==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-09 2KQ3 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.WANG,Y.FENG,H.YAO,J.WANG . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 17.9 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 3 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 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 1 A A 0 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.1 -0.4 33.1 -8.2 2 2 A T + 0 0 150 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.249 360.0 14.0-161.6 -49.5 -4.0 32.2 -9.2 3 3 A S + 0 0 72 1,-0.1 -1,-0.1 0, 0.0 3,-0.1 -0.979 43.1 162.1-147.5 130.8 -4.8 28.5 -8.6 4 4 A T + 0 0 136 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.017 49.9 104.8-135.8 28.9 -3.0 25.9 -6.5 5 5 A K + 0 0 175 3,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.430 46.5 155.6-109.1 56.2 -5.7 23.3 -6.1 6 6 A K + 0 0 183 -2,-0.3 -2,-0.0 -3,-0.1 0, 0.0 -0.448 47.9 7.3 -81.6 156.0 -4.4 20.7 -8.5 7 7 A L S S- 0 0 119 -2,-0.1 2,-0.2 1,-0.1 0, 0.0 0.021 70.4-133.5 64.4-178.3 -5.3 17.0 -8.3 8 8 A H - 0 0 172 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.702 17.1-171.9-177.1 120.5 -7.9 15.6 -5.8 9 9 A K - 0 0 104 -2,-0.2 66,-0.1 66,-0.1 64,-0.0 -0.775 17.2-133.0-116.7 162.1 -7.9 12.6 -3.5 10 10 A E E -A 74 0A 110 64,-0.8 64,-1.7 -2,-0.3 2,-0.1 -0.957 17.8-138.5-119.0 131.9 -10.6 11.0 -1.3 11 11 A P E +A 73 0A 74 0, 0.0 2,-0.3 0, 0.0 62,-0.3 -0.299 23.6 175.3 -81.5 168.8 -10.1 10.0 2.4 12 12 A A E -A 72 0A 10 60,-3.8 60,-1.5 15,-0.1 2,-0.3 -0.978 22.9-121.9-164.1 168.8 -11.3 6.9 4.1 13 13 A T - 0 0 87 13,-0.3 13,-2.8 -2,-0.3 2,-0.8 -0.917 31.2-106.8-123.6 149.5 -11.3 4.9 7.3 14 14 A L E -B 25 0A 20 -2,-0.3 11,-0.3 11,-0.2 3,-0.2 -0.634 29.7-177.1 -77.4 108.3 -10.1 1.4 8.1 15 15 A I E S- 0 0 65 9,-1.4 2,-0.3 -2,-0.8 -1,-0.2 0.915 71.4 -21.9 -69.9 -43.3 -13.3 -0.8 8.6 16 16 A K E -B 24 0A 142 8,-1.2 8,-2.9 -3,-0.1 2,-0.3 -0.891 65.7-114.9-169.5 136.6 -11.2 -3.8 9.5 17 17 A A E -B 23 0A 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.0 -0.589 25.2-176.3 -78.8 133.7 -7.7 -5.1 8.9 18 18 A I - 0 0 72 4,-0.8 5,-0.2 -2,-0.3 -1,-0.2 0.913 55.9 -62.4 -90.8 -73.7 -7.3 -8.2 6.7 19 19 A D S S- 0 0 117 3,-2.0 44,-0.2 1,-0.1 4,-0.0 0.183 82.6 -47.8-140.9 -94.3 -3.6 -9.1 6.6 20 20 A G S S+ 0 0 0 42,-0.1 -2,-0.1 