==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-FEB-10 2X5O . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.ZIDAR,T.TOMASIC,R.SINK,V.RUPNIK,A.KOVAC,S.TURK,C.CONTRERAS . 440 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.0 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 33 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 0 0 4 0 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 5 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 . 0 0 0 1 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 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 75 0, 0.0 2,-0.5 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 155.0 -30.3 29.2 -0.5 2 2 A D + 0 0 121 1,-0.1 25,-0.0 2,-0.1 0, 0.0 -0.951 360.0 172.0-119.8 117.2 -33.0 31.9 -0.2 3 3 A Y > + 0 0 15 -2,-0.5 3,-2.3 24,-0.1 -1,-0.1 0.405 30.3 136.5-101.0 -2.9 -33.2 33.8 3.1 4 4 A Q T 3 S+ 0 0 148 1,-0.3 25,-0.1 25,-0.1 3,-0.1 -0.190 77.1 8.6 -54.2 131.7 -35.7 36.5 2.0 5 5 A G T 3 S+ 0 0 70 23,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.435 98.1 133.0 84.4 -8.5 -38.3 37.1 4.7 6 6 A K < - 0 0 102 -3,-2.3 2,-0.8 1,-0.0 -1,-0.3 -0.541 59.8-126.6 -80.8 148.2 -36.6 35.0 7.3 7 7 A N - 0 0 99 -2,-0.2 59,-2.9 57,-0.1 60,-1.8 -0.856 36.8-171.5 -91.2 109.2 -35.9 36.0 10.9 8 8 A V E -a 67 0A 3 -2,-0.8 24,-2.2 22,-0.3 2,-0.4 -0.881 13.2-167.0-111.3 131.4 -32.2 35.4 11.3 9 9 A V E -ab 68 32A 3 58,-2.4 60,-3.1 -2,-0.4 2,-0.5 -0.989 5.6-159.3-120.2 129.5 -30.3 35.6 14.6 10 10 A I E -ab 69 33A 2 22,-2.9 24,-2.8 -2,-0.4 2,-0.6 -0.954 5.1-157.7-106.2 121.4 -26.4 35.8 14.6 11 11 A I E +ab 70 34A 3 58,-2.9 60,-2.3 -2,-0.5 24,-0.2 -0.935 63.9 28.4-103.5 117.2 -24.7 34.7 17.8 12 12 A G - 0 0 7 22,-3.1 23,-0.1 -2,-0.6 22,-0.1 0.418 63.0-152.5 105.6 122.8 -21.2 36.2 18.1 13 13 A L > + 0 0 5 4,-0.1 4,-2.0 3,-0.1 29,-0.2 0.502 46.1 103.5 -96.4-122.3 -19.8 39.4 16.7 14 14 A G H > S- 0 0 14 27,-2.7 4,-2.9 3,-0.2 5,-0.2 -0.107 97.9 -47.6 59.0-173.2 -16.1 40.0 15.8 15 15 A L H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 142.8 46.8 -64.5 -37.5 -15.0 39.9 12.2 16 16 A T H > S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 112.5 49.0 -74.0 -38.5 -16.7 36.7 11.4 17 17 A G H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.938 111.4 51.4 -63.5 -37.5 -20.0 37.8 13.0 18 18 A L H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.3 -1,-0.2 0.868 105.0 55.8 -64.1 -36.1 -19.7 41.0 11.0 19 19 A S H X S+ 0 0 8 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.3 0.855 108.1 48.8 -65.0 -36.5 -19.2 39.0 7.9 20 20 A C H X S+ 0 0 5 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.911 109.9 50.8 -67.1 -43.3 -22.4 37.2 8.6 21 21 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.953 112.9 46.3 -56.1 -47.8 -24.3 40.5 9.2 22 22 A D H X S+ 0 0 90 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.870 