==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 14-MAY-01 1J6X . COMPND 2 MOLECULE: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR H.A.LEWIS,E.B.FURLONG,M.G.BERGSEID,W.E.SANDERSON, . 305 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 16.4 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 . 1 0.3 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 . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 27.2 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 2 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 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 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 X 0 0 204 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.0 -5.7 3.7 14.4 2 2 A K - 0 0 180 2,-0.0 4,-0.1 1,-0.0 7,-0.1 -0.714 360.0-149.2 -85.4 116.7 -9.0 3.4 12.4 3 3 A X - 0 0 41 -2,-0.6 6,-0.1 2,-0.3 -1,-0.0 -0.269 23.6-116.6 -77.4 166.1 -11.5 6.1 13.5 4 4 A N S S+ 0 0 75 4,-0.0 2,-0.4 -2,-0.0 -1,-0.1 0.894 102.6 73.3 -67.6 -39.7 -15.3 5.6 13.4 5 5 A V S > S- 0 0 0 1,-0.1 3,-0.9 206,-0.1 4,-0.3 -0.639 77.9-146.6 -79.5 124.7 -15.3 8.5 10.9 6 6 A E G > S+ 0 0 37 -2,-0.4 3,-1.6 1,-0.2 4,-0.1 0.822 93.9 58.8 -63.1 -35.6 -14.0 7.6 7.4 7 7 A S G > S+ 0 0 3 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.762 96.4 64.4 -68.1 -19.7 -12.5 10.9 6.5 8 8 A F G < S+ 0 0 3 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.674 98.1 57.2 -72.1 -15.8 -10.2 10.6 9.6 9 9 A N G < S+ 0 0 71 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.2 0.380 86.5 96.0 -94.9 1.6 -8.8 7.6 7.8 10 10 A L S < S- 0 0 27 -3,-1.2 2,-1.4 -4,-0.1 3,-0.1 -0.805 80.1-126.4 -93.6 132.1 -7.8 9.6 4.7 11 11 A D > - 0 0 49 -2,-0.4 3,-2.1 1,-0.2 4,-0.3 -0.647 24.0-170.7 -82.2 94.0 -4.2 10.8 4.7 12 12 A H T 3 S+ 0 0 6 260,-3.0 3,-0.5 -2,-1.4 -1,-0.2 0.645 79.6 65.0 -59.3 -18.8 -4.7 14.5 4.2 13 13 A T T 3 S+ 0 0 82 259,-0.2 -1,-0.3 1,-0.2 259,-0.1 0.486 102.9 48.3 -84.7 -1.2 -1.0 15.1 3.6 14 14 A K S < S+ 0 0 146 -3,-2.1 2,-0.2 258,-0.2 -1,-0.2 0.354 92.4 88.3-118.5 4.2 -1.0 13.0 0.4 15 15 A V - 0 0 15 -3,-0.5 2,-0.5 -4,-0.3 136,-0.2 -0.673 62.1-144.9-101.8 158.3 -4.0 14.3 -1.4 16 16 A K - 0 0 121 134,-2.5 133,-0.1 -2,-0.2 27,-0.1 -0.899 29.1-110.8-129.4 106.0 -3.9 17.2 -3.9 17 17 A A S S+ 0 0 9 -2,-0.5 24,-0.1 134,-0.1 26,-0.1 -0.355 86.4 55.9 -68.1 153.1 -6.9 19.6 -4.1 18 18 A P S S+ 0 0 6 0, 0.0 2,-0.3 0, 0.0 23,-0.2 0.613 80.5 121.4 -85.7 158.3 -9.0 20.2 -6.0 19 19 A Y E -A 40 0A 0 21,-1.9 