==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-12 4FYG . COMPND 2 MOLECULE: SIDF, INHIBITOR OF GROWTH FAMILY, MEMBER 3; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR F.S.HSU,W.ZHU,L.BRENNAN,L.TAO,Z.Q.LUO,Y.MAO . 743 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 6.9 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 34 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 1 1 3 0 1 0 1 0 3 0 1 1 0 1 0 0 0 1 1 1 0 1 0 0 2 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 6 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 M 0 0 111 0, 0.0 226,-0.2 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 -32.4 -24.1 48.3 24.8 2 2 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.429 360.0-130.5 -72.3 143.6 -22.1 50.4 27.3 3 3 A R - 0 0 16 1,-0.2 203,-0.1 -2,-0.1 205,-0.0 -0.409 56.7 -59.2 -81.0 168.1 -18.3 50.1 27.8 4 4 A I + 0 0 36 1,-0.2 -1,-0.2 -2,-0.1 392,-0.1 -0.272 54.7 167.8 -59.8 129.0 -17.1 49.7 31.3 5 5 A T + 0 0 18 -3,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.266 54.1 84.8-118.1 4.0 -18.1 52.6 33.6 6 6 A E S S- 0 0 52 1,-0.1 2,-0.4 2,-0.0 329,-0.0 -0.512 96.5 -76.2 -99.9 170.8 -17.1 50.9 36.8 7 7 A N > - 0 0 10 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.560 39.5-132.9 -70.1 127.4 -13.8 50.8 38.5 8 8 A I H > S+ 0 0 7 302,-2.5 4,-2.6 -2,-0.4 5,-0.3 0.850 105.2 54.9 -48.5 -45.8 -11.5 48.3 36.8 9 9 A E H > S+ 0 0 92 301,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.951 112.2 45.4 -56.9 -43.7 -10.4 46.6 40.0 10 10 A T H > S+ 0 0 50 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.883 111.1 51.5 -65.0 -41.7 -14.0 46.1 40.8 11 11 A Y H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.907 111.6 47.4 -64.1 -39.8 -15.0 44.8 37.4 12 12 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.941 107.5 56.1 -67.0 -44.9 -12.1 42.3 37.4 13 13 A T H < S+ 0 0 42 -4,-2.3 3,-0.4 -5,-0.3 -1,-0.2 0.892 110.0 45.8 -56.7 -41.0 -13.0 41.1 40.8 14 14 A H H >< S+ 0 0 84 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.901 105.5 60.3 -67.0 -39.0 -16.6 40.3 39.6 15 15 A L H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 103.5 52.5 -62.5 -24.1 -15.3 38.6 36.5 16 16 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.422 95.8 82.8 -93.2 5.4 -13.5 36.1 38.7 17 17 A S S < S- 0 0 52 -3,-1.9 2,-0.5 -4,-0.2 -3,-0.0 0.005 100.1 -57.0 -85.1-161.0 -16.4 35.0 40.9 18 18 A D - 0 0 167 25,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.726 63.1-172.2 -76.8 121.7 -19.1 32.5 40.3 19 19 A L - 0 0 27 -2,-0.5 23,-0.1 -4,-0.1 -4,-0.0 -0.752 31.8 -90.1-115.1 163.6 -20.9 33.5 37.1 20 20 A E - 0 0 117 21,-0.4 21,-2.3 -2,-0.3 -2,-0.0 -0.636 43.4-123.8 -76.5 120.5 -24.1 32.1 35.5 21 21 A P B -A 40 0A 91 0, 0.0 19,-0.2 0, 0.0 -1,-0.1 -0.267 22.6-140.7 -55.3 146.7 -23.3 29.3 33.0 22 22 A V - 0 0 17 17,-2.4 