107.4 57.7 -65.9 -36.0 -23.0 41.9 5.9 23 23 A F H < S+ 0 0 12 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.936 112.2 40.5 -61.3 -45.4 -23.9 38.7 4.1 24 24 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-1.5 0.939 112.6 53.4 -72.6 -42.3 -27.5 38.9 5.1 25 25 A L H ><5S+ 0 0 60 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.907 105.5 55.1 -58.2 -38.5 -27.8 42.7 4.6 26 26 A A T 3<5S+ 0 0 85 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.702 107.5 51.0 -68.9 -18.0 -26.5 42.4 1.1 27 27 A R T < 5S- 0 0 104 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.194 125.1-102.6-102.2 11.9 -29.3 39.9 0.4 28 28 A G T < 5S+ 0 0 63 -3,-2.0 2,-0.5 1,-0.2 -23,-0.3 0.839 84.3 124.0 75.3 29.9 -31.9 42.2 1.7 29 29 A V < - 0 0 7 -5,-2.1 -1,-0.2 -25,-0.1 -2,-0.2 -0.992 50.4-151.7-125.3 121.8 -32.3 40.5 5.1 30 30 A T - 0 0 94 -2,-0.5 -22,-0.3 -24,-0.1 2,-0.1 -0.840 20.5-165.4 -94.0 107.8 -31.8 42.4 8.3 31 31 A P - 0 0 1 0, 0.0 20,-0.4 0, 0.0 2,-0.4 -0.349 15.4-126.3 -83.9 169.3 -30.5 39.9 11.0 32 32 A R E -b 9 0A 60 -24,-2.2 -22,-2.9 18,-0.1 2,-0.4 -0.911 22.8-145.9-110.8 150.3 -30.4 40.5 14.7 33 33 A V E +bc 10 52A 2 18,-2.3 20,-2.0 -2,-0.4 2,-0.3 -0.932 17.7 176.5-118.5 136.2 -27.2 40.0 16.6 34 34 A M E +bc 11 53A 0 -24,-2.8 -22,-3.1 -2,-0.4 2,-0.3 -0.973 1.5 177.5-132.4 155.6 -26.6 38.7 20.1 35 35 A D E - c 0 54A 5 18,-1.8 20,-1.3 21,-0.5 21,-0.8 -0.959 31.3-137.5-153.7 134.1 -23.3 38.0 22.0 36 36 A T S S+ 0 0 62 -2,-0.3 2,-0.2 19,-0.2 21,-0.1 0.671 84.6 87.9 -69.3 -18.6 -22.8 36.8 25.6 37 37 A R S S- 0 0 88 1,-0.1 18,-1.4 19,-0.1 19,-0.2 -0.613 79.5-134.6 -77.5 145.5 -20.0 39.3 26.0 38 38 A M S S+ 0 0 130 1,-0.3 -1,-0.1 16,-0.2 18,-0.1 0.931 100.1 17.3 -70.3 -41.5 -21.0 42.9 27.2 39 39 A T S S- 0 0 116 15,-0.1 -1,-0.3 16,-0.1 3,-0.1 -0.742 88.3-167.3-127.9 78.5 -18.8 44.7 24.6 40 40 A P > - 0 0 5 0, 0.0 3,-1.7 0, 0.0 -5,-0.0 -0.285 35.3 -85.1 -66.4 153.5 -18.0 42.2 22.0 41 41 A P T 3 S+ 0 0 73 0, 0.0 -27,-2.7 0, 0.0 -4,-0.1 -0.308 114.9 22.2 -56.1 136.4 -15.2 42.9 19.4 42 42 A G T >> S+ 0 0 28 -29,-0.2 3,-1.8 -3,-0.1 4,-0.6 0.417 79.1 129.0 88.0 1.2 -16.6 44.8 16.5 43 43 A L G X4 S+ 0 0 37 -3,-1.7 3,-1.5 1,-0.3 -1,-0.0 0.896 71.5 55.0 -57.4 -41.3 -19.6 46.3 18.2 44 44 A D G 34 S+ 0 0 161 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.636 105.6 55.0 -68.2 -12.2 -18.7 49.8 17.1 45 45 A K G <4 S+ 0 0 161 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.500 82.2 101.8 -95.7 -10.3 -18.7 48.5 13.5 46 46 A L S << S- 0 0 9 -3,-1.5 6,-0.0 -4,-0.6 -28,-0.0 -0.662 82.2-115.7 -74.6 117.7 -22.2 47.1 13.7 47 47 A P > - 0 0 57 0, 0.0 3,-2.7 0, 0.0 -2,-0.1 -0.243 16.2-122.3 -54.9 143.8 -24.6 49.5 11.9 48 48 A E T 3 S+ 0 0 186 1,-0.3 4,-0.1 3,-0.0 -2,-0.0 0.834 110.1 69.8 -55.7 -26.8 -27.3 51.1 14.2 49 49 A A T 3 S+ 0 0 