43,-0.1 -1,-0.1 0.582 127.2 14.7-118.3 -85.9 -0.8 -7.0 5.2 21 21 A D S S+ 0 0 6 14,-0.1 15,-1.9 15,-0.1 2,-0.4 0.749 119.8 77.2 -65.9 -22.8 -1.3 -5.4 1.8 22 22 A T E + C 0 35A 41 13,-0.3 -3,-2.0 14,-0.1 -4,-0.8 -0.772 58.6 153.4 -94.7 131.6 -5.0 -6.2 2.2 23 23 A V E -BC 17 34A 0 11,-3.1 11,-3.8 -2,-0.4 2,-0.5 -0.987 42.7-115.1-155.1 145.7 -7.2 -4.1 4.4 24 24 A K E -BC 16 33A 55 -8,-2.9 -9,-1.4 -2,-0.3 -8,-1.2 -0.734 36.9-175.2 -87.7 123.8 -10.8 -3.1 4.6 25 25 A L E -BC 14 32A 0 7,-3.3 7,-3.3 -2,-0.5 2,-0.9 -0.833 31.3-107.0-118.6 156.9 -11.5 0.6 4.0 26 26 A M E + C 0 31A 81 -13,-2.8 2,-0.5 -2,-0.3 -13,-0.3 -0.727 44.6 169.5 -86.0 107.7 -14.6 2.7 4.2 27 27 A Y E > - C 0 30A 59 3,-3.7 3,-1.1 -2,-0.9 -15,-0.1 -0.975 66.8 -11.7-124.1 122.6 -15.7 3.6 0.7 28 28 A K T 3 S- 0 0 156 -2,-0.5 -1,-0.2 1,-0.3 -16,-0.0 0.917 127.4 -56.2 58.8 44.9 -19.1 5.2 -0.1 29 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.708 124.7 99.8 60.9 18.6 -20.3 4.6 3.4 30 30 A Q E < S-C 27 0A 77 -3,-1.1 -3,-3.7 -5,-0.0 2,-0.6 -0.941 80.1-105.7-134.8 156.1 -19.6 0.9 2.8 31 31 A P E +C 26 0A 69 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.720 40.6 178.4 -86.4 119.5 -16.7 -1.5 3.7 32 32 A M E -C 25 0A 64 -7,-3.3 -7,-3.3 -2,-0.6 2,-0.7 -0.900 32.0-115.2-121.6 150.2 -14.4 -2.3 0.7 33 33 A T E -C 24 0A 15 -2,-0.3 55,-1.9 -9,-0.2 2,-0.3 -0.748 35.8-169.7 -87.6 112.5 -11.3 -4.5 0.5 34 34 A F E -Cd 23 88A 0 -11,-3.8 -11,-3.1 -2,-0.7 2,-0.4 -0.706 4.4-156.6-101.8 153.2 -8.3 -2.4 -0.3 35 35 A R E -Cd 22 89A 84 53,-2.8 2,-2.1 -2,-0.3 55,-0.9 -0.986 32.0-104.8-132.6 141.9 -4.8 -3.7 -1.3 36 36 A L E > - d 0 90A 0 -15,-1.9 3,-1.6 -2,-0.4 55,-0.2 -0.398 51.4-134.8 -63.6 83.7 -1.4 -2.1 -1.1 37 37 A L T 3 S+ 0 0 8 -2,-2.1 3,-0.1 53,-1.4 55,-0.1 0.040 79.1 1.4 -41.0 147.9 -1.2 -1.5 -4.9 38 38 A L T 3 S+ 0 0 8 75,-0.3 74,-0.5 1,-0.2 2,-0.4 0.736 106.7 128.4 37.8 33.0 2.1 -2.4 -6.6 39 39 A V B < -F 111 0B 15 -3,-1.6 2,-0.4 72,-0.2 72,-0.2 -0.907 57.8-128.8-117.9 144.9 3.3 -3.7 -3.2 40 40 A D - 0 0 43 70,-1.9 70,-0.2 -2,-0.4 71,-0.0 -0.767 20.4-153.3 -94.4 133.4 4.8 -7.0 -2.3 41 41 A T - 0 0 47 -2,-0.4 68,-0.1 68,-0.1 18,-0.0 -0.757 29.4-112.4-104.8 151.4 3.4 -9.1 0.6 42 42 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.755 38.7-147.3 -50.1 -25.7 5.2 -11.7 2.7 43 43 A E + 0 0 158 1,-0.2 2,-0.1 