==== 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 TRANSFERASE 25-JUN-99 1QS4 . COMPND 2 MOLECULE: PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49)); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.GOLDGUR,R.CRAIGIE,T.FUJIWARA,T YOSHINAGA,D.R.DAVIES . 453 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 3 0.7 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 . 25 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 0 0 0 0 1 2 1 2 1 5 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 2 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 . 0 0 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 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 56 A C 0 0 118 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.5 1.2 30.0 58.3 2 57 A S > - 0 0 59 1,-0.1 3,-1.1 2,-0.1 23,-0.4 -0.204 360.0-132.0 -55.3 142.7 1.9 26.7 56.4 3 58 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 143,-0.1 0.602 103.1 54.9 -72.6 -13.3 0.4 26.6 52.9 4 59 A G T 3 S+ 0 0 6 51,-0.1 53,-2.5 49,-0.1 52,-2.4 0.278 83.3 106.5-104.8 11.3 -1.2 23.2 53.4 5 60 A I E < +a 57 0A 30 -3,-1.1 20,-0.5 51,-0.2 19,-0.5 -0.801 43.6 176.2 -97.4 126.3 -3.1 24.1 56.5 6 61 A W E -a 58 0A 0 51,-3.3 53,-2.7 -2,-0.5 2,-0.4 -0.888 19.8-146.3-125.2 156.9 -6.9 24.5 56.3 7 62 A Q E -aB 59 22A 3 15,-2.5 15,-2.9 -2,-0.3 2,-0.3 -0.990 16.7-168.5-125.2 128.5 -9.6 25.1 58.9 8 63 A L E + B 0 21A 3 51,-2.1 53,-0.4 -2,-0.4 2,-0.3 -0.907 16.5 146.0-119.9 147.7 -13.1 23.7 58.5 9 64 A D E - B 0 20A 30 11,-2.2 11,-3.3 -2,-0.3 2,-0.4 -0.972 36.6-114.4-168.2 163.6 -16.4 24.4 60.3 10 65 A C E + B 0 19A 11 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.878 24.7 176.8-113.7 143.1 -20.1 24.6 59.9 11 66 A T E - B 0 18A 11 7,-2.5 7,-2.7 -2,-0.4 2,-0.3 -0.735 19.3-134.2-127.9 178.6 -22.4 27.6 60.1 12 67 A H E + B 0 17A 90 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.992 21.9 170.4-144.4 149.1 -26.2 27.7 59.5 13 68 A L E > S- B 0 16A 47 3,-1.6 3,-1.7 -2,-0.3 101,-0.0 -0.949 73.8 -0.5-156.7 133.7 -28.8 29.8 57.6 14 69 A E T 3 S- 0 0 109 -2,-0.3 3,-0.1 1,-0.3 100,-0.1 0.822 128.1 -59.0 56.5 33.5 -32.4 29.3 56.9 15 70 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.709 112.9 117.6 70.6 18.6 -32.3 25.9 58.7 16 71 A K E < -B 13 0A 85 -3,-1.7 -3,-1.6 20,-0.0 2,-0.5 -0.850 65.4-117.4-117.7 155.6 -29.6 24.6 56.4 17 72 A V E -BC 12 34A 20 17,-0.7 17,-2.4 -2,-0.3 2,-0.6 -0.797 21.6-165.6 -95.5 127.8 -26.1 23.5 57.0 18 73 A I E -BC 11 33A 0 -7,-2.7 -7,-2.5 -2,-0.5 2,-0.6 -0.950 8.7-153.1-113.9 114.2 -23.2 25.4 55.4 19 74 A L E -BC 10 32A 0 13,-3.2 13,-2.0 -2,-0.6 2,-0.4 -0.785 16.6-164.3 -89.4 122.2 -19.8 23.6 55.4 20 75 A V E -BC 9 31A 1 -11,-3.3 -11,-2.2 -2,-0.6 2,-0.4 -0.877 13.0-172.0-112.9 139.5 -16.9 26.1 55.3 21 76 A A E -BC 8 30A 0 9,-3.0 9,-2.2 -2,-0.4 2,-0.4 -0.997 8.3-168.3-129.1 131.2 -13.2 25.6 54.6 22 77 A V E -BC 7 29A 0 -15,-2.9 -15,-2.5 -2,-0.4 2,-1.2 -0.974 22.0-141.9-125.8 135.2 -10.7 28.3 55.0 23 78 A H E >>> - C 0 28A 0 5,-2.9 4,-3.7 -2,-0.4 3,-1.7 -0.780 20.8-159.2 -94.2 91.6 -7.0 28.4 53.8 24 79 A V T 345S+ 0 0 38 -2,-1.2 -1,-0.2 -19,-0.5 -18,-0.1 0.772 84.3 56.3 -41.6 -42.1 -5.6 30.2 56.9 25 80 A A T 345S+ 0 0 28 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.828 125.4 18.8 -65.9 -31.9 -2.5 31.4 55.1 26 81 A S T <45S- 0 0 5 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.720 93.6-124.3-110.2 -29.2 -4.4 33.3 52.3 27 82 A G T <5 + 0 0 19 -4,-3.7 -3,-0.2 1,-0.3 111,-0.1 0.380 58.5 150.6 95.9 -3.4 -7.9 33.7 53.7 28 83 A Y E < -C 23 0A 1 -5,-0.6 -5,-2.9 110,-0.3 -1,-0.3 -0.330 27.9-160.5 -60.5 141.4 -9.3 32.0 50.6 29 84 A I E -C 22 0A 1 -7,-0.2 2,-0.3 93,-0.2 -7,-0.2 -0.904 22.1-171.6-130.8 159.7 -12.5 30.1 51.3 30 85 A E E +C 21 0A 7 -9,-2.2 -9,-3.0 -2,-0.3 2,-0.3 -0.976 19.8 169.6-141.1 140.8 -14.7 27.4 49.9 31 86 A A E -C 20 0A 6 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.990 10.4-178.9-153.2 158.0 -18.1 26.6 51.2 32 87 A E E -C 19 0A 31 -13,-2.0 -13,-3.2 -2,-0.3 2,-0.4 -0.969 31.6-116.7-162.5 144.4 -21.2 24.6 50.4 33 88 A V E -C 18 0A 11 -2,-0.3 -15,-0.2 -15,-0.3 -21,-0.0 -0.695 37.7-161.9 -79.3 129.3 -24.6 23.9 51.7 34 89 A I E -C 17 0A 8 -17,-2.4 -17,-0.7 -2,-0.4 3,-0.1 -0.926 26.7-121.3-117.7 145.1 -24.8 20.2 52.6 35 90 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 93.3 0.3 -49.4 -36.7 -28.0 18.1 53.0 36 91 A A S S- 0 0 41 2,-0.1 2,-2.0 -20,-0.1 5,-0.1 -0.990 73.4-108.8-156.5 151.3 -27.0 17.2 56.6 37 92 A E S S+ 0 0 80 -2,-0.3 2,-0.2 4,-0.1 28,-0.1 -0.426 71.0 132.2 -81.1 65.8 -24.2 17.8 59.1 38 93 A T S > S- 0 0 58 -2,-2.0 4,-2.0 27,-0.1 5,-0.2 -0.708 70.8-113.8-117.6 166.6 -22.7 14.3 59.0 39 94 A G H > S+ 0 0 8 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.850 114.5 58.2 -65.1 -34.3 -19.3 12.7 58.6 40 95 A Q H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.972 111.4 39.1 -60.3 -53.8 -20.3 11.3 55.2 41 96 A E H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.824 116.8 52.2 -66.2 -31.0 -21.1 14.7 53.7 42 97 A T H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.883 109.2 49.5 -72.0 -38.0 -18.1 16.2 55.5 43 98 A A H X S+ 0 0 8 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.891 110.3 50.8 -66.4 -40.6 -15.8 13.5 54.1 44 99 A Y H X S+ 0 0 23 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.929 109.7 49.6 -63.7 -45.9 -17.1 14.0 50.6 45 100 A F H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.893 112.3 49.1 -59.5 -41.8 -16.5 17.8 50.8 46 101 A L H X S+ 0 0 4 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.882 106.0 54.3 -67.4 -43.3 -13.0 17.2 52.0 47 102 A L H X S+ 0 0 14 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.897 111.2 47.2 -58.9 -40.0 -12.1 14.7 49.3 48 103 A K H < S+ 0 0 12 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.930 112.5 48.8 -66.6 -45.8 -13.1 17.3 46.7 49 104 A L H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-1.2 0.923 112.3 48.6 -59.4 -46.0 -11.2 20.0 48.5 50 105 A A H 3< S+ 0 0 2 -4,-3.2 5,-0.4 1,-0.3 -1,-0.2 0.829 105.2 57.2 -65.3 -33.8 -8.1 17.8 48.7 51 106 A G T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.565 114.0 42.9 -74.7 -3.5 -8.2 16.8 45.0 52 107 A R T <4 S+ 0 0 29 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.773 121.5 