86 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.706 84.2 80.1 -61.8 -22.9 -29.9 49.6 11.9 50 50 A V S < S- 0 0 0 -3,-2.7 -18,-0.1 -18,-0.0 2,-0.1 -0.831 82.6-133.6 -93.8 116.4 -29.0 46.1 13.1 51 51 A E - 0 0 109 -2,-0.6 -18,-2.3 -20,-0.4 2,-0.3 -0.417 29.8-174.6 -65.3 143.0 -30.6 45.3 16.5 52 52 A R E -c 33 0A 80 -20,-0.2 2,-0.4 -2,-0.1 -18,-0.2 -0.992 23.0-163.2-144.2 156.1 -28.4 43.8 19.0 53 53 A H E -c 34 0A 48 -20,-2.0 -18,-1.8 -2,-0.3 2,-0.3 -0.997 21.2-176.6-138.2 121.9 -28.4 42.2 22.5 54 54 A T E +c 35 0A 42 -2,-0.4 -16,-0.2 -20,-0.2 -18,-0.2 -0.819 53.3 41.7-124.5 161.4 -25.2 41.8 24.5 55 55 A G S S+ 0 0 27 -18,-1.4 2,-0.3 -20,-1.3 -19,-0.2 0.319 117.2 16.7 91.1 -8.0 -24.1 40.4 27.8 56 56 A S S S- 0 0 57 -21,-0.8 -21,-0.5 -19,-0.2 2,-0.3 -0.943 89.6 -86.6-173.9 165.5 -26.3 37.2 27.5 57 57 A L - 0 0 19 -2,-0.3 2,-0.6 -23,-0.1 -3,-0.1 -0.714 37.1-135.2 -84.7 146.3 -28.3 35.2 25.0 58 58 A N > - 0 0 23 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.946 15.0-169.2-105.5 104.8 -31.8 36.4 24.4 59 59 A D H > S+ 0 0 84 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.779 85.4 62.2 -69.5 -22.5 -34.2 33.4 24.4 60 60 A E H > S+ 0 0 161 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.949 110.8 39.9 -65.5 -41.7 -37.1 35.5 23.1 61 61 A W H 4 S+ 0 0 33 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.900 116.6 49.1 -73.4 -39.0 -35.1 36.2 20.0 62 62 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.946 111.6 47.4 -70.8 -42.0 -33.7 32.7 19.6 63 63 A M H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.660 112.1 52.5 -73.4 -17.6 -37.1 31.0 20.0 64 64 A A T 3< S+ 0 0 55 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.462 90.9 109.2 -85.6 -11.3 -38.6 33.4 17.5 65 65 A A < - 0 0 6 -3,-1.4 -57,-0.2 -4,-0.5 3,-0.1 -0.374 53.1-162.5 -74.3 149.4 -35.9 32.8 14.8 66 66 A D S S+ 0 0 70 -59,-2.9 24,-0.7 1,-0.3 2,-0.3 0.645 88.4 17.2 -86.1 -28.0 -36.2 30.9 11.5 67 67 A L E -ad 8 90A 4 -60,-1.8 -58,-2.4 22,-0.1 2,-0.5 -0.980 65.3-160.6-147.7 134.3 -32.4 30.5 11.3 68 68 A I E -ad 9 91A 0 22,-2.6 24,-2.7 -2,-0.3 2,-0.7 -0.966 6.0-158.7-117.4 130.1 -29.7 30.9 14.0 69 69 A V E -ad 10 92A 2 -60,-3.1 -58,-2.9 -2,-0.5 2,-0.5 -0.920 16.2-160.1-110.4 108.7 -26.1 31.4 12.8 70 70 A A E -a 11 0A 3 22,-2.6 24,-0.3 -2,-0.7 -58,-0.1 -0.761 13.5-130.1 -98.9 124.2 -23.8 30.3 15.6 71 71 A S > - 0 0 17 -60,-2.3 3,-1.6 -2,-0.5 -59,-0.0 -0.310 24.0-120.7 -54.7 147.4 -20.2 31.5 15.9 72 72 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.678 110.7 70.5 -64.0 -12.8 -17.8 28.6 16.5 73 73 A G T 3 S+ 0 0 26 2,-0.1 2,-0.4 88,-0.0 -61,-0.1 0.652 87.3 73.1 -84.9 -3.6 -16.9 30.4 19.7 74 74 A I S < S- 0 0 24 -3,-1.6 2,-0.3 -63,-0.2 -63,-0.0 -0.834 92.2-109.5-109.6 134.3 -20.3 29.6 21.3 75 75 A A > - 0 0 42 -2,-0.4 3,-1.9 1,-0.2 6,-0.2 -0.474 14.8-148.0 -64.5 