==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-04 1VJE . COMPND 2 MOLECULE: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR STRUCTURAL GENOMIX . 301 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.2 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 0 0 0 0 0 0 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 2 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 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 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 8 A E > 0 0 148 0, 0.0 3,-2.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 157.4 39.5 -9.5 38.1 2 9 A S G > + 0 0 12 1,-0.3 3,-1.4 2,-0.2 17,-0.0 0.857 360.0 54.8 -48.3 -43.8 36.0 -9.0 36.9 3 10 A F G 3 S+ 0 0 32 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.550 99.7 62.8 -73.4 -6.1 36.3 -5.2 36.7 4 11 A D G < S+ 0 0 83 -3,-2.7 145,-2.4 2,-0.1 2,-0.3 0.506 77.7 99.1 -93.4 -10.1 39.4 -5.4 34.5 5 12 A L B < S-A 148 0A 4 -3,-1.4 2,-1.2 -4,-0.5 143,-0.2 -0.646 79.9-126.4 -74.5 134.0 37.7 -7.1 31.5 6 13 A D >> - 0 0 11 141,-3.3 3,-1.4 -2,-0.3 4,-0.7 -0.703 24.8-168.3 -82.0 102.7 36.8 -4.6 28.9 7 14 A H T 34 S+ 0 0 2 260,-3.1 -1,-0.2 -2,-1.2 260,-0.1 0.604 79.5 61.9 -64.9 -17.6 33.0 -5.3 28.6 8 15 A T T 34 S+ 0 0 57 259,-0.2 -1,-0.3 1,-0.2 259,-0.1 0.640 104.3 49.2 -84.1 -11.6 32.6 -3.2 25.4 9 16 A K T <4 S+ 0 0 108 -3,-1.4 -2,-0.2 258,-0.2 -1,-0.2 0.538 86.2 94.2-104.3 -16.0 35.0 -5.4 23.4 10 17 A V < - 0 0 0 -4,-0.7 2,-0.5 137,-0.1 136,-0.1 -0.289 66.6-135.4 -75.2 167.0 33.9 -8.9 24.1 11 18 A K - 0 0 131 27,-0.1 131,-0.1 131,-0.0 24,-0.1 -0.858 32.1-113.7-127.7 96.4 31.5 -10.7 21.6 12 19 A A S S+ 0 0 17 -2,-0.5 26,-0.1 2,-0.1 24,-0.1 -0.404 86.1 46.7 -76.3 153.9 28.6 -12.6 23.2 13 20 A P S S+ 0 0 2 0, 0.0 129,-0.3 0, 0.0 2,-0.3 0.567 86.1 119.0 -84.9 158.8 27.7 -15.3 23.4 14 21 A Y E -B 35 0B 0 21,-1.7 21,-2.2 127,-0.2 2,-0.4 -0.977 56.1-115.7-164.0 176.1 31.0 -17.0 24.4 15 22 A V E +Bc 34 143B 0 127,-2.2 129,-2.2 -2,-0.3 2,-0.3 -0.979 35.2 176.6-121.7 134.3 33.0 -19.0 26.9 16 23 A R E -B 33 0B 9 17,-1.7 17,-2.8 -2,-0.4 2,-0.5 -0.975 35.9-121.8-142.4 135.0 36.0 -17.3 28.5 17 24 A L E -B 32 0B 35 -2,-0.3 15,-0.3 127,-0.3 3,-0.1 -0.562 30.2-175.6 -68.9 120.9 38.5 -18.4 31.2 18 25 A A E - 0 0 26 13,-3.2 2,-0.3 -2,-0.5 14,-0.2 0.693 59.2 -30.8 -97.1 -14.4 38.0 -15.6 33.8 19 26 A G E -B 31 0B 29 12,-1.3 12,-3.2 -3,-0.1 -1,-0.4 -0.940 48.5-144.2 172.8 163.9 40.7 -16.6 36.1 20 27 A V E -B 30 0B 60 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.981 13.9-161.8-148.2 129.3 42.7 -19.6 37.4 21 28 A K E -B 29 0B 97 8,-2.5 8,-2.1 -2,-0.3 2,-0.4 -0.968 15.8-132.7-116.1 143.2 44.0 -20.0 41.0 22 29 A T E -B 28 0B 100 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.740 22.6-140.6 -94.5 132.4 46.7 -22.4 42.2 23 30 A T > - 0 0 5 4,-3.0 3,-2.5 -2,-0.4 4,-0.0 -0.551 30.6 -96.3 -89.0 166.2 45.8 -24.4 45.3 24 31 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 123.2 46.7 -50.8 -36.1 48.3 -25.1 48.0 25 32 A K T 3 S- 0 0 126 