21,-2.3 -2,-0.1 2,-0.5 -0.975 54.5-128.4-171.4 159.5 -10.5 16.8 -6.5 20 20 A V E -A 39 0A 0 127,-2.6 2,-0.4 -2,-0.3 19,-0.2 -0.981 34.1-171.4-119.4 116.2 -13.7 14.7 -6.2 21 21 A R E -A 38 0A 32 17,-3.1 17,-3.4 -2,-0.5 2,-1.1 -0.916 32.0-122.4-119.5 136.8 -13.2 11.5 -4.2 22 22 A I E +A 37 0A 89 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.611 43.4 170.2 -70.8 101.7 -15.4 8.4 -3.6 23 23 A A E - 0 0 9 13,-1.7 2,-0.3 -2,-1.1 14,-0.2 0.803 47.7 -3.3 -91.9 -32.5 -15.4 8.7 0.2 24 24 A D E -A 36 0A 42 12,-1.9 12,-2.8 2,-0.0 2,-0.3 -0.997 45.8-161.4-163.2 156.9 -17.9 6.3 1.4 25 25 A R E +A 35 0A 112 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.988 11.3 174.7-139.3 146.3 -20.6 3.7 0.7 26 26 A K E -A 34 0A 56 8,-2.0 8,-1.9 -2,-0.3 2,-0.4 -0.986 12.4-156.2-150.7 145.5 -23.4 2.2 2.8 27 27 A K E -A 33 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.986 15.6-131.0-132.1 126.5 -26.2 -0.2 1.9 28 28 A G > - 0 0 7 4,-2.5 3,-1.1 -2,-0.4 156,-0.1 -0.055 34.2-102.1 -62.6 171.7 -29.5 -0.5 3.7 29 29 A V T 3 S+ 0 0 125 1,-0.2 -1,-0.1 2,-0.1 155,-0.0 0.767 122.8 52.4 -69.2 -22.9 -30.9 -3.9 4.7 30 30 A N T 3 S- 0 0 90 2,-0.1 -1,-0.2 0, 0.0 154,-0.0 0.430 125.9 -93.8 -92.6 -1.3 -33.2 -3.8 1.7 31 31 A G S < S+ 0 0 26 -3,-1.1 -2,-0.1 1,-0.3 2,-0.1 0.210 72.6 145.0 113.0 -17.9 -30.5 -3.1 -1.0 32 32 A D - 0 0 2 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.330 38.5-140.5 -62.2 132.2 -30.6 0.7 -1.3 33 33 A L E -A 27 0A 17 -6,-0.2 57,-2.4 -2,-0.1 2,-0.4 -0.653 16.4-171.3 -97.7 148.6 -27.2 2.3 -1.9 34 34 A I E -AB 26 89A 4 -8,-1.9 -8,-2.0 -2,-0.3 2,-0.4 -0.982 5.4-174.0-138.6 120.9 -25.7 5.5 -0.5 35 35 A V E -AB 25 88A 2 53,-1.9 53,-3.0 -2,-0.4 2,-0.5 -0.970 7.1-159.3-119.0 135.5 -22.5 6.9 -1.9 36 36 A K E -AB 24 87A 3 -12,-2.8 -12,-1.9 -2,-0.4 -13,-1.7 -0.954 7.4-154.9-115.9 132.6 -20.7 9.9 -0.3 37 37 A Y E -AB 22 86A 0 49,-3.5 49,-2.2 -2,-0.5 2,-0.9 -0.918 11.8-142.4-113.6 133.4 -18.2 12.0 -2.3 38 38 A D E -AB 21 85A 0 -17,-3.4 -17,-3.1 -2,-0.4 2,-0.9 -0.793 20.4-173.3 -89.0 101.8 -15.4 14.1 -0.9 39 39 A V E -AB 20 84A 0 45,-2.5 45,-2.7 -2,-0.9 2,-0.5 -0.858 9.6-163.5-105.6 99.6 -15.3 17.2 -3.2 40 40 A R E +AB 19 83A 2 -21,-2.3 -21,-1.9 -2,-0.9 43,-0.3 -0.749 22.2 172.0 -88.9 117.4 -12.3 19.1 -2.1 41 41 A F + 0 0 19 41,-2.3 2,-0.4 -2,-0.5 42,-0.2 0.751 66.5 44.5 -92.5 -32.4 -11.9 22.7 -3.1 42 42 A K S S- 0 0 46 40,-2.8 -1,-0.1 5,-0.1 5,-0.1 -0.924 87.1-104.4-124.8 144.7 -8.8 23.6 -1.0 43 43 A Q >> - 0 0 53 -2,-0.4 3,-2.1 -26,-0.1 4,-1.3 -0.431 52.9-104.2 -63.0 120.2 -5.5 22.0 -0.2 44 44 A P T 34 S- 0 0 6 0, 0.0 232,-0.2 0, 0.0 231,-0.1 -0.193 96.0 -5.4 -51.2 129.8 -5.7 20.7 3.4 45 45 A N T 34 S+ 0 0 35 230,-3.6 231,-0.1 2,-0.3 3,-0.1 0.671 126.6 73.9 58.1 20.2 -3.9 22.8 6.0 46 46 A R T <4 S- 0 0 210 -3,-2.1 2,-0.3 1,-0.5 -1,-0.1 0.397 108.0 -2.8-132.6 -13.6 -2.5 25.0 3.2 47 47 A D < - 0 0 87 -4,-1.3 -1,-0.5 228,-0.3 -2,-0.3 -0.971 59.3-170.5-171.2 164.6 -5.7 27.0 2.3 48 48 A H - 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 34,-0.2 -0.988 28.2-101.0-162.3 162.3 -9.4 27.3 3.1 49 49 A X - 0 0 1 32,-3.2 2,-0.2 -2,-0.3 34,-0.1 -0.713 36.8-118.6 -91.1 141.2 -12.7 28.9 2.0 50 50 A D >> - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.582 29.1-117.0 -76.0 140.2 -14.0 32.0 3.8 51 51 A X H 3> S+ 0 0 19 -2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.804 108.3 54.2 -49.1 -44.8 -17.4 31.3 5.4 52 52 A P H 3> S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 77,-0.6 0.927 114.1 42.1 -62.0 -39.7 -19.6 33.8 3.5 53 53 A S H <> S+ 0 0 6 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.895 117.0 48.4 -70.2 -37.9 -18.4 32.4 0.1 54 54 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.909 111.1 50.5 -66.8 -43.7 -18.7 28.8 1.4 55 55 A H H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.909 111.9 47.1 -61.3 -45.0 -22.2 29.5 2.8 56 56 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.855 111.1 51.2 -66.6 -36.0 -23.3 31.0 -0.5 57 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.5 0.866 105.4 57.1 -70.2 -34.0 -21.9 28.1 -2.4 58 58 A E H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.977 112.2 41.8 -57.0 -55.8 -23.7 25.6 -0.1 59 59 A H H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.943 116.7 47.2 -54.3 -57.5 -27.0 27.3 -1.1 60 60 A L H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 3,-0.3 0.946 117.3 38.7 -54.8 -58.4 -26.3 27.6 -4.8 61 61 A V H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.906 111.3 60.2 -63.3 -38.7 -25.0 24.1 -5.5 62 62 A A H < S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.5 -1,-0.2 0.862 117.5 31.1 -57.1 -39.1 -27.6 22.5 -3.2 63 63 A E H < S+ 0 0 36 -4,-1.8 4,-0.2 -3,-0.3 3,-0.2 0.893 122.6 48.1 -84.3 -46.4 -30.4 24.0 -5.3 64 64 A I H >X S+ 0 0 18 -4,-3.1 3,-1.6 -5,-0.3 4,-0.6 0.905 107.3 54.4 -64.4 -42.0 -28.7 24.0 -8.7 65 65 A I H >X S+ 0 0 3 -4,-3.3 3,-0.8 -5,-0.3 4,-0.6 0.842 104.2 55.2 -62.5 -33.1 -27.4 20.4 -8.5 66 66 A R H 34 