135 A A B 3 S+i 189 0D 63 97,-2.7 99,-2.9 1,-0.2 96,-0.1 -0.501 108.7 43.3 -67.7 144.8 16.9 25.1 31.7 92 136 A G T 3 S+ 0 0 31 1,-0.2 113,-2.6 97,-0.2 2,-0.8 0.336 80.4 115.3 96.0 -6.2 14.7 22.7 29.7 93 137 A V E < -j 205 0E 12 -3,-1.2 -1,-0.2 111,-0.2 113,-0.2 -0.873 49.0-172.4 -99.1 105.2 11.5 24.8 29.9 94 138 A T E -j 206 0E 37 111,-3.2 113,-2.0 -2,-0.8 2,-0.1 -0.872 17.8-149.3-117.1 112.3 10.9 25.8 26.4 95 139 A P E -j 207 0E 40 0, 0.0 2,-0.4 0, 0.0 113,-0.2 -0.451 12.0-171.0 -69.3 140.7 8.2 28.2 25.2 96 140 A V + 0 0 3 111,-2.3 29,-0.1 -2,-0.1 30,-0.1 -0.901 14.4 165.6-134.9 106.9 6.8 27.4 21.7 97 141 A T + 0 0 12 -2,-0.4 2,-0.3 -19,-0.1 114,-0.1 0.465 62.7 19.8-101.2 -7.9 4.6 30.2 20.3 98 142 A N S > S- 0 0 36 1,-0.1 4,-2.1 27,-0.0 3,-0.2 -0.984 80.0-100.9-159.3 165.1 4.4 29.3 16.7 99 143 A L H > S+ 0 0 84 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.762 118.8 55.6 -63.9 -31.4 4.8 26.4 14.2 100 144 A D H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 109.0 47.4 -65.4 -43.2 8.2 27.7 13.1 101 145 A E H > S+ 0 0 63 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.881 109.9 54.9 -62.7 -40.2 9.4 27.6 16.7 102 146 A A H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 108.1 47.3 -57.0 -51.7 7.9 24.1 16.9 103 147 A E H X S+ 0 0 42 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 110.0 54.7 -59.3 -41.9 9.9 22.8 13.9 104 148 A F H X S+ 0 0 149 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.952 110.1 44.2 -54.7 -56.5 13.1 24.4 15.4 105 149 A V H >X S+ 0 0 13 -4,-2.4 4,-1.1 1,-0.2 3,-0.9 0.932 112.5 53.8 -56.5 -45.9 12.7 22.5 18.7 106 150 A Q H 3< S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 113.5 41.0 -57.8 -40.9 11.9 19.3 16.9 107 151 A H H 3< S+ 0 0 141 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.487 106.8 62.9 -90.2 -4.1 15.0 19.4 14.7 108 152 A A H << S+ 0 0 59 -4,-1.0 2,-0.2 -3,-0.9 -2,-0.2 0.652 92.7 78.1 -89.8 -20.6 17.3 20.6 17.6 109 153 A I < - 0 0 16 -4,-1.1 2,-0.3 -3,-0.2 3,-0.0 -0.604 64.1-176.5 -81.2 149.3 16.7 17.3 19.5 110 154 A S > - 0 0 55 -2,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.899 39.9 -51.2-141.2 170.5 18.5 14.2 18.4 111 155 A A T 3 S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.2 27,-0.1 -0.084 119.3 3.6 -47.6 128.6 18.5 10.5 19.4 112 156 A G T 3 S+ 0 0 84 25,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.479 97.9 107.2 78.9 5.0 18.9 9.7 23.1 113 157 A E S < S+ 0 0 112 -3,-1.9 2,-0.4 1,-0.1 -2,-0.1 0.861 76.5 40.9 -80.7 -41.4 18.9 13.4 24.3 114 158 A V + 0 0 27 -4,-0.4 -2,-0.2 1,-0.1 -1,-0.1 -0.916 50.7 173.0-116.2 135.7 15.4 13.6 25.9 115 159 A S S S+ 0 0 79 -2,-0.4 25,-1.3 1,-0.3 2,-0.4 0.788 73.4 24.3-105.6 -51.3 13.8 10.9 28.1 116 160 A K E -k 140 0E 71 23,-0.1 88,-1.9 2,-0.0 87,-1.6 -0.977 61.1-173.8-127.9 128.7 10.7 12.6 29.3 117 161 A A E -kl 141 204E 0 23,-2.9 25,-1.8 -2,-0.4 2,-0.5 -0.964 4.1-167.7-114.1 128.9 8.7 15.4 27.8 118 162 A V E -kl 142 205E 1 86,-2.4 88,-2.3 -2,-0.4 2,-0.6 -0.982 10.1-154.4-111.9 126.5 5.7 17.1 29.4 119 163 A I E -kl 143 206E 0 23,-3.5 25,-2.8 -2,-0.5 2,-0.9 -0.892 3.5-153.5-100.9 119.3 3.7 19.5 27.2 120 164 A V E S+kl 144 207E 13 86,-3.1 88,-2.8 -2,-0.6 25,-0.2 -0.844 71.3 33.3 -94.5 103.2 1.8 22.2 29.1 121 165 A G - 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