12,-0.1 -2,-0.0 0.815 52.4 131.5 59.1 30.9 2.9 -14.2 1.1 44 44 A T - 0 0 50 1,-0.1 -1,-0.2 11,-0.0 11,-0.1 -0.233 45.9-161.9 -99.6-169.0 3.0 -16.2 4.4 45 45 A K - 0 0 187 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.461 66.3 -43.6-139.1 -63.0 0.3 -17.7 6.5 46 46 A H - 0 0 168 9,-0.0 9,-0.0 2,-0.0 -2,-0.0 -0.089 61.6-174.3-179.6 64.4 1.3 -18.5 10.1 47 47 A P - 0 0 47 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.189 35.6 -90.5 -65.8 160.6 4.8 -20.1 10.5 48 48 A K - 0 0 184 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.204 61.3 -70.3 -57.4-172.4 6.1 -21.4 13.8 49 49 A K S S+ 0 0 201 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.796 123.6 35.4 -54.5 -28.9 8.1 -19.2 16.2 50 50 A G S S+ 0 0 40 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.270 80.2 74.6-110.3-162.2 10.9 -19.5 13.7 51 51 A V S S+ 0 0 117 -2,-0.1 0, 0.0 -4,-0.1 0, 0.0 0.639 87.3 35.2 64.0 132.0 11.2 -19.7 9.9 52 52 A E - 0 0 75 1,-0.1 -8,-0.0 3,-0.1 0, 0.0 0.885 64.8-147.5 58.9 106.1 10.7 -16.6 7.7 53 53 A K S S+ 0 0 163 2,-0.1 4,-0.2 86,-0.1 2,-0.1 0.778 81.3 61.8 -72.0 -27.3 12.0 -13.4 9.4 54 54 A Y + 0 0 88 1,-0.1 54,-0.0 85,-0.1 85,-0.0 -0.426 67.4 75.7 -94.6 171.9 9.3 -11.4 7.8 55 55 A G S > S+ 0 0 1 -2,-0.1 4,-2.8 53,-0.1 5,-0.3 -0.798 90.4 43.0 133.6 -93.3 5.5 -11.7 8.0 56 56 A P H > S+ 0 0 83 0, 0.0 4,-3.8 0, 0.0 5,-0.3 0.903 115.8 51.5 -54.5 -45.2 3.9 -10.3 11.2 57 57 A E H > S+ 0 0 124 -4,-0.2 4,-2.2 1,-0.2 5,-0.2 0.878 112.6 46.2 -60.7 -39.1 6.1 -7.2 11.2 58 58 A A H > S+ 0 0 4 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.921 119.2 39.2 -70.1 -45.4 5.1 -6.6 7.5 59 59 A S H X S+ 0 0 26 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.898 118.1 49.0 -71.3 -42.2 1.4 -7.1 8.1 60 60 A A H X S+ 0 0 48 -4,-3.8 4,-2.9 -5,-0.3 -3,-0.2 0.935 107.3 54.9 -63.0 -48.8 1.4 -5.4 11.5 61 61 A F H X S+ 0 0 47 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.935 105.7 51.1 -50.4 -55.1 3.2 -2.3 10.2 62 62 A T H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.3 -1,-0.2 0.892 116.6 41.4 -51.6 -42.9 0.7 -1.7 7.5 63 63 A K H X S+ 0 0 87 -4,-1.5 4,-2.8 -44,-0.2 5,-0.3 0.809 108.9 62.0 -74.6 -30.7 -2.1 -1.9 10.0 64 64 A K H X S+ 0 0 104 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.923 106.3 43.7 -60.3 -47.8 0.0 0.1 12.5 65 65 A M