==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 10-NOV-98 1B0H . COMPND 2 MOLECULE: PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR T.G.DAVIES,J.R.H.TAME . 520 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.2 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 3 1 1 2 0 1 4 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 5 2 1 2 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 16 0, 0.0 2,-0.6 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 152.7 2.4 7.5 -8.1 2 2 A D - 0 0 133 509,-0.4 511,-0.1 495,-0.0 495,-0.1 -0.927 360.0-157.1-117.0 94.5 1.7 3.9 -9.0 3 3 A V - 0 0 54 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.680 20.8-119.8 -78.0 120.6 -1.7 4.0 -10.9 4 4 A P > - 0 0 64 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.230 35.8 -89.7 -59.8 144.8 -3.4 0.6 -10.8 5 5 A A T 3 S+ 0 0 106 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.275 111.2 18.9 -52.9 135.0 -4.2 -1.3 -14.0 6 6 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.190 84.8 129.8 88.6 -16.8 -7.6 -0.3 -15.3 7 7 A V < - 0 0 45 -3,-2.2 2,-0.6 1,-0.0 -1,-0.3 -0.578 53.5-137.9 -76.4 140.5 -8.1 3.0 -13.4 8 8 A Q - 0 0 120 -2,-0.2 508,-3.1 508,-0.1 2,-0.2 -0.884 18.1-139.0 -97.2 117.9 -9.1 5.7 -15.8 9 9 A L B -A 515 0A 65 -2,-0.6 506,-0.3 506,-0.3 4,-0.1 -0.532 17.1-111.0 -81.4 146.9 -7.4 9.0 -15.0 10 10 A A - 0 0 16 504,-2.8 504,-0.2 -2,-0.2 506,-0.1 -0.366 23.3-125.5 -64.1 151.9 -9.1 12.4 -15.1 11 11 A D S S+ 0 0 159 1,-0.1 2,-0.6 504,-0.1 -1,-0.1 0.931 100.9 57.0 -65.2 -41.9 -7.9 14.6 -18.0 12 12 A K S S- 0 0 144 2,-0.1 2,-0.9 1,-0.0 -1,-0.1 -0.811 70.7-164.9 -96.8 120.1 -7.1 17.4 -15.5 13 13 A Q + 0 0 12 -2,-0.6 206,-2.8 204,-0.1 207,-1.1 -0.684 38.2 130.1-105.0 76.9 -4.6 16.3 -12.8 14 14 A T E -b 220 0B 31 -2,-0.9 2,-0.4 204,-0.2 207,-0.2 -0.921 34.6-163.0-126.6 156.2 -5.0 19.0 -10.1 15 15 A L E -b 221 0B 1 205,-2.0 207,-2.6 -2,-0.3 2,-0.5 -0.988 9.8-158.9-141.4 143.4 -5.5 18.8 -6.4 16 16 A V E +b 222 0B 27 -2,-0.4 226,-2.1 205,-0.2 227,-1.4 -0.988 17.7 179.7-125.1 119.5 -6.7 21.1 -3.6 17 17 A R E -bc 223 243B 0 205,-3.1 207,-2.2 -2,-0.5 2,-0.3 -0.958 25.5-131.6-118.0 141.2 -5.7 20.2 -0.0 18 18 A N E -b 224 0B 2 225,-2.4 228,-0.1 -2,-0.4 209,-0.0 -0.708 17.8-169.1 -87.1 151.1 -6.5 22.2 3.1 19 19 A N - 0 0 2 205,-2.7 2,-1.0 -2,-0.3 -1,-0.1 0.102 33.5-119.9-129.2 18.2 -3.4 22.6 5.3 20 20 A G S S+ 0 0 10 206,-0.4 2,-0.3 204,-0.1 -2,-0.0 0.081 78.2 2.9 77.7 -36.6 -4.8 23.9 8.6 21 21 A S S S- 0 0 12 -2,-1.0 2,-0.3 203,-0.3 205,-0.2 -0.974 90.4 -69.3-166.1 174.6 -3.0 27.3 8.8 22 22 A E - 0 0 30 203,-0.3 376,-0.3 -2,-0.3 14,-0.1 -0.648 62.8-107.8 -75.0 133.4 -0.6 29.6 7.1 23 23 A V - 0 0 5 -2,-0.3 3,-0.1 12,-0.1 -1,-0.1 -0.232 12.4-133.8 -61.4 151.1 2.8 28.0 7.1 24 24 A Q S S- 0 0 17 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.873 79.8 -35.2 -64.3 -41.7 5.5 29.5 9.3 25 25 A S - 0 0 22 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.947 41.6-127.3-168.7 168.4 8.0 29.4 6.5 26 26 A L S S+ 0 0 7 -2,-0.3 5,-0.1 -3,-0.1 17,-0.0 0.277 78.7 108.0-110.4 5.1 9.0 27.3 3.5 27 27 A D > - 0 0 8 1,-0.1 3,-2.8 3,-0.1 4,-0.2 -0.714 68.8-143.1 -84.2 117.2 12.6 27.1 4.7 28 28 A P T 3 S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.712 98.8 53.4 -52.6 -24.3 13.2 23.5 5.9 29 29 A H T 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.442 107.9 49.5 -90.9 -1.1 15.4 24.8 8.7 30 30 A K S < S+ 0 0 77 -3,-2.8 2,-0.3 77,-0.2 -1,-0.2 0.096 93.8 89.4-118.2 15.9 12.8 27.3 10.1 31 31 A I + 0 0 5 -3,-0.5 132,-0.1 -4,-0.2 78,-0.1 -0.865 32.6 164.0-117.9 151.9 9.7 25.0 10.3 32 32 A E + 0 0 9 -2,-0.3 488,-2.5 488,-0.1 2,-0.2 0.420 49.5 81.5-143.1 4.3 8.4 22.8 13.1 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.5 1,-0.1 488,-0.2 -0.622 77.8-108.8-117.5 174.6 4.7 21.9 12.4 34 34 A V H > S+ 0 0 5 486,-2.6 4,-2.6 2,-0.2 5,-0.2 0.912 116.9 50.4 -62.6 -47.2 2.5 19.5 10.4 35 35 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.935 112.2 48.4 -58.9 -46.7 1.3 22.2 8.0 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.935 113.7 46.5 -57.4 -46.3 4.9 23.3 7.3 37 37 A S H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.825 102.7 63.4 -70.5 -34.6 6.0 19.7 6.7 38 38 A N H X S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.890 113.2 35.4 -52.3 -50.0 3.0 18.9 4.4 39 39 A V H >X S+ 0 0 0 -4,-1.4 3,-1.2 -3,-0.2 4,-1.0 0.898 112.3 61.7 -71.1 -42.3 4.2 21.5 1.9 40 40 A S H >X S+ 0 0 5 -4,-2.6 4,-3.1 1,-0.3 3,-0.8 0.879 96.9 58.5 -55.3 -36.0 7.9 20.7 2.6 41 41 A R H 3< S+ 0 0 13 -4,-2.3 149,-0.4 1,-0.3 -1,-0.3 0.818 105.2 49.7 -67.8 -26.7 7.6 17.1 1.4 42 42 A D H << S+ 0 0 1 -3,-1.2 149,-2.1 -4,-0.5 -1,-0.3 0.742 122.3 32.4 -79.1 -24.6 6.4 18.2 -2.0 43 43 A L H << S+ 0 0 1 -4,-1.0 146,-2.7 -3,-0.8 145,-1.2 0.764 117.0 41.5-101.4 -41.9 9.3 20.7 -2.4 44 44 A F < - 0 0 5 -4,-3.1 2,-0.5 144,-0.2 -1,-0.2 -0.979 62.7-163.2-118.6 129.0 12.4 19.4 -0.6 45 45 A E - 0 0 7 -2,-0.5 4,-0.1 -3,-0.1 115,-0.1 -0.941 7.4-164.7-117.8 126.2 13.6 15.8 -0.7 46 46 A G - 0 0 4 -2,-0.5 14,-3.0 2,-0.4 15,-0.3 0.112 