17,-0.3 18,-0.0 5,-0.1 -0.969 12.1-123.2-118.0 132.6 -24.6 29.8 29.4 23 23 A P > - 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.334 25.8-113.0 -68.6 152.6 -26.2 27.1 27.2 24 24 A S G > S+ 0 0 95 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.875 114.9 60.4 -56.7 -43.6 -24.7 26.3 23.8 25 25 A Q G 3 S+ 0 0 151 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.728 106.3 50.2 -56.4 -22.0 -27.7 27.5 21.9 26 26 A N G < S+ 0 0 92 -3,-1.7 -1,-0.2 3,-0.0 -2,-0.2 0.503 80.8 111.5-101.7 -0.4 -27.1 31.0 23.5 27 27 A Q < - 0 0 54 -3,-1.4 3,-0.1 -4,-0.5 -3,-0.0 -0.361 63.1-139.2 -67.7 148.2 -23.4 31.6 22.8 28 28 A H S S+ 0 0 76 1,-0.2 2,-0.3 152,-0.1 -1,-0.1 0.594 84.6 10.7 -76.7 -11.7 -22.6 34.4 20.3 29 29 A L S S- 0 0 24 54,-0.0 2,-0.8 152,-0.0 -1,-0.2 -0.970 82.9-101.1-171.0 145.2 -19.9 32.3 18.7 30 30 A A + 0 0 19 -2,-0.3 50,-0.1 46,-0.2 -6,-0.0 -0.704 34.0 171.3 -85.3 109.0 -18.5 28.7 18.7 31 31 A Y - 0 0 3 -2,-0.8 -1,-0.1 6,-0.1 45,-0.1 0.659 27.3-154.3 -92.9 -14.5 -15.4 28.3 20.9 32 32 A G + 0 0 22 43,-0.1 5,-0.3 5,-0.1 4,-0.1 0.051 59.6 90.7 70.7 177.0 -15.1 24.4 20.8 33 33 A Y S >> S- 0 0 18 3,-0.1 3,-2.3 1,-0.1 4,-2.2 0.961 70.5-141.8 62.5 56.4 -13.4 22.3 23.5 34 34 A P T 34 S+ 0 0 115 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.151 83.2 17.3 -48.8 134.7 -16.5 21.7 25.6 35 35 A G T 34 S+ 0 0 60 2,-0.2 3,-0.2 1,-0.1 -2,-0.1 0.195 124.3 60.2 87.1 -20.6 -15.6 21.7 29.3 36 36 A E T <4 S+ 0 0 33 -3,-2.3 2,-1.3 1,-0.2 18,-0.4 0.814 104.6 43.2 -95.5 -57.2 -12.3 23.5 28.7 37 37 A R S < S- 0 0 14 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 -0.693 85.6-171.6 -91.9 86.6 -13.5 26.7 27.1 38 38 A Q E - B 0 52A 81 14,-1.8 14,-2.1 -2,-1.3 2,-0.5 -0.491 10.9-146.1 -86.5 149.3 -16.5 27.5 29.3 39 39 A V E + B 0 51A 10 -17,-0.3 -17,-2.4 12,-0.2 2,-0.2 -0.958 22.6 165.0-125.5 125.4 -19.0 30.3 28.6 40 40 A F E -AB 21 50A 33 10,-2.6 10,-2.2 -2,-0.5 2,-0.4 -0.740 39.2 -94.2-127.3 167.0 -20.8 32.4 31.2 41 41 A K E - B 0 49A 92 -21,-2.3 -21,-0.4 -2,-0.2 8,-0.3 -0.713 47.3-102.8 -82.4 137.0 -22.8 35.7 31.4 42 42 A D - 0 0 10 6,-3.3 6,-0.2 -2,-0.4 5,-0.2 -0.379 27.4-133.7 -52.1 129.8 -21.0 38.9 32.2 43 43 A P S S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.520 98.4 23.3 -73.3 -3.0 -21.7 39.7 35.9 44 44 A M S S+ 0 0 79 1,-0.2 2,-0.5 4,-0.1 -2,-0.0 0.670 109.8 66.4-128.6 -41.7 -22.4 43.3 35.1 45 45 A L S > S- 0 0 34 3,-0.0 3,-1.0 -44,-0.0 2,-0.4 -0.785 75.9-130.0 -97.0 129.8 -23.4 43.8 31.4 46 46 A D T 3 S+ 0 0 166 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.617 92.7 13.4 -81.8 126.5 -26.7 42.3 30.3 47 47 A G T 3 S+ 0 0 46 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.312 99.3 121.4 90.8 -9.1 -26.3 40.2 27.1 48 48 A K < - 0 0 13 -3,-1.0 -6,-3.3 -6,-0.2 -1,-0.3 -0.689 47.1-154.4 -89.0 145.3 -22.5 40.1 27.4 49 49 A