==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-11 3R07 . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM DSM 1728; . AUTHOR M.G.POSNER,U.UPADHYAY,S.CRENNELL . 343 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 19.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 1 2 0 0 3 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 4 1 1 0 2 0 0 1 3 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 1 1 0 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 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 0 A H 0 0 152 0, 0.0 217,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 108.0 88.8 42.5 18.4 2 1 A M E -a 218 0A 106 215,-1.5 217,-3.3 1,-0.1 2,-0.3 -0.421 360.0 -92.5 -84.5 163.8 86.9 40.9 21.3 3 2 A E E +a 219 0A 95 215,-0.2 2,-0.3 -2,-0.1 217,-0.2 -0.560 43.3 176.2 -84.3 137.9 83.9 38.5 20.9 4 3 A G E -a 220 0A 1 215,-2.1 217,-2.2 -2,-0.3 2,-0.5 -0.838 27.5-116.4-129.3 170.4 80.3 39.6 20.9 5 4 A R E -ab 221 36A 24 30,-2.5 32,-2.1 -2,-0.3 2,-0.6 -0.929 15.4-153.5-110.9 129.8 77.0 38.0 20.4 6 5 A L E -ab 222 37A 12 215,-2.3 217,-3.0 -2,-0.5 2,-0.6 -0.921 13.0-163.5 -98.2 118.9 74.7 38.8 17.5 7 6 A L E - b 0 38A 2 30,-2.9 32,-2.1 -2,-0.6 2,-1.1 -0.921 12.4-171.6-104.4 115.3 71.1 38.2 18.4 8 7 A L E + b 0 39A 65 -2,-0.6 2,-0.4 215,-0.5 32,-0.1 -0.825 37.1 145.4-102.3 88.3 68.6 38.0 15.5 9 8 A L + 0 0 35 30,-1.1 2,-0.3 -2,-1.1 -2,-0.1 -0.979 15.4 153.5-140.5 117.1 65.7 37.9 17.8 10 9 A E - 0 0 65 -2,-0.4 3,-0.1 30,-0.1 32,-0.1 -0.986 32.2-169.0-148.0 151.6 62.3 39.5 17.0 11 10 A T > + 0 0 37 30,-0.3 3,-2.5 -2,-0.3 7,-0.3 -0.641 18.1 174.7-135.7 76.3 58.5 39.4 17.7 12 11 A P T 3 S+ 0 0 35 0, 0.0 31,-1.8 0, 0.0 3,-0.3 0.885 77.8 54.0 -61.8 -31.7 57.1 41.7 15.2 13 12 A G T 3 S+ 0 0 64 1,-0.3 2,-0.2 29,-0.1 29,-0.1 0.557 113.0 47.0 -77.9 -1.5 53.5 40.9 16.1 14 13 A N <> + 0 0 55 -3,-2.5 4,-1.6 1,-0.1 3,-0.4 -0.654 58.1 171.2-141.5 84.2 54.2 41.7 19.7 15 14 A T H > S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.804 81.4 60.1 -62.0 -35.7 56.1 45.0 20.2 16 15 A R H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 107.1 44.0 -59.9 -45.3 55.6 44.8 23.9 17 16 A M H > S+ 0 0 19 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.818 110.3 57.8 -68.5 -31.0 57.4 41.5 24.2 18 17 A S H X S+ 0 0 0 -4,-1.6 4,-1.4 -7,-0.3 -2,-0.2 0.925 108.3 44.7 -66.6 -43.4 60.1 42.9 21.9 19 18 A L H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.853 107.5 59.1 -71.2 -35.2 60.7 45.8 24.3 20 19 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.948 104.6 50.8 -53.6 -49.0 60.7 43.4 27.2 21 20 A Y H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.848 