S+ 0 0 36 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.453 97.9 63.5 -78.0 -3.5 -30.9 19.0 -7.8 67 67 A N H <4 S+ 0 0 105 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.668 111.7 38.9 -86.6 -20.1 -32.1 20.8 -11.0 68 68 A H H << S+ 0 0 68 -3,-0.8 2,-0.3 -4,-0.6 -2,-0.2 0.488 125.5 27.0-105.7 -9.8 -29.7 18.4 -12.7 69 69 A A < - 0 0 14 -4,-0.6 0, 0.0 31,-0.0 0, 0.0 -0.765 49.9-159.6-137.0-178.4 -30.2 15.2 -10.7 70 70 A N S S+ 0 0 152 -2,-0.3 -4,-0.1 -3,-0.0 -3,-0.0 0.080 85.4 70.8-151.9 18.0 -33.0 13.7 -8.7 71 71 A Y + 0 0 36 17,-0.0 18,-2.5 16,-0.0 2,-0.5 0.124 63.2 122.3-124.0 14.8 -30.8 11.4 -6.7 72 72 A V E +C 88 0A 11 16,-0.2 16,-0.3 1,-0.2 3,-0.1 -0.700 32.2 179.3 -85.6 121.3 -29.0 13.9 -4.4 73 73 A V E - 0 0 2 14,-2.9 2,-0.3 -2,-0.5 15,-0.2 0.878 65.4 -11.6 -88.4 -37.8 -29.5 13.2 -0.7 74 74 A D E -C 87 0A 2 13,-1.6 13,-2.8 2,-0.0 2,-0.4 -0.988 40.3-156.3-165.7 147.2 -27.4 16.0 0.6 75 75 A W E +C 86 0A 0 231,-2.4 11,-0.2 -2,-0.3 -13,-0.1 -0.926 34.8 174.6-125.7 101.2 -24.8 18.8 -0.3 76 76 A S E -C 85 0A 0 9,-2.6 9,-3.7 -2,-0.4 2,-0.1 -0.901 28.9-129.5-120.3 141.6 -22.9 19.6 2.9 77 77 A P E -C 84 0A 3 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.475 30.8-119.4 -77.6 151.2 -19.9 21.9 3.8 78 78 A X > - 0 0 6 5,-2.2 3,-1.8 -2,-0.1 5,-0.1 -0.679 14.7-124.3 -90.9 149.6 -17.0 20.4 5.8 79 79 A G T 3 S+ 0 0 0 -2,-0.3 128,-0.2 1,-0.3 -1,-0.1 0.738 110.0 61.5 -63.7 -21.3 -16.1 21.8 9.2 80 80 A C T 3 S- 0 0 9 127,-0.1 -1,-0.3 3,-0.0 -35,-0.2 0.463 104.0-130.1 -84.2 -4.5 -12.5 22.3 8.0 81 81 A Q S < S+ 0 0 9 -3,-1.8 -32,-3.2 2,-0.2 -2,-0.1 0.748 80.6 101.3 63.7 28.1 -13.6 24.7 5.2 82 82 A T S S- 0 0 0 -34,-0.2 -40,-2.8 1,-0.2 -41,-2.3 0.559 86.7 -13.2-116.0 -14.1 -11.7 23.0 2.4 83 83 A G E -B 40 0A 0 -43,-0.3 -5,-2.2 -42,-0.2 2,-0.3 -0.918 59.8-107.9-164.6-169.3 -14.5 21.0 0.7 84 84 A F E -BC 39 77A 0 -45,-2.7 -45,-2.5 -2,-0.3 2,-0.5 -0.918 22.3-124.0-135.1 160.9 -18.1 19.6 0.7 85 85 A Y E -BC 38 76A 2 -9,-3.7 -9,-2.6 -2,-0.3 2,-0.5 -0.918 18.9-162.1-108.4 132.0 -19.7 16.2 1.0 86 86 A L E -BC 37 75A 2 -49,-2.2 -49,-3.5 -2,-0.5 2,-0.5 -0.972 8.3-168.1-113.8 119.0 -22.0 15.1 -1.7 87 87 A T E -BC 36 74A 5 -13,-2.8 -14,-2.9 -2,-0.5 -13,-1.6 -0.920 5.8-173.8-111.5 131.8 -24.3 12.2 -0.8 88 88 A V E -BC 35 72A 0 -53,-3.0 -53,-1.9 -2,-0.5 2,-0.4 -0.900 16.3-138.5-126.1 156.3 -26.3 10.3 -3.3 89 89 A L E S-B 34 0A 24 -18,-2.5 -55,-0.2 -2,-0.3 3,-0.1 -0.931 79.3 -15.0-115.3 130.9 -29.0 7.6 -3.3 90 90 