Q E -B 41 0A 15 -2,-0.3 134,-2.1 -8,-0.3 2,-0.4 -0.654 5.6-152.0-120.6 166.7 -20.6 36.9 27.6 50 50 A V E -Bc 40 183A 0 -10,-2.2 -10,-2.6 132,-0.2 2,-0.4 -0.995 3.9-152.5-143.3 132.8 -17.3 35.6 29.0 51 51 A V E -Bc 39 184A 0 132,-3.0 134,-2.4 -2,-0.4 2,-0.4 -0.911 17.9-177.0-109.1 136.3 -15.1 32.8 28.1 52 52 A V E -Bc 38 185A 9 -14,-2.1 -14,-1.8 -2,-0.4 2,-0.4 -0.990 9.0-171.9-136.6 125.0 -12.9 31.3 30.8 53 53 A V E - c 0 186A 0 132,-2.0 134,-2.2 -2,-0.4 2,-0.5 -0.969 8.1-157.7-113.6 133.7 -10.2 28.5 30.6 54 54 A N E - c 0 187A 71 -2,-0.4 134,-0.2 -18,-0.4 11,-0.1 -0.915 27.9-114.8 -97.7 131.8 -8.5 26.9 33.7 55 55 A S - 0 0 10 132,-2.1 2,-0.3 -2,-0.5 134,-0.1 -0.422 35.2-175.0 -60.6 140.1 -5.2 25.3 33.1 56 56 A Q - 0 0 121 132,-0.0 8,-2.3 -2,-0.0 9,-1.1 -0.960 8.2-151.5-130.1 149.8 -5.3 21.5 33.8 57 57 A Y B -G 63 0B 97 -2,-0.3 2,-0.1 6,-0.2 -2,-0.0 -0.832 8.7-129.0-123.6 156.7 -2.3 19.2 33.7 58 58 A D > - 0 0 55 4,-2.4 3,-2.2 -2,-0.3 6,-0.0 -0.374 51.7 -80.0 -84.8 179.9 -1.4 15.6 32.9 59 59 A K T 3 S+ 0 0 197 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.656 129.9 54.6 -53.1 -22.3 0.7 13.3 35.2 60 60 A H T 3 S- 0 0 144 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.300 118.6-107.5 -99.2 6.4 4.0 14.9 34.0 61 61 A G S < S+ 0 0 44 -3,-2.2 -2,-0.1 1,-0.3 3,-0.0 0.593 76.1 137.6 76.3 12.2 2.9 18.4 34.9 62 62 A R - 0 0 33 1,-0.1 -4,-2.4 -4,-0.0 -1,-0.3 -0.662 61.7 -97.3 -91.1 148.0 2.5 19.2 31.2 63 63 A P B -G 57 0B 9 0, 0.0 -6,-0.2 0, 0.0 66,-0.1 -0.449 32.6-179.8 -70.7 131.9 -0.6 21.2 30.0 64 64 A V + 0 0 90 -8,-2.3 3,-0.4 -2,-0.2 -7,-0.2 0.742 68.2 71.8 -88.2 -36.0 -3.5 19.4 28.7 65 65 A T S S+ 0 0 4 -9,-1.1 -10,-0.1 1,-0.2 636,-0.1 -0.310 89.3 35.4 -76.1 165.6 -5.5 22.6 28.1 66 66 A G S S+ 0 0 3 1,-0.2 -1,-0.2 -2,-0.1 62,-0.1 0.845 83.9 132.8 54.0 37.8 -4.7 25.1 25.3 67 67 A Q - 0 0 21 -3,-0.4 -1,-0.2 60,-0.1 60,-0.1 -0.969 62.7-106.5-115.2 137.5 -3.6 22.3 22.8 68 68 A P - 0 0 0 0, 0.0 58,-2.0 0, 0.0 2,-0.4 -0.334 32.8-173.2 -61.2 129.5 -4.8 22.3 19.2 69 69 A D B > -H 125 0C 22 56,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.975 15.9-151.2-123.6 118.7 -7.4 19.6 18.4 70 70 A V H > S+ 0 0 0 54,-2.6 4,-2.6 -2,-0.4 5,-0.2 0.867 95.2 52.0 -60.1 -41.3 -8.2 19.3 14.7 71 71 A I H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.969 110.7 49.0 -55.9 -52.8 -11.7 18.0 15.3 72 72 A Q H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.900 113.0 45.5 -57.8 -44.5 -12.5 20.9 17.6 73 73 A E H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.919 111.5 53.5 -67.4 -37.2 -11.2 23.6 15.2 74 74 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.916 107.4 51.8 -61.3 -42.0 -13.0 21.9 12.4 75 75 A N H X S+ 0 0 41 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.954 110.8 48.2 -55.2 -49.8 -16.2 22.1 14.4 76 76 A N H X S+ 0 0 2 