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.455 127.2 -93.0 -90.3 5.1 49.3 -28.6 46.7 26 33 A G S < S+ 0 0 46 -3,-2.5 2,-0.1 1,-0.3 -4,-0.0 0.503 83.9 128.3 101.3 4.4 49.7 -27.4 43.1 27 34 A D - 0 0 24 -4,-0.0 -4,-3.0 59,-0.0 2,-0.4 -0.259 49.9-126.5 -83.0 177.5 46.2 -28.1 41.8 28 35 A Q E -B 22 0B 64 -6,-0.2 57,-2.4 -2,-0.1 2,-0.5 -0.978 12.7-158.5-133.7 142.9 44.1 -25.5 39.9 29 36 A I E -BD 21 84B 4 -8,-2.1 -8,-2.5 -2,-0.4 2,-0.3 -0.998 21.5-159.0-113.7 119.1 40.6 -24.0 40.2 30 37 A S E -BD 20 83B 0 53,-3.1 53,-2.8 -2,-0.5 2,-0.4 -0.795 3.0-153.2-103.6 142.1 39.5 -22.4 36.9 31 38 A K E -BD 19 82B 21 -12,-3.2 -13,-3.2 -2,-0.3 -12,-1.3 -0.972 11.1-161.7-113.9 136.6 36.7 -19.8 36.6 32 39 A Y E -BD 17 81B 2 49,-2.8 49,-2.1 -2,-0.4 2,-0.7 -0.950 16.3-145.2-124.7 138.6 34.7 -19.4 33.4 33 40 A D E -BD 16 80B 0 -17,-2.8 -17,-1.7 -2,-0.4 2,-0.9 -0.895 15.4-166.9 -95.5 106.5 32.5 -16.6 32.2 34 41 A L E -BD 15 79B 0 45,-3.1 45,-2.6 -2,-0.7 2,-0.6 -0.892 15.6-163.9 -99.9 95.5 29.6 -18.3 30.3 35 42 A R E +BD 14 78B 2 -21,-2.2 -21,-1.7 -2,-0.9 43,-0.3 -0.767 25.3 168.6 -95.4 120.7 28.2 -15.2 28.6 36 43 A F + 0 0 1 41,-1.9 2,-0.3 -2,-0.6 42,-0.2 0.895 66.2 33.4 -88.1 -50.0 24.7 -15.4 27.1 37 44 A L S S- 0 0 40 40,-2.4 -1,-0.1 -25,-0.1 5,-0.1 -0.772 88.4 -97.1-115.3 154.0 24.1 -11.7 26.2 38 45 A Q > - 0 0 55 -2,-0.3 3,-1.9 -26,-0.1 4,-0.1 -0.516 55.1 -97.6 -66.0 125.5 26.2 -8.8 25.1 39 46 A P T 3 S+ 0 0 4 0, 0.0 232,-0.2 0, 0.0 -1,-0.1 -0.123 102.5 2.5 -47.8 131.8 27.2 -6.6 28.1 40 47 A N T 3 S+ 0 0 11 230,-2.8 231,-0.1 2,-0.2 3,-0.1 0.640 103.3 97.6 66.5 16.1 24.9 -3.6 28.5 41 48 A Q S < S- 0 0 144 -3,-1.9 2,-0.2 1,-0.6 -3,-0.1 0.102 101.8 -46.5-113.1 15.5 22.5 -4.4 25.6 42 49 A G - 0 0 35 228,-0.3 -1,-0.6 -4,-0.1 2,-0.3 -0.601 57.8-119.3 136.4 161.4 19.9 -6.0 27.9 43 50 A A - 0 0 36 -2,-0.2 2,-0.4 -3,-0.1 34,-0.2 -0.902 26.0-102.3-133.1 160.2 19.7 -8.6 30.7 44 51 A I - 0 0 0 32,-3.0 34,-0.1 -2,-0.3 5,-0.1 -0.701 49.9-104.5 -78.4 135.9 18.1 -11.9 31.4 45 52 A D > - 0 0 82 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.232 29.0-116.0 -58.7 145.9 14.9 -11.6 33.5 46 53 A P H > S+ 0 0 21 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.833 114.1 48.6 -54.3 -43.2 15.5 -12.6 37.1 47 54 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 78,-0.7 0.937 112.0 49.4 -64.1 -42.8 13.0 -15.5 37.0 48 55 A A H > S+ 0 0 0 76,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.913 111.8 47.5 -60.8 -42.3 14.5 -16.8 33.7 49 56 A I H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.833 108.2 55.7 -74.3 -25.0 18.1 -16.7 35.1 50 57 A H H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.945 110.7 45.3 -67.0 -42.8 16.9 -18.4 38.3 51 58 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.945 110.7 52.8 -66.6 -42.3 15.6 -21.3 36.1 52 59 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.892 108.1 53.3 -58.9 -38.1 18.8 -21.3 34.0 53 60 A E H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.940 110.3 45.5 -61.9 -48.0 20.7 -21.6 37.3 54 