46.2 -70.0 -88.1-163.2 16.1 14.4 1.7 47 47 A L S S+ 0 0 1 117,-0.4 12,-2.0 112,-0.3 14,-1.8 0.913 118.0 16.3 -59.1 -48.3 18.2 11.2 1.8 48 48 A L E -N 58 0D 1 111,-0.5 -2,-0.4 10,-0.2 2,-0.3 -0.864 68.5-164.2-122.8 158.9 15.2 8.9 2.3 49 49 A I E -N 57 0D 11 8,-2.4 8,-2.7 -2,-0.3 2,-0.3 -0.867 30.6-100.7-129.8 169.9 11.5 9.5 1.9 50 50 A S E -N 56 0D 2 -2,-0.3 5,-0.1 6,-0.2 2,-0.1 -0.761 33.5-134.5 -87.2 142.7 8.4 7.5 3.2 51 51 A D > - 0 0 52 4,-2.1 3,-2.0 -2,-0.3 455,-0.1 -0.234 45.5 -79.2 -76.2-170.4 6.8 5.2 0.6 52 52 A V T 3 S+ 0 0 58 1,-0.3 447,-0.5 2,-0.1 449,-0.4 0.588 135.1 46.0 -69.7 -12.5 2.9 5.3 0.4 53 53 A E T 3 S- 0 0 77 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.275 124.0-101.7-107.5 4.2 2.5 3.1 3.5 54 54 A G S < S+ 0 0 14 -3,-2.0 -2,-0.1 1,-0.3 3,-0.0 0.522 70.3 145.9 92.8 3.2 5.1 5.1 5.5 55 55 A H - 0 0 96 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.578 59.7-106.6 -78.0 136.3 8.2 2.8 5.2 56 56 A P E +N 50 0D 47 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.385 57.5 165.1 -58.2 131.5 11.5 4.7 5.1 57 57 A S E -N 49 0D 23 -8,-2.7 -8,-2.4 -6,-0.0 4,-0.1 -0.912 40.7 -54.2-147.6 169.0 12.6 4.3 1.4 58 58 A P E +N 48 0D 58 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.280 54.0 158.0 -52.8 130.2 15.1 5.7 -1.1 59 59 A G S S- 0 0 0 -12,-2.0 -12,-0.2 2,-0.8 -11,-0.2 0.247 80.2 -24.9-115.3-115.6 14.9 9.5 -1.6 60 60 A V S S+ 0 0 0 -14,-3.0 17,-2.8 -12,-0.1 2,-0.5 0.875 134.2 72.7 -65.0 -37.4 18.0 11.3 -3.0 61 61 A A E -O 76 0E 0 -14,-1.8 -2,-0.8 -15,-0.3 15,-0.3 -0.699 64.0-172.3 -77.6 121.5 20.0 8.3 -1.6 62 62 A E E S+ 0 0 79 13,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.723 72.4 1.0 -84.9 -25.7 19.3 5.2 -3.8 63 63 A K E -O 75 0E 112 12,-1.3 12,-3.3 2,-0.0 2,-0.3 -0.983 65.4-175.4-157.1 158.8 21.2 2.9 -1.3 64 64 A W E -O 74 0E 67 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.984 7.0-162.0-154.5 157.5 23.0 3.1 2.0 65 65 A E E -O 73 0E 94 8,-1.8 8,-3.0 -2,-0.3 2,-0.3 -0.946 9.0-149.0-135.7 164.4 25.1 1.1 4.4 66 66 A N E -O 72 0E 60 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.970 7.5-146.1-134.3 152.6 26.1 1.4 8.1 67 67 A K E >> S-O 71 0E 136 4,-2.3 3,-2.4 -2,-0.3 4,-1.8 -0.976 87.1 -27.8-120.5 109.1 29.1 0.3 10.1 68 68 A D T 34 S- 0 0 111 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.686 108.5 -76.5 58.9 27.3 28.2 -0.6 13.6 69 69 A F T 34 S+ 0 0 87 2,-0.2 83,-2.2 82,-0.2 -1,-0.3 0.626 126.8 86.7 58.1 19.6 25.2 1.9 13.4 70 70 A K T <4 S+ 0 0 85 -3,-2.4 78,-3.5 1,-0.3 2,-0.5 0.723 81.7 