106.5 55.8 -57.0 -36.9 63.6 41.5 25.5 22 21 A D H X S+ 0 0 10 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.923 111.8 41.2 -64.5 -42.6 65.4 44.7 25.2 23 22 A E H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.905 113.5 53.9 -71.6 -40.7 65.2 45.4 28.9 24 23 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.928 109.6 46.9 -53.9 -51.4 66.0 41.8 29.8 25 24 A I H < S+ 0 0 4 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.868 116.1 45.4 -65.1 -38.7 69.2 41.7 27.8 26 25 A Y H >< S+ 0 0 0 -4,-1.5 3,-0.9 -5,-0.2 -1,-0.2 0.921 114.6 49.3 -63.8 -45.9 70.2 45.0 29.3 27 26 A R H 3< S+ 0 0 54 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.842 110.1 46.3 -73.3 -33.7 69.3 44.0 32.8 28 27 A S T 3< S+ 0 0 10 -4,-2.6 2,-0.6 -5,-0.2 -1,-0.2 0.354 81.8 117.9 -91.2 6.3 71.0 40.6 33.0 29 28 A F < - 0 0 8 -3,-0.9 2,-0.4 -4,-0.2 64,-0.1 -0.633 50.9-157.6 -77.1 117.7 74.2 41.9 31.6 30 29 A Q > - 0 0 110 -2,-0.6 3,-2.1 1,-0.1 120,-0.1 -0.777 35.5 -93.4 -86.2 141.0 77.1 41.5 34.1 31 30 A Y T 3 S+ 0 0 145 -2,-0.4 120,-0.1 1,-0.2 3,-0.1 -0.318 115.2 31.7 -47.7 129.1 80.1 43.8 33.6 32 31 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 118,-0.3 -3,-0.0 0.186 87.1 128.2 100.3 -16.1 82.6 41.8 31.5 33 32 A D S < S- 0 0 69 -3,-2.1 -1,-0.3 1,-0.1 61,-0.3 -0.180 75.0 -80.6 -62.1 163.4 80.1 39.7 29.5 34 33 A K - 0 0 85 1,-0.1 -30,-0.2 -3,-0.1 -1,-0.1 -0.509 55.1-107.0 -65.0 129.7 80.4 39.7 25.7 35 34 A P - 0 0 5 0, 0.0 -30,-2.5 0, 0.0 2,-0.4 -0.207 36.6-134.2 -59.6 155.9 78.8 42.8 24.2 36 35 A I E -bC 5 92A 3 56,-2.7 56,-2.2 -32,-0.2 2,-0.4 -0.939 20.8-173.3-121.2 137.4 75.4 42.3 22.5 37 36 A L E -bC 6 91A 0 -32,-2.1 -30,-2.9 -2,-0.4 2,-0.4 -0.994 14.7-173.1-124.7 117.1 74.0 43.5 19.1 38 37 A R E -bC 7 90A 0 52,-2.9 52,-1.9 -2,-0.4 2,-0.3 -0.926 7.5-163.8-111.8 140.1 70.3 42.7 18.5 39 38 A F E +bC 8 89A 7 -32,-2.1 -30,-1.1 -2,-0.4 2,-0.3 -0.934 24.1 144.2-119.8 148.5 68.4 43.3 15.3 40 39 A Y E - C 0 88A 7 48,-2.5 48,-2.8 -2,-0.3 2,-0.3 -0.984 32.0-137.7-174.1 160.3 64.6 43.3 15.1 41 40 A R - 0 0 80 -2,-0.3 2,-0.4 46,-0.2 -30,-0.3 -0.969 9.6-147.7-132.1 151.0 61.4 44.7 13.6 42 41 A H - 0 0 1 41,-0.4 44,-0.3 -2,-0.3 3,-0.2 -0.956 16.1-132.4-115.5 134.8 58.0 45.8 14.9 43 42 A D S S- 0 0 72 -31,-1.8 39,-0.1 -2,-0.4 -28,-0.1 -0.322 70.3 -33.3 -67.0 166.1 54.7 45.6 13.0 44 43 A R S S+ 0 0 95 24,-0.1 25,-2.0 -2,-0.1 2,-0.3 0.186 92.9 125.8 -28.9 111.6 52.5 48.7 13.0 45 44 A S E -iJ 69 82B 0 37,-2.1 37,-2.9 23,-0.3 2,-0.5 -0.993 54.1-125.6-167.6 160.3 52.9 50.4 16.4 46 45 A V E -iJ 70 81B 0 23,-2.9 25,-1.9 -2,-0.3 2,-0.6 -0.963 22.3-160.8-112.7 