H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.951 117.8 43.0 -64.3 -52.5 0.1 3.2 10.3 66 66 A V H < S+ 0 0 3 -4,-1.5 -52,-0.2 -5,-0.2 -2,-0.2 0.910 118.9 44.8 -61.5 -44.2 -3.5 3.2 9.3 67 67 A E H < S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.917 117.5 43.6 -66.9 -44.5 -4.7 2.4 12.8 68 68 A N H < S+ 0 0 108 -4,-2.6 2,-0.5 -5,-0.3 -2,-0.2 0.815 98.7 88.0 -70.4 -30.7 -2.4 5.0 14.4 69 69 A A S < S- 0 0 9 -4,-2.5 3,-0.0 -5,-0.2 27,-0.0 -0.586 72.4-148.3 -74.4 120.6 -3.3 7.5 11.7 70 70 A K S S+ 0 0 198 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.714 86.9 31.0 -59.8 -20.0 -6.4 9.5 12.7 71 71 A K S S- 0 0 134 -58,-0.1 24,-2.2 2,-0.0 25,-0.4 -1.000 70.2-156.0-143.8 141.0 -7.2 9.6 8.9 72 72 A I E -A 12 0A 3 -60,-1.5 -60,-3.8 -2,-0.3 2,-0.4 -0.908 7.2-162.8-117.7 144.1 -6.6 7.3 6.0 73 73 A E E -A 11 0A 45 20,-0.5 20,-3.0 -2,-0.4 2,-0.4 -0.981 1.6-163.6-128.9 138.5 -6.3 8.2 2.3 74 74 A V E -AE 10 92A 13 -64,-1.7 -64,-0.8 -2,-0.4 2,-0.5 -0.952 4.3-166.1-123.8 141.9 -6.6 6.0 -0.8 75 75 A E E - E 0 91A 33 16,-0.8 16,-1.1 -2,-0.4 45,-0.1 -0.938 13.7-149.2-129.6 109.5 -5.6 6.7 -4.4 76 76 A F E - E 0 90A 36 -2,-0.5 14,-0.2 14,-0.2 6,-0.1 -0.345 24.2-107.4 -73.8 156.1 -6.9 4.3 -7.1 77 77 A D - 0 0 6 12,-1.5 41,-0.2 1,-0.1 -1,-0.1 0.091 20.3-118.6 -69.3-172.4 -4.8 3.7 -10.3 78 78 A K S S+ 0 0 117 39,-0.6 40,-0.2 3,-0.0 -1,-0.1 0.469 98.5 49.3-109.1 -8.1 -5.6 5.0 -13.7 79 79 A G S S- 0 0 29 36,-0.1 37,-0.1 37,-0.0 -3,-0.0 0.793 128.8 -19.2 -94.5 -94.9 -6.1 1.7 -15.4 80 80 A Q - 0 0 93 1,-0.1 -4,-0.0 9,-0.0 9,-0.0 0.920 60.5-169.0 -83.7 -51.2 -8.3 -1.0 -13.9 81 81 A R S S+ 0 0 115 8,-0.1 8,-1.7 7,-0.1 2,-0.3 0.316 73.9 53.2 75.3 -9.8 -8.5 0.3 -10.3 82 82 A T S S- 0 0 71 6,-0.2 6,-0.1 -6,-0.1 -6,-0.0 -0.880 73.3-151.3-159.3 121.8 -10.1 -3.1 -9.4 83 83 A D > - 0 0 38 4,-0.3 3,-2.8 -2,-0.3 6,-0.0 -0.058 49.9 -72.4 -80.8-173.4 -8.9 -6.6 -10.2 84 84 A K T 3 S+ 0 0 190 1,-0.3 -1,-0.0 2,-0.2 0, 0.0 0.909 137.3 48.3 -45.9 -53.2 -11.0 -9.8 -10.7 85 85 A Y T 3 S- 0 0 188 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.457 116.1-119.0 -70.0 0.5 -11.9 -9.9 -7.0 86 86 A G < + 0 0 21 -3,-2.8 -53,-0.2 1,-0.1 -2,-0.2 0.727 55.2 169.6 67.3 20.5 -12.8 -6.2 -7.3 87 87 A R - 0 0 80 1,-0.1 2,-0.9 -55,-0.1 -4,-0.3 -0.005 44.7 -89.0 -57.6 169.0 -10.1 -5.5 -4.7 88 88 A G E -d 34 0A 2 -55,-1.9 -53,-2.8 -65,-0.1 2,-1.7 -0.750 34.1-164.6 -90.2 105.9 -8.9 -2.0 -4.0 89 89 A L E +d 35 0A 4 -8,-1.7 -12,-1.5 -2,-0.9 2,-0.3 -0.521 53.2 99.0 -87.4 69.8 -6.1 -1.0 -6.3 90 90 A A E S-dE 36 76A 0 -2,-1.7 -53,-1.4 -55,-0.9 2,-0.4 -0.948 74.7-100.0-147.8 167.2 -5.0 2.1 -4.4 91 91 A Y E - E 0 75A 0 -16,-1.1 -16,-0.8 -2,-0.3 2,-0.6 -0.773 31.9-135.7 -94.8 134.4 -2.4 3.2 -1.9 92 92 A I E - E 0 74A 0 -2,-0.4 7,-3.0 -18,-0.2 8,-0.7 -0.795 21.1-160.1 -93.7 122.3 -3.4 3.5 1.8 93 93 A Y E -G 98 0C 14 -20,-3.0 -20,-0.5 -2,-0.6 2,-0.4 -0.619 5.8-158.9 -99.0 160.3 -2.2 6.7 3.5 94 94 A A E > S-G 97 0C 4 3,-3.2 3,-0.6 -2,-0.2 -22,-0.2 -0.926 74.5 -17.4-144.1 114.7 -1.8 7.4 7.2 95 95 A D T 3 S- 0 0 126 -24,-2.2 -23,-0.1 -2,-0.4 3,-0.1 0.612 135.2 -43.7 67.9 11.5 -1.8 10.8 8.8 96 96 A G T 3 S+ 0 0 39 -25,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.551 120.3 102.1 109.0 12.2 -1.0 12.2 5.4 97 97 A K E < S-G 94 0C 138 -3,-0.6 -3,-3.2 -32,-0.1 2,-0.6 -0.994 76.4-113.3-132.4 133.3 1.6 9.7 4.2 98 98 A M E >> -G 93 0C 39 -2,-0.4 4,-1.2 -5,-0.3 3,-0.5 -0.489 20.6-156.7 -66.3 110.9 1.1 6.7 1.9 99 99 A V H 3> S+ 0 0 0 -7,-3.0 4,-2.0 -2,-0.6 5,-0.2 0.840 90.5 64.7 -56.3 -35.2 1.6 3.6 4.0 100 100 A N H 3> S+ 0 0 0 -8,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.928 100.3 49.5 -54.7 -48.7 2.6 1.7 0.8 101 101 A E H <> S+ 0 0 53 -3,-0.5 4,-3.2 1,-0.2 -1,-0.3 0.839 106.9 58.9 -60.2 -33.4 5.7 3.9 0.4 102 102 A A H X S+ 0 0 12 -4,-1.2 4,-3.4 2,-0.2 5,-0.3 0.977 109.2 39.6 -60.1 -58.9 6.5 3.2 4.0 103 103 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 6,-1.7 0.897 119.8 48.2 -57.9 -42.0 6.7 -0.6 3.7 104 104 A V H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.887 117.6 40.6 -65.7 -41.4 8.4 -0.2 0.3 105 105 A R H < S+ 0 0 83 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.803 119.8 45.6 -77.9 -31.3 10.9 2.4 1.7 106 106 A Q H < S- 0 0 54 -4,-3.4 32,-1.5 -5,-0.2 -2,-0.2 0.951 111.5-113.0 -76.7 -52.9 11.4 0.5 4.9 107 107 A G S < S+ 0 0 3 -4,-2.9 -3,-0.1 -5,-0.3 -4,-0.1 0.148 87.2 109.0 139.5 -19.2 11.8 -3.0 3.6 108 108 A L S S+ 0 0 24 -5,-0.2 2,-0.2 -6,-0.2 -4,-0.2 0.857 93.7 11.4 -53.0 -37.5 8.7 -4.9 4.8 109 109 A A S S- 0 0 2 -6,-1.7 2,-0.3 -9,-0.1 -68,-0.1 -0.717 71.1-146.3-131.5-178.0 7.4 -4.9 1.2 110 110 A K - 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