46.6-116.3 -33.3 27.8 4.7 13.8 71 71 A V E < -OP 67 147E 42 -4,-1.8 -4,-2.3 76,-0.2 2,-0.5 -0.964 69.1-171.4-119.7 114.9 29.0 5.5 10.3 72 72 A W E -OP 66 146E 5 74,-3.0 74,-3.3 -2,-0.5 2,-0.5 -0.947 4.7-162.2-108.9 128.5 26.3 5.7 7.7 73 73 A T E -OP 65 145E 26 -8,-3.0 -8,-1.8 -2,-0.5 2,-0.5 -0.930 3.5-162.4-117.0 121.9 27.1 6.0 4.0 74 74 A F E -OP 64 144E 0 70,-3.1 70,-2.3 -2,-0.5 2,-0.8 -0.905 8.2-151.7-109.9 124.1 24.5 7.2 1.6 75 75 A H E -OP 63 143E 56 -12,-3.3 -13,-2.4 -2,-0.5 -12,-1.3 -0.849 19.7-148.1 -94.5 106.4 24.9 6.6 -2.2 76 76 A L E -O 61 0E 4 66,-2.6 -15,-0.3 -2,-0.8 -16,-0.1 -0.574 20.4-108.0 -81.0 136.2 23.1 9.5 -3.9 77 77 A R > - 0 0 21 -17,-2.8 3,-1.5 -2,-0.2 11,-0.2 -0.325 22.3-133.0 -63.6 138.1 21.5 8.9 -7.3 78 78 A E T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.1 10,-0.1 0.799 101.9 53.3 -64.6 -26.8 23.4 10.5 -10.2 79 79 A N T 3 S+ 0 0 81 8,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.291 73.4 125.4 -95.1 15.7 20.3 12.0 -11.7 80 80 A A < + 0 0 2 -3,-1.5 8,-2.4 8,-0.2 2,-0.3 -0.529 39.8 171.8 -72.7 125.8 19.0 13.8 -8.6 81 81 A K B -R 87 0F 86 6,-0.3 130,-0.2 128,-0.3 2,-0.1 -0.990 33.4-119.8-134.9 161.0 18.6 17.5 -9.6 82 82 A W > - 0 0 5 4,-3.2 3,-2.1 -2,-0.3 106,-0.2 -0.394 45.4 -96.1 -84.4 171.0 17.2 20.8 -8.4 83 83 A S T 3 S+ 0 0 23 104,-2.5 105,-0.1 1,-0.3 126,-0.1 0.678 123.6 61.1 -67.5 -12.6 14.4 22.6 -10.2 84 84 A D T 3 S- 0 0 87 103,-0.2 -1,-0.3 2,-0.1 104,-0.1 0.276 121.5-106.2 -93.1 9.9 17.0 24.8 -12.0 85 85 A G S < S+ 0 0 28 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.0 0.304 78.4 130.3 85.2 -7.9 18.5 21.7 -13.6 86 86 A T - 0 0 64 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.433 64.1 -95.6 -80.2 152.6 21.7 21.6 -11.4 87 87 A P B -R 81 0F 78 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.343 23.3-131.3 -64.8 146.3 22.7 18.4 -9.7 88 88 A V - 0 0 2 -8,-2.4 2,-0.3 -11,-0.2 -8,-0.2 -0.867 41.4-179.9 -92.5 122.9 21.8 17.6 -6.1 89 89 A T >> - 0 0 18 -2,-0.5 4,-1.0 1,-0.1 3,-0.8 -0.809 46.7-102.8-120.8 176.1 25.1 16.5 -4.5 90 90 A A H 3> S+ 0 0 0 51,-2.3 4,-2.2 50,-0.3 5,-0.1 0.788 119.5 65.3 -63.9 -27.8 26.5 15.3 -1.2 91 91 A H H 3> S+ 0 0 89 1,-0.2 4,-2.4 50,-0.2 -1,-0.2 0.844 95.8 56.6 -63.0 -34.2 27.9 18.9 -0.8 92 92 A D H <> S+ 0 0 28 -3,-0.8 4,-2.4 1,-0.2 75,-0.5 0.913 108.5 46.5 -61.1 -42.7 24.4 20.2 -0.7 93 93 A F H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.860 110.0 53.6 -70.5 -33.1 23.7 17.9 2.3 94 94 A V H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.954 112.9 