126.4 53.8 53.6 18.3 47 46 A I E -iJ 71 80B 3 33,-3.0 33,-2.0 -2,-0.5 2,-0.3 -0.935 7.4-160.1-111.0 121.3 56.5 53.4 20.9 48 47 A I E -i 72 0B 0 23,-2.8 25,-2.6 -2,-0.6 31,-0.2 -0.684 22.3-107.3 -97.5 150.2 56.5 56.2 23.5 49 48 A G > - 0 0 0 -2,-0.3 3,-1.7 23,-0.2 27,-0.3 -0.210 36.3 -99.9 -66.5 165.3 59.5 57.1 25.6 50 49 A Y T 3 S+ 0 0 19 25,-2.6 26,-0.2 1,-0.3 -1,-0.1 0.840 120.5 46.4 -58.8 -36.8 59.8 56.3 29.3 51 50 A F T 3 S+ 0 0 1 26,-0.4 240,-1.9 242,-0.3 2,-0.3 0.354 95.0 104.4 -91.0 6.4 58.7 59.8 30.6 52 51 A Q < - 0 0 3 -3,-1.7 2,-0.5 238,-0.2 -4,-0.1 -0.657 60.9-146.7 -96.7 147.4 55.8 60.0 28.2 53 52 A V >> - 0 0 4 -2,-0.3 3,-1.4 1,-0.1 4,-0.8 -0.949 16.5-140.0-109.4 120.5 52.1 59.6 28.9 54 53 A A H >> S+ 0 0 0 194,-1.9 4,-2.5 -2,-0.5 3,-1.7 0.858 97.3 54.6 -49.4 -49.1 50.3 58.1 25.9 55 54 A E H 34 S+ 0 0 85 193,-0.5 -1,-0.3 1,-0.3 5,-0.1 0.728 108.9 49.7 -65.2 -24.5 47.2 60.2 26.1 56 55 A E H <4 S+ 0 0 47 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.642 120.6 33.2 -80.7 -17.8 49.2 63.4 25.9 57 56 A E H << S+ 0 0 22 -3,-1.7 115,-2.1 -4,-0.8 2,-0.3 0.795 113.1 37.6-113.2 -35.5 51.3 62.3 22.9 58 57 A V B < S-K 171 0C 4 -4,-2.5 2,-1.1 113,-0.3 113,-0.2 -0.804 75.1-109.4-128.4 159.3 49.3 60.1 20.5 59 58 A D > - 0 0 54 111,-3.1 4,-1.5 -2,-0.3 5,-0.1 -0.763 32.3-173.7 -88.4 97.2 45.8 59.7 19.1 60 59 A L H > S+ 0 0 47 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.869 79.9 51.1 -63.5 -38.1 44.6 56.5 20.8 61 60 A D H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 108.9 50.1 -70.3 -42.3 41.4 56.2 18.8 62 61 A Y H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 111.4 51.6 -57.8 -33.6 43.1 56.5 15.5 63 62 A M H <>S+ 0 0 4 -4,-1.5 5,-3.6 2,-0.2 -2,-0.2 0.908 111.9 44.7 -72.5 -39.3 45.5 53.8 16.7 64 63 A K H ><5S+ 0 0 175 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.953 109.3 54.9 -69.8 -51.6 42.7 51.5 17.7 65 64 A K H 3<5S+ 0 0 186 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.931 118.0 36.6 -41.5 -56.7 40.7 52.0 14.5 66 65 A N T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.215 113.0-113.2 -87.3 14.0 43.7 51.1 12.4 67 66 A G T < 5 + 0 0 55 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.868 57.7 159.3 57.5 39.4 45.1 48.3 14.7 68 67 A I < - 0 0 9 -5,-3.6 -23,-0.3 -6,-0.2 -1,-0.2 -0.852 37.4-129.3 -94.2 121.5 48.3 50.2 15.6 69 68 A M E -i 45 0B 57 -25,-2.0 -23,-2.9 -2,-0.6 2,-0.4 -0.456 10.9-138.7 -75.2 137.0 49.7 48.8 18.9 70 69 A L E +i 46 0B 13 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.815 30.9 165.4 -89.2 137.8 50.6 51.2 21.8 71 70 A A E -i 47 0B 0 -25,-1.9 -23,-2.8 -2,-0.4 2,-0.4 -0.985 