61 A H H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.917 118.6 42.9 -62.1 -40.9 18.6 -24.7 38.3 55 62 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 3,-0.3 0.931 116.9 43.9 -73.1 -44.7 18.9 -26.3 34.9 56 63 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 5,-0.5 0.771 101.4 68.1 -74.1 -20.8 22.6 -25.6 34.2 57 64 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.937 115.1 29.5 -60.4 -43.6 23.6 -26.6 37.7 58 65 A G H X S+ 0 0 18 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.936 121.7 50.2 -81.5 -43.2 22.7 -30.1 36.8 59 66 A Y H X S+ 0 0 48 -4,-2.7 4,-0.9 1,-0.2 -3,-0.2 0.841 108.9 50.4 -68.7 -35.0 23.4 -30.0 33.0 60 67 A M H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.8 0.934 110.4 51.9 -64.7 -41.2 26.9 -28.6 33.3 61 68 A R H 3< S+ 0 0 66 -4,-0.7 -2,-0.2 -5,-0.5 -1,-0.2 0.829 104.7 56.7 -66.0 -23.3 27.6 -31.3 35.8 62 69 A D H 3< S+ 0 0 112 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.775 117.5 33.3 -76.6 -24.1 26.4 -34.0 33.4 63 70 A H H << S+ 0 0 81 -4,-0.9 2,-0.4 -3,-0.8 -2,-0.2 0.456 118.6 44.5-112.9 -1.0 28.9 -32.8 30.7 64 71 A L >< - 0 0 32 -4,-1.2 3,-0.6 -3,-0.1 -1,-0.2 -0.983 69.7-135.2-148.2 132.9 31.9 -31.7 32.7 65 72 A E T 3 S+ 0 0 181 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.0 -0.399 83.0 29.5 -83.5 155.0 33.8 -33.2 35.6 66 73 A G T 3 S+ 0 0 32 1,-0.2 18,-2.9 17,-0.1 2,-0.2 0.569 70.2 163.4 77.4 11.7 35.0 -31.1 38.6 67 74 A V E < +E 83 0B 7 -3,-0.6 16,-0.3 16,-0.2 -1,-0.2 -0.458 11.7 175.9 -63.7 125.9 32.3 -28.5 38.6 68 75 A V E - 0 0 8 14,-3.2 2,-0.3 1,-0.4 15,-0.2 0.721 63.8 -5.7 -96.6 -38.7 32.3 -26.7 41.9 69 76 A D E -E 82 0B 7 13,-1.4 13,-1.9 2,-0.0 2,-0.4 -0.959 43.6-164.2-160.6 147.0 29.6 -24.1 41.2 70 77 A V E +E 81 0B 0 234,-2.7 11,-0.2 -2,-0.3 -13,-0.1 -0.972 31.6 165.1-131.5 111.8 27.4 -22.7 38.5 71 78 A S E -E 80 0B 0 9,-2.7 9,-2.7 -2,-0.4 153,-0.1 -0.944 37.8-109.1-131.7 154.3 25.9 -19.3 39.5 72 79 A P E -E 79 0B 5 0, 0.0 2,-0.3 0, 0.0 7,-0.3 -0.465 36.1-117.5 -73.4 150.5 24.2 -16.4 37.8 73 80 A M > - 0 0 4 5,-2.4 3,-2.0 1,-0.1 5,-0.2 -0.660 17.7-124.6 -83.9 145.6 26.1 -13.1 37.4 74 81 A G T 3 S+ 0 0 4 -2,-0.3 127,-0.2 1,-0.3 -1,-0.1 0.840 113.1 60.6 -56.7 -30.5 24.7 -10.1 39.2 75 82 A X T 3 S- 0 0 12 126,-0.1 -1,-0.3 1,-0.1 -35,-0.2 0.558 102.6-138.4 -75.1 -5.7 24.7 -8.3 35.8 76 83 A R S < S+ 0 0 36 -3,-2.0 -32,-3.0 2,-0.2 -2,-0.1 0.704 75.1 104.9 58.6 28.6 22.3 -11.0 34.5 77 84 A T S S- 0 0 0 -34,-0.2 -40,-2.4 1,-0.1 -41,-1.9 0.393 88.9 -12.8-111.5 -4.3 24.0 -11.4 31.1 78 85 A G E -D 35 0B 0 -43,-0.3 -5,-2.4 -42,-0.2 2,-0.3 -0.950 67.8 -97.2-170.9-172.4 25.7 -14.7 31.9 79 86 A M E -DE 34 72B 0 -45,-2.6 -45,-3.1 -2,-0.3 2,-0.4 -0.925 20.8-137.0-126.5 148.3 26.8 -17.3 34.5 80 87 A Y E -DE 33 71B 8 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.4 -0.872 20.0-169.8-101.5 142.1 30.0 -17.9 36.3 81 88 A M E -DE 32 70B 1 -49,-2.1 -49,-2.8 -2,-0.4 2,-0.4 -0.984 8.5-157.4-133.5 131.2 31.3 -21.5 36.7 82 89 A A E -DE 31 69B 6 -13,-1.9 -14,-3.2 -2,-0.4 -13,-1.4 -0.856 16.7-176.4-108.0 132.5 34.1 -22.7 38.9 83 90 A V E -DE 30 67B 9 -53,-2.8 -53,-3.1 -2,-0.4 2,-0.6 -0.998 28.8-126.4-131.5 137.6 35.8 -26.0 38.0 84 91 A I E S+D 29 0B 27 -18,-2.9 -55,-0.2 -2,-0.4 2,-0.2 -0.708 76.1 62.3 -82.1 120.9 38.6 -28.0 39.6 85 92 A G S S- 0 0 28 -57,-2.4 -55,-0.2 -2,-0.6 -2,-0.2 -0.704 91.1 -58.8 143.6 159.4 41.2 -28.5 36.9 86 93 A E S S- 0 0 142 -2,-0.2 -56,-0.1 1,-0.2 -58,-0.0 -0.302 75.1 -75.5 -57.2 154.4 43.5 -26.8 34.5 87 94 A P + 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -67,-0.0 -0.198 55.8 165.8 -56.2 139.5 42.1 -24.3 32.1 88 95 A D > + 0 0 82 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.478 6.4 167.3-155.0 71.0 40.3 -25.9 29.2 89 96 A E H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.868 79.9 53.0 -60.0 -35.9 38.1 -23.4 27.4 90 97 A Q H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 111.2 46.6 -65.8 -46.7 37.5 -25.7 24.4 91 98 A G H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 114.0 47.7 -59.9 -41.3 36.2 -28.5 26.7 92 99 A V H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.920 109.9 53.1 -69.5 -38.1 34.0 -26.1 28.7 93 100 A M H X S+ 0 0 17 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.940 111.1 46.1 -61.1 -44.0 32.6 -24.6 25.5 94 101 A K H X S+ 0 0 108 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.918 114.3 48.3 -65.9 -38.7 31.7 -28.1 24.3 95 102 A A H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.897 111.3 49.9 -65.7 -45.2 30.2 -28.9 27.7 96 103 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.915 108.9 52.2 -60.1 -43.0 28.2 -25.6 27.7 97 104 A E H X S+ 0 0 55 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.956 111.8 46.2 -60.4 -42.0 26.9 -26.3 24.2 98 105 A A H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.913 112.7 50.1 -64.2 -45.6 25.7 -29.8 25.3 99 106 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.831 109.1 51.8 -62.7 -35.5 24.1 -28.3 28.5 100 107 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.864 107.2 52.6 -69.1 -34.8 22.3 -25.6 26.5 101 108 A K H X S+ 0 0 125 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 111.1 47.9 -64.3 -41.7 20.9 -28.3 24.1 102 109 A D H < S+ 0 0 55 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.902 113.4 47.8 -61.8 -43.5 19.6 -30.1 27.3 103 110 A T H >< S+ 0 0 0 -4,-2.2 3,-1.7 2,-0.2 -2,-0.2 0.953 110.2 50.8 -63.6 -46.5 18.2 -26.8 28.6 104 111 A A H 3< S+ 0 0 13 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.849 114.4 45.2 -61.8 -32.0 16.5 -25.9 25.3 105 112 A G T 3< S+ 0 0 46 -4,-2.0 2,-1.2 -5,-0.2 -1,-0.3 0.360 80.2 125.2 -93.2 7.4 14.9 -29.3 25.2 106 113 A H < + 0 0 16 -3,-1.7 24,-0.1 -4,-0.3 -3,-0.1 -0.502 17.1 152.9 -76.8 97.6 13.8 -29.4 28.9 107 114 A D + 0 0 114 -2,-1.2 -1,-0.2 2,-0.0 3,-0.1 0.125 47.3 88.7-108.2 16.7 10.1 -30.0 28.8 108 115 A Q S S- 0 0 126 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 -0.490 95.5 -67.0-103.5 174.1 9.9 -31.7 32.2 109 116 A P - 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