42.5 -63.3 -51.0 27.0 18.9 4.0 95 95 A Y H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 115.6 51.2 -59.2 -46.7 26.1 22.6 3.8 96 96 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 110.9 44.2 -64.2 -46.2 22.5 22.0 4.8 97 97 A W H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.862 114.0 52.3 -66.9 -33.2 23.1 19.9 7.9 98 98 A Q H X S+ 0 0 35 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.921 109.5 49.3 -64.0 -43.4 25.8 22.4 8.9 99 99 A R H < S+ 0 0 32 -4,-2.3 6,-0.3 1,-0.2 8,-0.2 0.903 109.7 51.7 -62.0 -41.4 23.3 25.2 8.5 100 100 A L H < S+ 0 0 0 -4,-2.4 7,-0.4 1,-0.2 -1,-0.2 0.920 114.0 43.9 -60.1 -42.8 20.8 23.3 10.6 101 101 A A H < S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.793 89.6 102.5 -73.2 -30.7 23.4 22.9 13.4 102 102 A D >X - 0 0 50 -4,-1.8 3,-1.8 1,-0.2 4,-0.6 -0.449 67.4-143.6 -61.1 123.7 24.7 26.4 13.3 103 103 A P G >4 S+ 0 0 61 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.813 98.4 68.5 -58.1 -28.6 23.4 28.6 16.2 104 104 A N G 34 S+ 0 0 148 1,-0.3 -5,-0.1 2,-0.1 -2,-0.1 0.830 95.9 54.2 -62.5 -27.2 23.3 31.6 13.8 105 105 A T G <4 S- 0 0 13 -3,-1.8 -1,-0.3 -6,-0.3 -5,-0.1 0.749 92.0-155.1 -72.4 -28.4 20.4 29.8 12.0 106 106 A A << - 0 0 75 -3,-1.0 -2,-0.1 -4,-0.6 -6,-0.1 0.878 18.8-171.1 55.4 43.3 18.5 29.5 15.2 107 107 A S > - 0 0 7 -5,-0.4 3,-1.8 -7,-0.4 4,-0.2 -0.426 27.5-143.0 -68.4 137.9 16.6 26.5 13.8 108 108 A P T 3 S+ 0 0 21 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.704 105.7 49.7 -70.0 -14.3 13.8 25.4 16.1 109 109 A Y T > S+ 0 0 1 -80,-0.4 3,-2.3 1,-0.1 4,-0.4 0.181 70.5 117.9-110.3 22.0 14.8 21.9 15.0 110 110 A A T X S+ 0 0 14 -3,-1.8 3,-1.4 1,-0.3 4,-0.4 0.878 70.6 63.5 -55.7 -35.7 18.6 22.2 15.7 111 111 A S T >> S+ 0 0 3 1,-0.2 4,-2.5 -4,-0.2 3,-0.8 0.637 77.5 85.0 -68.5 -5.5 18.2 19.4 18.3 112 112 A Y H <> S+ 0 0 3 -3,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.900 89.3 53.5 -62.3 -34.4 17.2 16.9 15.5 113 113 A L H <4>S+ 0 0 2 -3,-1.4 5,-2.1 -4,-0.4 -1,-0.3 0.756 106.9 51.1 -70.8 -22.7 21.0 16.4 15.0 114 114 A Q H X45S+ 0 0 19 -3,-0.8 3,-0.8 -4,-0.4 -2,-0.2 0.878 104.9 56.3 -75.2 -40.3 21.3 15.7 18.7 115 115 A Y H 3<5S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.844 113.9 39.8 -59.6 -36.0 18.5 13.1 18.5 116 116 A G T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.503 108.7-130.7 -88.3 -5.1 20.5 11.3 15.8 117 117 A H T < 5 - 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0 0 10 -3,-2.0 3,-2.0 1,-0.2 -5,-0.0 -0.451 54.9-141.7 -67.4 136.7 16.0 20.2 23.4 