25.9-149.7-152.9 139.4 53.9 50.4 23.6 72 71 A R E -i 48 0B 0 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.933 18.6-147.7-110.7 136.4 56.2 52.2 26.0 73 72 A R - 0 0 20 -25,-2.6 -53,-0.0 -2,-0.4 -57,-0.0 -0.450 22.8-114.7 -98.6 172.5 59.9 51.5 26.1 74 73 A Y S S+ 0 0 44 -55,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.660 91.4 71.0 -79.8 -20.3 62.4 51.6 29.0 75 74 A T S S- 0 0 2 1,-0.2 -25,-2.6 71,-0.1 -2,-0.2 -0.614 82.7-106.4-102.0 162.5 64.4 54.5 27.6 76 75 A G + 0 0 4 69,-0.5 218,-0.2 -27,-0.3 2,-0.2 0.170 65.7 62.4 -69.1-163.5 63.7 58.3 27.3 77 76 A G B S+L 293 0D 5 216,-1.1 216,-0.6 214,-0.1 -26,-0.4 -0.454 73.4 1.5 93.7-177.9 62.9 60.3 24.1 78 77 A G - 0 0 16 214,-0.2 2,-0.4 -2,-0.2 -26,-0.1 0.417 48.8-115.2 112.7 99.8 60.7 60.3 21.8 79 78 A A + 0 0 25 -31,-0.2 2,-0.3 -22,-0.1 -31,-0.2 -0.885 43.0 175.3 -93.6 139.4 57.4 58.9 20.5 80 79 A V E -J 47 0B 56 -33,-2.0 -33,-3.0 -2,-0.4 2,-0.4 -0.994 31.3-125.9-147.5 147.5 57.8 57.1 17.1 81 80 A Y E -J 46 0B 7 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.757 29.8-169.2 -89.8 137.0 55.9 55.0 14.6 82 81 A H E +J 45 0B 12 -37,-2.9 -37,-2.1 -2,-0.4 2,-0.3 -0.975 12.6 161.3-126.5 141.8 57.3 51.6 13.6 83 82 A D > - 0 0 18 -2,-0.4 3,-2.7 -39,-0.2 -41,-0.4 -0.908 60.3 -77.9-142.4 174.6 56.5 49.2 10.9 84 83 A L T 3 S+ 0 0 71 1,-0.3 -41,-0.1 -2,-0.3 78,-0.1 0.563 124.0 68.7 -47.8 -11.0 58.1 46.2 9.1 85 84 A G T 3 S+ 0 0 0 -43,-0.1 75,-2.4 75,-0.1 76,-2.2 0.343 83.7 85.7 -91.9 5.4 60.0 48.9 7.1 86 85 A D E < - D 0 159A 1 -3,-2.7 2,-0.6 -44,-0.3 -44,-0.3 -0.922 67.9-148.3-106.7 128.3 62.1 49.9 10.2 87 86 A L E - D 0 158A 9 71,-2.3 71,-2.8 -2,-0.5 2,-0.4 -0.877 18.8-162.6 -94.1 118.4 65.2 48.1 11.1 88 87 A N E +CD 40 157A 4 -48,-2.8 -48,-2.5 -2,-0.6 2,-0.3 -0.870 13.2 171.5-101.8 137.2 65.6 48.2 14.9 89 88 A F E -CD 39 156A 0 67,-2.0 67,-2.8 -2,-0.4 2,-0.3 -0.999 12.3-167.2-142.7 147.7 68.9 47.4 16.6 90 89 A S E -CD 38 155A 3 -52,-1.9 -52,-2.9 -2,-0.3 2,-0.4 -0.974 5.3-158.5-134.6 152.7 70.3 47.6 20.1 91 90 A V E -CD 37 154A 2 63,-3.4 63,-2.6 -2,-0.3 2,-0.5 -0.997 4.9-171.2-128.8 126.9 73.8 47.4 21.6 92 91 A V E +CD 36 153A 1 -56,-2.2 -56,-2.7 -2,-0.4 2,-0.3 -0.991 17.2 165.9-120.2 123.7 74.6 46.5 25.2 93 92 A R E - D 0 152A 81 59,-1.9 59,-2.5 -2,-0.5 -59,-0.1 -0.918 41.7 -89.8-128.3 161.6 78.2 46.8 26.5 94 93 A S E - D 0 151A 44 -61,-0.3 2,-0.4 -2,-0.3 57,-0.3 -0.328 45.0-162.7 -57.5 146.2 80.2 46.9 29.7 95 94 A S + 0 0 7 55,-2.2 55,-0.3 53,-0.1 3,-0.1 -0.998 27.3 178.5-138.9 141.0 80.6 50.4 31.1 96 95 A D S S+ 0 0 118 -2,-0.4 2,-0.3 53,-0.1 53,-0.1 0.034 74.6 34.0-124.2 21.2 83.0 51.9 33.6 97 96 A