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.902 109.8 51.2 -59.3 -46.2 -15.5 25.8 15.0 77 77 A Y H X S+ 0 0 18 -4,-3.2 4,-2.1 2,-0.2 5,-0.3 0.964 114.1 43.3 -54.9 -55.9 -14.9 26.5 11.4 78 78 A I H >X S+ 0 0 2 -4,-2.6 4,-3.7 2,-0.2 3,-0.7 0.974 119.0 43.1 -52.6 -62.2 -18.1 24.8 10.3 79 79 A D H 3X S+ 0 0 60 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.892 116.3 47.6 -52.2 -47.7 -20.2 26.4 13.0 80 80 A N H 3X S+ 0 0 12 -4,-3.4 4,-1.1 -5,-0.2 -1,-0.3 0.755 115.3 45.0 -72.7 -22.7 -18.6 29.8 12.6 81 81 A L H X S+ 0 0 28 -4,-2.8 4,-1.6 1,-0.2 3,-1.0 0.923 113.7 49.1 -44.0 -53.4 -26.6 36.0 8.2 88 88 A L H 3< S+ 0 0 15 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.876 111.8 45.0 -63.0 -43.4 -25.7 36.6 4.5 89 89 A I H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.570 110.0 59.0 -79.7 -7.7 -28.7 34.7 3.0 90 90 A D H << S+ 0 0 79 -4,-1.4 -2,-0.2 -3,-1.0 -1,-0.2 0.824 110.7 39.7 -79.9 -37.5 -31.0 36.5 5.6 91 91 A K S < S+ 0 0 127 -4,-1.6 -2,-0.2 -5,-0.2 2,-0.1 0.334 96.2 101.9 -96.1 4.7 -30.1 40.0 4.4 92 92 A D S S- 0 0 24 -4,-0.4 5,-0.1 -5,-0.1 -3,-0.0 -0.484 77.2-118.5 -93.8 164.0 -30.0 39.3 0.6 93 93 A K S S+ 0 0 220 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.682 82.0 95.9 -69.6 -20.4 -32.6 40.2 -2.1 94 94 A K - 0 0 105 1,-0.1 3,-0.2 2,-0.0 -2,-0.1 -0.103 64.1-136.5 -76.3 166.4 -33.2 36.5 -3.1 95 95 A G S S+ 0 0 44 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.009 74.8 75.7 -96.1-153.3 -36.0 34.1 -2.0 96 96 A E > + 0 0 137 3,-0.1 4,-2.3 1,-0.1 5,-0.2 0.629 57.7 150.8 66.6 10.5 -35.6 30.5 -1.1 97 97 A K H >> + 0 0 61 1,-0.2 4,-2.4 2,-0.2 3,-0.9 0.911 66.8 40.7 -45.9 -67.6 -34.1 31.5 2.2 98 98 A D H 3> S+ 0 0 102 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.858 113.8 54.1 -54.6 -39.1 -35.1 28.7 4.5 99 99 A L H 3> S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.894 110.9 48.0 -59.7 -37.0 -34.4 26.1 1.8 100 100 A R H X S+ 0 0 35 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.977 110.2 54.1 -57.5 -63.6 -30.3 27.5 5.3 102 102 A N H 3X S+ 0 0 95 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.768 109.8 52.0 -43.5 -29.6 -31.8 24.1 6.1 103 103 A A H 3X S+ 0 0 37 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 0.930 103.0 55.4 -73.6 -47.0 -29.5 22.7 3.4 104 104 A I H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 3,-0.6 0.972 112.7 47.0 -66.7 -55.4 -14.7 14.1 10.3 116 116 A S H 3< S+ 0 0 68 -4,-3.0 5,-0.2 1,-0.2 -1,-0.2 0.885 116.7 48.9 -55.7 -38.4 -15.4 12.3 13.6 117 117 A E H 3< S+ 0 0 129 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.758 118.5 35.1 -70.4 -32.7 -15.6 9.1 11.6 118 118 A T H << S+ 0 0 83 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.627 107.0 72.5-100.4 -14.4 -12.3 9.5 9.6 119 119 A I S < S- 0 0 6 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.1 -0.875 78.5-133.3-113.9 107.0 -10.2 11.2 12.2 120 120 A P >> - 0 0 57 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.400 15.6-137.6 -57.0 107.2 -8.9 9.1 15.2 121 121 A S T 34 S+ 0 0 83 -2,-0.4 3,-0.4 1,-0.3 4,-0.2 0.715 101.0 54.1 -35.1 -36.8 -9.6 11.2 18.3 122 122 A D T >4 S+ 0 0 117 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.823 109.7 45.3 -75.9 -33.8 -6.2 10.3 19.8 123 123 A K T <4 S+ 0 0 67 -3,-1.6 20,-0.3 1,-0.2 -1,-0.2 0.412 95.1 83.2 -84.0 -3.0 -4.2 11.5 16.7 124 124 A A T 3< S+ 0 0 0 -4,-0.7 -54,-2.6 -3,-0.4 2,-0.3 0.598 79.7 77.1 -78.1 -13.2 -6.3 14.7 16.6 125 125 A K B < -H 69 0C 112 -3,-0.6 2,-0.3 -56,-0.2 -56,-0.2 -0.737 63.5-147.6-111.5 151.8 -4.3 16.5 19.1 126 126 A A - 0 0 7 -58,-2.0 2,-0.6 -2,-0.3 11,-0.1 -0.753 11.1-138.4-108.7 152.2 -0.9 18.3 19.1 127 127 A D - 0 0 33 -2,-0.3 3,-0.4 4,-0.1 604,-0.1 -0.977 12.6-169.0-105.2 120.1 1.7 18.8 21.7 128 128 A L S S+ 0 0 0 -2,-0.6 601,-0.7 1,-0.2 603,-0.1 0.650 83.2 54.9 -71.0 -20.1 3.0 22.3 21.6 129 129 A F S S+ 0 0 2 599,-0.2 -1,-0.2 -66,-0.1 2,-0.1 0.539 99.0 62.1-106.8 -5.3 5.8 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721 A Q S S+ 0 0 52 1,-0.3 2,-0.3 -303,-0.2 -1,-0.1 0.724 80.0 23.3 -91.2 -26.3 12.7 33.1 14.1 722 722 A D > - 0 0 47 -102,-0.2 3,-2.6 1,-0.1 4,-0.4 -0.890 68.2-151.0-140.6 113.9 14.5 31.5 17.1 723 723 A K G > S+ 0 0 160 -2,-0.3 3,-1.3 1,-0.3 -40,-0.1 0.766 92.7 68.4 -57.1 -25.6 13.0 28.4 18.8 724 724 A A G 3 S+ 0 0 15 1,-0.2 -41,-2.8 -42,-0.1 -1,-0.3 0.641 87.8 67.7 -69.1 -12.4 14.7 29.3 22.1 725 725 A N G < S+ 0 0 4 -3,-2.6 2,-0.4 -43,-0.2 -1,-0.2 0.701 102.2 47.8 -82.3 -19.2 12.5 32.4 22.5 726 726 A F < - 0 0 1 -3,-1.3 -1,-0.1 -4,-0.4 -33,-0.1 -0.962 60.7-148.6-134.0 145.0 9.3 30.4 23.0 727 727 A A S S+ 0 0 0 -2,-0.4 -1,-0.1 -34,-0.1 -30,-0.1 0.900 86.6 64.6 -68.8 -43.6 8.0 27.5 25.0 728 728 A D S S- 0 0 7 -32,-0.1 -599,-0.2 1,-0.1 -2,-0.1 -0.296 77.7-133.7 -78.6 169.6 5.5 26.4 22.2 729 729 A N - 0 0 17 -601,-0.7 -597,-0.1 -2,-0.1 -600,-0.1 0.060 46.3 -99.1-117.5 18.8 6.4 25.1 18.7 730 730 A G S > S+ 0 0 17 -602,-0.1 3,-3.2 1,-0.1 4,-0.4 0.271 77.5 134.6 95.1 -11.4 4.2 27.1 16.4 731 731 A L T >> + 0 0 0 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.698 61.1 64.8 -59.6 -23.7 1.6 24.4 15.9 732 732 A F H 3> S+ 0 0 10 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.722 90.7 71.8 -65.0 -18.1 -1.5 26.6 16.4 733 733 A G H <> S+ 0 0 7 -3,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.812 89.3 58.8 -67.6 -29.9 -0.3 28.3 13.2 734 734 A K H X4 S+ 0 0 68 -3,-1.1 3,-0.6 -4,-0.4 4,-0.2 0.925 111.9 39.1 -63.8 -41.0 -1.3 25.3 11.2 735 735 A V H >< S+ 0 0 0 -4,-0.8 3,-3.1 1,-0.2 4,-0.4 0.934 103.5 70.1 -75.2 -40.6 -4.9 25.6 12.4 736 736 A A H >< S+ 0 0 3 -4,-3.2 3,-0.9 1,-0.3 4,-0.5 0.785 90.0 66.7 -38.2 -33.0 -4.6 29.4 12.1 737 737 A N T