A N S S+ 0 0 66 -57,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.871 102.5 115.2 45.5 47.0 -29.1 4.6 -5.7 91 91 A H + 0 0 17 -3,-0.2 -1,-0.1 -20,-0.1 -56,-0.1 -0.931 31.3 167.7-146.3 115.3 -26.6 6.2 -8.0 92 92 A D + 0 0 95 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.0 -0.528 36.2 116.2-129.2 65.6 -23.2 4.6 -8.6 93 93 A N > - 0 0 59 1,-0.1 4,-1.7 -2,-0.1 3,-0.2 -0.803 36.7-174.8-137.5 92.0 -21.7 6.3 -11.6 94 94 A Y H > S+ 0 0 60 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.870 84.8 55.3 -55.8 -42.0 -18.5 8.3 -10.9 95 95 A T H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 106.8 49.7 -59.2 -47.1 -18.3 9.8 -14.4 96 96 A E H > S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.879 106.1 58.0 -59.1 -39.2 -21.9 11.2 -14.2 97 97 A I H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.941 105.6 49.0 -58.2 -46.0 -21.0 12.8 -10.9 98 98 A L H X S+ 0 0 12 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.922 113.3 46.9 -59.7 -43.2 -18.1 14.7 -12.5 99 99 A E H X S+ 0 0 71 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.908 111.9 49.3 -65.2 -43.9 -20.4 15.9 -15.3 100 100 A V H X S+ 0 0 11 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.905 112.9 48.4 -61.9 -42.1 -23.2 17.0 -13.0 101 101 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.858 111.2 51.4 -66.3 -34.0 -20.7 18.8 -10.9 102 102 A E H X S+ 0 0 53 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.935 113.7 42.9 -68.1 -45.2 -19.3 20.4 -14.1 103 103 A K H X S+ 0 0 106 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.937 113.5 52.7 -63.8 -48.1 -22.8 21.5 -15.2 104 104 A T H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.936 108.3 49.0 -53.4 -53.3 -23.7 22.7 -11.7 105 105 A X H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.866 110.0 53.3 -57.5 -35.6 -20.6 24.9 -11.3 106 106 A Q H < S+ 0 0 87 -4,-1.5 4,-0.5 1,-0.2 3,-0.4 0.906 109.3 46.9 -67.1 -41.2 -21.3 26.4 -14.7 107 107 A D H >X S+ 0 0 52 -4,-2.1 3,-1.0 1,-0.2 4,-0.6 0.824 103.7 63.5 -68.2 -32.3 -24.9 27.4 -13.8 108 108 A V H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.835 99.4 54.6 -60.4 -32.3 -23.5 28.8 -10.5 109 109 A L T 3< S+ 0 0 45 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.694 108.2 48.4 -75.8 -18.0 -21.6 31.3 -12.6 110 110 A K T <4 S+ 0 0 159 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.459 86.2 119.4 -97.3 -4.9 -24.8 32.4 -14.3 111 111 A A << - 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