127.5 -21.0 26.1 22.5 76 76 A L T 3 S+ 0 0 54 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.0 0.842 100.8 58.7 -64.0 -24.5 -23.6 24.4 20.4 77 77 A A T 3 S+ 0 0 87 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.329 73.9 133.5 -89.3 9.2 -24.7 22.5 23.5 78 78 A H X> - 0 0 56 -3,-1.9 4,-2.5 1,-0.1 3,-0.8 -0.331 69.0-119.6 -58.9 133.8 -25.5 25.9 25.3 79 79 A P H 3> S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.868 113.2 54.4 -56.5 -32.8 -28.9 25.4 26.9 80 80 A S H 3> S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.881 112.5 44.4 -61.6 -38.0 -30.4 28.3 24.9 81 81 A L H <> S+ 0 0 0 -3,-0.8 4,-2.9 -6,-0.2 -1,-0.2 0.873 110.3 52.1 -75.8 -34.5 -29.2 26.6 21.7 82 82 A S H X S+ 0 0 52 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.893 108.7 53.2 -67.1 -38.3 -30.3 23.1 22.6 83 83 A A H X S+ 0 0 43 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.919 110.5 45.9 -59.4 -42.5 -33.8 24.5 23.4 84 84 A A H <>S+ 0 0 0 -4,-1.4 5,-2.3 1,-0.2 3,-0.5 0.950 114.0 49.8 -68.9 -39.3 -33.9 26.2 19.9 85 85 A A H ><5S+ 0 0 48 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.894 107.7 52.7 -62.2 -44.6 -32.7 22.9 18.3 86 86 A D H 3<5S+ 0 0 134 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.790 105.5 55.9 -60.2 -32.1 -35.3 20.8 20.1 87 87 A A T 3<5S- 0 0 62 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.431 122.8-107.1 -83.8 1.2 -37.9 23.2 18.8 88 88 A G T < 5 + 0 0 67 -3,-1.6 2,-0.5 1,-0.3 -3,-0.2 0.665 65.4 154.0 89.3 9.9 -36.8 22.5 15.3 89 89 A I < - 0 0 23 -5,-2.3 -1,-0.3 -6,-0.1 -22,-0.1 -0.708 48.3-114.8 -80.3 125.5 -35.1 25.8 14.6 90 90 A E E -d 67 0A 93 -24,-0.7 -22,-2.6 -2,-0.5 2,-0.4 -0.337 30.4-165.8 -63.8 131.7 -32.3 25.5 12.0 91 91 A I E +d 68 0A 38 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.988 18.8 153.8-122.3 123.4 -28.8 26.2 13.4 92 92 A V E -d 69 0A 3 -24,-2.7 -22,-2.6 -2,-0.4 2,-0.2 -0.830 27.5-137.2-131.0 174.5 -25.8 26.8 11.0 93 93 A G > - 0 0 0 72,-1.0 4,-2.0 -2,-0.3 3,-0.2 -0.726 39.3 -87.1-123.9-176.0 -22.5 28.6 11.0 94 94 A D H > S+ 0 0 5 -24,-0.3 4,-2.4 -2,-0.2 5,-0.1 0.879 123.8 56.2 -59.3 -37.5 -20.6 30.9 8.6 95 95 A I H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.887 106.5 50.9 -62.5 -39.3 -18.9 28.0 6.8 96 96 A E H > S+ 0 0 0 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.926 109.6 49.6 -62.2 -47.0 -22.4 26.5 6.1 97 97 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.922 113.5 48.1 -56.2 -41.5 -23.6 29.8 4.6 98 98 A F H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-1.4 0.943 107.9 52.8 -64.8 -43.3 -20.4 29.9 2.5 99 99 A C H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.0 58.0 -65.4 -35.1 -20.7 26.3 1.2 100 100 A R H 3< S+ 0 0 66 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.736 118.4 30.8 -65.1 -23.6 -24.2 27.0 0.0 101 101 A E H << S+ 0 0 48 