18.8-108.4 -41.7 -8.1 20.5 44.3 53 108 A W S < S- 0 0 2 -4,-2.2 2,-1.7 -5,-0.1 -1,-0.2 -0.805 90.8 -87.8-128.3 169.8 -5.4 22.0 46.6 54 109 A P - 0 0 44 0, 0.0 2,-0.9 0, 0.0 -4,-0.1 -0.618 49.6-174.5 -80.3 87.3 -2.5 20.6 48.6 55 110 A V + 0 0 5 -2,-1.7 -50,-0.1 -5,-0.4 3,-0.1 -0.766 19.8 153.4 -88.7 109.1 -4.5 19.8 51.8 56 111 A K + 0 0 123 -52,-2.4 25,-3.0 -2,-0.9 2,-0.4 0.831 64.0 18.4-100.9 -44.4 -2.0 18.7 54.4 57 112 A T E -ad 5 81A 19 -53,-2.5 -51,-3.3 23,-0.2 2,-0.5 -0.995 58.8-163.2-136.1 134.1 -3.6 19.5 57.8 58 113 A V E -ad 6 82A 5 23,-2.3 25,-2.3 -2,-0.4 2,-0.5 -0.963 7.7-158.8-118.6 122.9 -7.2 20.3 58.7 59 114 A H E +ad 7 83A 48 -53,-2.7 -51,-2.1 -2,-0.5 2,-0.3 -0.867 25.6 150.9-101.3 129.6 -8.1 22.0 62.0 60 115 A T - 0 0 10 23,-2.4 -51,-0.1 -2,-0.5 2,-0.1 -0.914 43.0-102.7-147.0 172.2 -11.7 21.6 63.4 61 116 A D - 0 0 59 -53,-0.4 24,-0.1 -2,-0.3 22,-0.0 -0.221 54.7 -85.4 -86.3-174.9 -13.6 21.5 66.6 62 117 A N + 0 0 130 22,-0.1 5,-0.2 -2,-0.1 -1,-0.1 0.120 69.5 156.7 -83.7 25.3 -14.9 18.3 68.1 63 118 A G > - 0 0 15 1,-0.2 4,-1.5 3,-0.1 3,-0.3 -0.201 52.4-122.8 -50.0 138.4 -18.0 18.3 66.0 64 119 A S H > S+ 0 0 101 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.785 113.0 54.2 -56.8 -30.3 -19.3 14.8 65.7 65 120 A N H 4 S+ 0 0 9 1,-0.2 3,-0.4 2,-0.2 6,-0.3 0.911 110.6 46.1 -70.8 -39.8 -19.1 15.1 61.9 66 121 A F H 4 S+ 0 0 5 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.685 116.3 43.9 -75.2 -20.7 -15.5 16.0 62.1 67 122 A T H < S+ 0 0 68 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.423 87.5 121.1-102.6 -2.0 -14.6 13.3 64.6 68 123 A S S X S- 0 0 26 -4,-0.6 4,-1.5 -3,-0.4 3,-0.3 -0.165 73.1-120.2 -60.7 154.9 -16.5 10.6 62.8 69 124 A T H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.829 110.5 61.5 -66.0 -31.4 -14.7 7.5 61.6 70 125 A T H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 105.8 45.1 -64.8 -37.4 -15.7 8.2 58.0 71 126 A V H > S+ 0 0 4 -6,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.858 109.7 56.6 -73.3 -33.6 -13.9 11.5 57.9 72 127 A K H X S+ 0 0 119 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.914 108.0 47.9 -61.6 -42.2 -10.9 9.8 59.6 73 128 A A H X S+ 0 0 57 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.920 110.0 51.5 -64.7 -45.2 -10.8 7.3 56.7 74 129 A A H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.917 110.5 49.0 -58.7 -45.2 -11.0 10.1 54.1 75 130 A C H <>S+ 0 0 0 -4,-2.5 5,-4.1 2,-0.2 -1,-0.2 0.847 111.6 49.5 -63.8 -35.6 -8.1 12.0 55.8 76 131 A E H ><5S+ 0 0 141 -4,-1.8 3,-1.6 3,-0.2 -2,-0.2 0.960 111.3 48.0 -67.4 -51.8 -6.0 8.8 55.9 77 132 A W H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.907 116.9 43.7 -54.2 -45.3 -6.7 8.0 52.2 78 133 A G T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.383 113.7-116.3 -84.5 4.0 -5.8 11.6 51.3 79 134 A G T < 5 + 0 0 53 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.857 61.9 154.1 64.8 36.9 -2.8 11.8 53.5 80 135 A I < - 0 0 17 -5,-4.1 2,-0.4 -6,-0.2 -1,-0.2 -0.841 38.5-141.4-105.1 133.4 -4.3 14.5 55.7 81 136 A K E -d 57 0A 100 -25,-3.0 -23,-2.3 -2,-0.4 2,-0.4 -0.765 17.7-145.0 -91.7 131.8 -3.5 15.2 59.3 82 137 A Q E -d 58 0A 44 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.805 14.3-173.3-102.4 140.2 -6.4 16.1 61.6 83 138 A E E +d 59 0A 66 -25,-2.3 -23,-2.4 -2,-0.4 -2,-0.0 -0.991 14.5 171.8-132.3 122.7 -6.2 18.5 64.5 84 139 A F 0 0 86 -2,-0.4 -22,-0.1 -25,-0.2 -1,-0.1 0.339 360.0 360.0-109.2 3.2 -9.0 19.1 67.0 85 140 A G 0 0 93 -24,-0.1 -2,-0.1 -23,-0.0 -23,-0.0 0.261 360.0 360.0-122.7 360.0 -7.1 21.2 69.4 86 ! 