D S S- 0 0 73 51,-0.2 51,-0.2 2,-0.0 53,-0.1 -0.931 75.6-119.0-160.4 177.4 81.8 55.5 33.5 98 97 A M + 0 0 81 -2,-0.3 2,-1.5 49,-0.1 3,-0.2 -0.046 58.8 133.2-122.2 32.4 78.6 57.5 33.0 99 98 A D >> + 0 0 71 1,-0.2 4,-1.3 2,-0.1 3,-0.6 -0.612 20.8 168.5 -86.0 84.7 79.3 59.5 29.9 100 99 A I H 3> S+ 0 0 4 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.783 71.9 63.4 -72.1 -25.4 76.1 58.8 28.0 101 100 A T H 3> S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 101.4 52.3 -66.6 -33.6 77.0 61.5 25.4 102 101 A S H <> S+ 0 0 47 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.879 107.3 51.6 -67.8 -42.3 80.0 59.5 24.4 103 102 A M H X S+ 0 0 9 -4,-1.3 4,-2.7 1,-0.2 5,-0.3 0.976 110.2 48.3 -59.5 -53.6 77.9 56.4 23.9 104 103 A F H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.871 114.9 46.5 -51.1 -42.1 75.5 58.3 21.6 105 104 A R H X S+ 0 0 155 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.863 111.2 50.3 -73.8 -38.4 78.3 59.8 19.6 106 105 A T H X S+ 0 0 43 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.919 111.8 47.7 -62.7 -46.3 80.2 56.5 19.3 107 106 A M H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.923 108.1 54.7 -68.8 -42.6 77.1 54.7 18.0 108 107 A N H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.896 107.2 51.8 -50.2 -43.1 76.3 57.4 15.6 109 108 A E H X S+ 0 0 116 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.892 108.3 51.1 -65.8 -35.1 79.8 57.0 14.2 110 109 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.849 109.0 50.7 -68.9 -31.2 79.2 53.3 13.8 111 110 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.4 0.973 111.6 48.1 -68.7 -51.0 76.0 54.0 11.9 112 111 A V H X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 10,-0.3 0.919 109.3 51.6 -52.6 -51.6 77.8 56.3 9.6 113 112 A N H X S+ 0 0 40 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.853 111.2 51.4 -56.6 -31.1 80.6 53.8 9.0 114 113 A S H X S+ 0 0 0 -4,-1.5 4,-0.6 -3,-0.4 3,-0.3 0.869 107.8 48.4 -72.3 -41.7 77.9 51.3 8.1 115 114 A L H <>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 -1,-0.2 0.721 101.4 66.1 -76.6 -18.5 76.0 53.5 5.6 116 115 A R H ><5S+ 0 0 146 -4,-1.7 3,-2.1 -5,-0.2 -1,-0.2 0.899 93.3 59.8 -65.1 -39.6 79.3 54.3 3.9 117 116 A I H 3<5S+ 0 0 66 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.6 50.9 -50.9 -36.5 79.5 50.6 2.9 118 117 A L T 3<5S- 0 0 34 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.398 126.0-104.4 -83.7 2.6 76.2 51.2 1.0 119 118 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.745 74.8 141.0 80.2 25.7 77.7 54.3 -0.7 120 119 A L < - 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