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.629 85.9 119.7-106.2 -27.5 -23.1 29.9 -2.2 102 102 A A < - 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0 0 25 -19,-2.6 -17,-0.3 -2,-0.4 -14,-0.1 -0.895 41.6-118.1-134.1 170.2 5.2 33.3 37.7 388 388 A E S S+ 0 0 123 -2,-0.3 -18,-2.4 -19,-0.2 2,-0.3 0.967 92.4 27.5 -72.4 -46.8 1.9 35.0 37.1 389 389 A T S > S- 0 0 47 -20,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.715 73.5-119.1-122.1 162.5 2.8 36.4 33.6 390 390 A M H > S+ 0 0 1 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 114.7 55.9 -62.4 -38.4 4.9 35.6 30.6 391 391 A E H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 106.9 49.0 -64.2 -42.3 6.8 38.9 31.1 392 392 A Q H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 111.0 50.5 -59.3 -42.9 7.7 38.0 34.6 393 393 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.919 110.6 49.6 -63.2 -39.4 8.9 34.6 33.4 394 394 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.895 111.2 47.6 -65.0 -44.6 11.0 36.2 30.7 395 395 A R H < S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.800 112.3 51.4 -69.8 -23.6 12.6 38.7 33.1 396 396 A L H < S+ 0 0 56 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.930 116.5 38.3 -77.2 -42.4 13.3 35.8 35.5 397 397 A L H >X S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 4,-0.5 0.820 98.6 76.5 -79.5 -32.7 15.0 33.6 32.9 398 398 A A G >< S+ 0 0 17 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.872 90.2 53.0 -57.0 -45.2 16.9 36.2 31.0 399 399 A P G 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.760 108.8 53.6 -59.4 -20.2 19.8 36.8 33.5 400 400 A R G <4 S+ 0 0 92 -3,-1.8 2,-0.2 -4,-0.3 -2,-0.2 0.500 81.3 114.3 -89.1 -6.5 20.4 33.0 33.5 401 401 A V << - 0 0 25 -3,-1.7 -89,-0.1 -4,-0.5 6,-0.0 -0.493 44.8-174.2 -75.8 129.7 20.8 32.7 29.7 402 402 A Q > - 0 0 118 -2,-0.2 3,-2.2 -64,-0.1 -64,-0.2 -0.891 39.1 -78.4-116.8 156.9 24.3 31.7 28.5 403 403 A P T 3 S+ 0 0 97 0, 0.0 -91,-0.2 0, 0.0 -92,-0.2 -0.263 120.5 34.9 -51.6 132.6 25.8 31.4 25.0 404 404 A G T 3 S+ 0 0 21 -93,-3.1 -67,-2.4 1,-0.4 -68,-0.6 0.154 94.7 119.1 103.5 -13.8 24.6 28.1 23.5 405 405 A D < - 0 0 6 -3,-2.2 -92,-1.4 -69,-0.2 -1,-0.4 -0.333 51.7-144.9 -82.2 170.7 21.2 28.3 25.2 406 406 A M E -oq 313 339C 3 -68,-2.3 -66,-3.1 -94,-0.2 2,-0.6 -0.990 0.7-155.8-131.1 138.8 17.7 28.4 23.6 407 407 A V E -oq 314 340C 0 -94,-3.0 -92,-3.2 -2,-0.4 2,-0.5 -0.974 21.4-174.1-112.9 116.4 14.7 30.3 24.9 408 408 A L E -oq 315 341C 0 -68,-2.7 -66,-2.9 -2,-0.6 2,-0.9 -0.951 20.5-162.8-121.7 115.5 11.6 28.7 23.6 409 409 A L E +oq 316 342C 0 -94,-2.7 -92,-2.2 -2,-0.5 -89,-0.2 -0.864 37.7 139.6 -90.9 104.3 8.0 29.9 24.0 410 410 A S + 0 0 0 -68,-1.6 -92,-0.2 -2,-0.9 -89,-0.1 -0.643 25.6 179.4-143.2 79.1 6.0 26.9 23.2 411 411 A P - 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