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 87 145 A P 0 0 166 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.5 -2.4 35.0 65.9 88 146 A Q > + 0 0 125 1,-0.1 3,-0.7 3,-0.0 4,-0.3 0.537 360.0 152.3 61.3 6.5 -6.2 35.6 66.0 89 147 A S T 3 + 0 0 74 1,-0.2 2,-2.5 2,-0.2 -1,-0.1 0.037 53.5 29.1 -59.1 174.2 -6.5 32.0 64.8 90 148 A Q T 3> S+ 0 0 94 1,-0.3 4,-0.5 -3,-0.1 -1,-0.2 0.088 117.8 62.9 61.3 -31.4 -9.5 29.7 65.6 91 149 A G H <> S+ 0 0 17 -2,-2.5 4,-2.6 -3,-0.7 -1,-0.3 0.557 87.6 73.1 -91.3 -12.8 -11.4 33.0 65.7 92 150 A V H > S+ 0 0 31 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.908 95.9 48.0 -64.3 -43.7 -10.4 33.3 62.1 93 151 A I H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 111.2 51.7 -66.1 -34.8 -13.0 30.6 61.3 94 152 A E H X S+ 0 0 111 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.915 112.0 45.5 -67.7 -42.9 -15.5 32.5 63.4 95 153 A S H X S+ 0 0 49 -4,-2.6 4,-3.6 2,-0.2 -2,-0.2 0.932 113.8 49.0 -64.7 -47.6 -14.9 35.7 61.5 96 154 A M H X S+ 0 0 31 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.914 110.1 51.0 -59.1 -45.9 -15.0 34.0 58.2 97 155 A N H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.944 115.5 43.0 -56.4 -48.9 -18.3 32.2 59.0 98 156 A K H X S+ 0 0 123 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.924 113.7 50.5 -64.1 -45.7 -19.7 35.6 60.1 99 157 A E H X S+ 0 0 71 -4,-3.6 4,-2.5 1,-0.2 5,-0.2 0.918 110.7 50.7 -58.5 -44.1 -18.2 37.4 57.0 100 158 A L H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.923 108.2 50.5 -60.1 -47.1 -19.7 34.7 54.8 101 159 A K H X S+ 0 0 79 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.827 110.4 53.9 -61.4 -29.7 -23.2 35.0 56.3 102 160 A K H X S+ 0 0 110 -4,-1.8 4,-1.8 2,-0.2 3,-0.3 0.987 110.2 42.2 -66.5 -61.2 -22.8 38.7 55.7 103 161 A I H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.887 113.2 55.0 -53.9 -41.1 -22.0 38.6 52.0 104 162 A I H X S+ 0 0 2 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.3 0.911 104.9 54.6 -59.0 -40.5 -24.7 35.9 51.7 105 163 A G H < S+ 0 0 49 -4,-1.7 3,-0.4 -3,-0.3 4,-0.3 0.895 107.2 49.6 -59.4 -41.4 -27.1 38.4 53.2 106 164 A Q H < S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 121.2 32.7 -69.8 -30.1 -26.3 41.1 50.7 107 165 A V H >< S+ 0 0 13 -4,-1.6 3,-1.6 -3,-0.3 4,-0.3 0.341 86.5 106.3-109.4 5.7 -26.8 38.8 47.7 108 166 A R G >< S+ 0 0 52 -4,-1.0 3,-0.7 -3,-0.4 -1,-0.1 0.795 79.6 50.3 -56.4 -33.2 -29.5 36.6 49.0 109 167 A D G 3 S+ 0 0 147 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.565 96.3 71.0 -84.2 -7.6 -32.2 38.1 46.9 110 168 A Q G < S+ 0 0 123 -3,-1.6 2,-0.3 7,-0.0 -1,-0.2 0.484 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