435 435 A S T 3 S+ 0 0 31 1,-0.3 -1,-0.2 -2,-0.2 -325,-0.1 0.713 105.4 55.4 -66.2 -17.6 15.1 22.9 20.9 436 436 A N T 3 S+ 0 0 1 -8,-0.2 2,-1.8 1,-0.1 -1,-0.3 0.375 75.7 114.7 -94.5 3.1 11.6 21.4 20.8 437 437 A N < + 0 0 12 -3,-2.0 3,-0.5 1,-0.2 -7,-0.1 -0.541 23.6 152.4 -81.3 86.4 11.1 21.7 24.6 438 438 A T + 0 0 3 -2,-1.8 -1,-0.2 1,-0.2 -31,-0.1 0.556 66.7 70.1 -90.6 -6.3 8.2 24.2 24.8 439 439 A A S S- 0 0 1 -10,-0.3 -160,-2.7 -3,-0.2 -159,-0.3 0.635 98.1-139.0 -76.9 -17.6 7.1 22.6 28.1 440 440 A H + 0 0 27 -3,-0.5 2,-0.4 1,-0.2 -2,-0.1 0.896 44.8 162.2 57.3 40.4 10.3 24.2 29.6 441 441 A Y - 0 0 7 -10,-0.1 2,-0.4 -162,-0.1 -1,-0.2 -0.762 20.0-176.8 -92.9 133.8 10.7 21.0 31.5 442 442 A K + 0 0 132 -2,-0.4 3,-0.1 -3,-0.1 -11,-0.1 -0.910 11.8 159.4-139.3 101.5 14.1 20.2 33.0 443 443 A S > - 0 0 11 -2,-0.4 4,-3.0 -13,-0.3 5,-0.2 -0.909 25.7-164.4-128.6 109.6 14.7 16.9 34.8 444 444 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.890 96.1 54.0 -55.4 -38.2 18.1 15.5 35.3 445 445 A A H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.920 110.1 46.1 -64.9 -41.1 16.6 12.2 36.1 446 446 A F H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.934 111.0 51.9 -65.1 -48.0 14.6 12.1 32.9 447 447 A D H X S+ 0 0 41 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.893 108.6 51.8 -54.2 -42.6 17.6 13.2 30.8 448 448 A K H X S+ 0 0 119 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.936 105.1 54.4 -65.3 -44.8 19.6 10.4 32.3 449 449 A L H X S+ 0 0 33 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.913 112.6 43.8 -53.4 -47.1 17.0 7.7 31.5 450 450 A I H >X S+ 0 0 11 -4,-2.0 3,-1.2 2,-0.2 4,-0.5 0.920 109.9 55.4 -66.8 -39.9 17.1 8.8 27.8 451 451 A A H >< S+ 0 0 45 -4,-2.6 3,-0.9 1,-0.3 -2,-0.2 0.912 106.0 53.4 -57.7 -40.6 20.9 9.0 27.7 452 452 A D H >< S+ 0 0 39 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.683 87.4 81.8 -68.8 -19.6 21.1 5.4 28.9 453 453 A T H << S+ 0 0 2 -3,-1.2 3,-0.4 -4,-0.7 -1,-0.2 0.800 97.3 40.5 -59.9 -30.0 18.8 4.1 26.1 454 454 A L T << S+ 0 0 13 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.294 103.3 70.1-100.7 11.0 21.7 4.0 23.6 455 455 A K S < S+ 0 0 125 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.2 0.400 92.9 63.0-101.3 -4.3 24.1 2.6 26.1 456 456 A V S S- 0 0 31 -4,-0.5 3,-0.0 -3,-0.4 0, 0.0 -0.794 72.1-152.0-108.5 155.8 22.3 -0.8 26.2 457 457 A A + 0 0 103 -2,-0.3 2,-0.4 5,-0.0 -3,-0.1 -0.236 66.2 95.4-121.0 40.1 22.3 -2.8 23.0 458 458 A D > - 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