==== 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-DEC-98 1B3G . COMPND 2 MOLECULE: PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,A.J.WILKINSON . 520 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 67.3 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 . 64 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 2 1 2 0 2 3 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,-0.7 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 146.1 2.3 7.7 -8.0 2 2 A D - 0 0 131 509,-0.4 511,-0.1 495,-0.0 495,-0.1 -0.906 360.0-158.9-104.0 92.6 1.5 4.1 -8.9 3 3 A V - 0 0 48 -2,-0.7 3,-0.1 1,-0.1 4,-0.1 -0.674 22.4-118.4 -76.0 119.5 -1.9 4.4 -10.8 4 4 A P > - 0 0 67 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.144 34.3 -94.4 -56.5 146.0 -3.7 1.0 -10.7 5 5 A A T 3 S+ 0 0 106 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.383 111.0 24.6 -60.7 136.9 -4.4 -0.8 -14.0 6 6 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.293 86.6 126.4 88.9 -12.1 -7.9 0.1 -15.2 7 7 A V < - 0 0 43 -3,-1.8 2,-0.5 -4,-0.1 -1,-0.3 -0.681 54.3-140.8 -81.9 140.5 -8.3 3.4 -13.4 8 8 A Q - 0 0 121 -2,-0.3 508,-2.9 508,-0.1 2,-0.3 -0.859 17.1-139.7 -96.4 128.2 -9.2 6.2 -15.7 9 9 A L B -A 515 0A 66 -2,-0.5 506,-0.3 506,-0.3 4,-0.1 -0.642 17.6-109.1 -91.4 146.6 -7.5 9.5 -14.9 10 10 A A - 0 0 17 504,-2.8 504,-0.2 -2,-0.3 506,-0.1 -0.346 22.1-126.5 -65.5 150.5 -9.0 12.9 -15.1 11 11 A D S S+ 0 0 161 1,-0.2 2,-0.7 504,-0.1 -1,-0.1 0.917 101.5 58.6 -61.4 -44.4 -7.9 15.1 -17.9 12 12 A K S S- 0 0 144 1,-0.1 2,-1.0 2,-0.1 -1,-0.2 -0.787 70.0-167.4 -96.5 111.9 -7.1 17.8 -15.3 13 13 A Q + 0 0 14 -2,-0.7 206,-3.0 204,-0.1 207,-1.1 -0.565 38.5 126.5-102.8 77.6 -4.6 16.7 -12.7 14 14 A T E -b 220 0B 36 -2,-1.0 2,-0.3 204,-0.2 207,-0.2 -0.886 36.6-162.5-127.5 154.9 -4.8 19.4 -10.0 15 15 A L E -b 221 0B 1 205,-1.8 207,-1.9 -2,-0.3 2,-0.4 -0.982 8.6-157.1-141.9 146.3 -5.4 19.1 -6.3 16 16 A V E -b 222 0B 27 -2,-0.3 226,-1.7 205,-0.2 227,-1.4 -0.997 17.4-178.8-127.4 121.9 -6.5 21.6 -3.5 17 17 A R E -bc 223 243B 2 205,-2.6 207,-2.3 -2,-0.4 2,-0.3 -0.969 25.5-132.0-120.5 139.7 -5.6 20.7 0.1 18 18 A N E -b 224 0B 2 225,-2.5 228,-0.1 -2,-0.4 205,-0.0 -0.737 18.6-169.6 -84.2 145.5 -6.4 22.7 3.2 19 19 A N - 0 0 2 205,-2.5 2,-1.3 -2,-0.3 -1,-0.1 0.149 35.3-118.2-126.5 21.0 -3.2 23.0 5.4 20 20 A G S S- 0 0 8 206,-0.3 2,-0.3 204,-0.1 377,-0.1 -0.042 77.5 -4.3 77.7 -41.6 -4.6 24.4 8.6 21 21 A S S S- 0 0 10 -2,-1.3 2,-0.2 203,-0.3 205,-0.2 -0.953 88.7 -63.9-167.9 177.2 -2.8 27.8 8.7 22 22 A E - 0 0 29 203,-0.3 376,-0.2 -2,-0.3 14,-0.1 -0.545 63.5-111.7 -75.2 136.7 -0.3 30.0 7.1 23 23 A V - 0 0 3 -2,-0.2 3,-0.1 12,-0.1 -1,-0.1 -0.382 8.5-130.1 -74.3 154.9 3.2 28.4 7.3 24 24 A Q S S- 0 0 13 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.889 81.8 -38.1 -64.3 -37.5 5.9 29.7 9.5 25 25 A S - 0 0 21 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.967 40.4-123.8-173.9 165.2 8.3 29.5 6.5 26 26 A L S S+ 0 0 8 -2,-0.3 5,-0.1 -3,-0.1 17,-0.0 0.333 80.3 107.7-105.3 5.6 9.3 27.4 3.5 27 27 A D > - 0 0 7 1,-0.1 3,-2.8 3,-0.1 4,-0.2 -0.681 68.3-143.9 -83.5 117.8 12.9 27.2 4.8 28 28 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.686 97.9 51.6 -54.2 -20.3 13.4 23.6 6.0 29 29 A H T 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.450 107.6 53.1 -98.5 0.6 15.7 24.8 8.9 30 30 A K S < S+ 0 0 81 -3,-2.8 2,-0.3 77,-0.2 -1,-0.2 0.133 95.9 84.6-115.5 12.1 13.2 27.4 10.2 31 31 A I + 0 0 4 -3,-0.4 78,-0.1 -4,-0.2 132,-0.1 -0.864 32.5 161.8-118.9 155.5 10.1 25.1 10.5 32 32 A E + 0 0 4 -2,-0.3 488,-2.8 488,-0.1 2,-0.2 0.400 49.9 82.9-147.4 5.3 8.6 22.8 13.1 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.1 1,-0.1 488,-0.2 -0.529 76.9-107.6-113.4-178.8 4.9 22.1 12.5 34 34 A V H > S+ 0 0 6 486,-2.7 4,-2.7 2,-0.2 5,-0.2 0.933 116.4 51.0 -65.9 -49.4 2.6 19.9 10.4 35 35 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.927 112.8 48.5 -56.0 -43.2 1.4 22.6 8.0 36 36 A E H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 113.4 45.9 -62.1 -47.3 5.0 23.5 7.4 37 37 A S H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.821 103.5 63.3 -70.0 -28.7 6.1 19.9 6.7 38 38 A N H < S+ 0 0 2 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.908 112.4 36.1 -58.2 -47.1 3.1 19.2 4.5 39 39 A V H >X S+ 0 0 0 -4,-1.3 3,-1.8 -5,-0.2 4,-1.2 0.954 113.9 58.7 -71.4 -44.1 4.4 21.8 2.0 40 40 A S H >X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.3 3,-0.6 0.866 97.5 60.2 -55.2 -40.2 8.1 20.9 2.7 41 41 A R H 3< S+ 0 0 11 -4,-2.6 149,-0.3 1,-0.3 -1,-0.3 0.772 106.7 46.5 -58.6 -32.1 7.7 17.2 1.6 42 42 A D H <4 S+ 0 0 2 -3,-1.8 149,-2.0 -4,-0.5 -1,-0.3 0.712 122.1 35.3 -81.0 -25.8 6.6 18.3 -1.9 43 43 A L H << S+ 0 0 1 -4,-1.2 146,-3.5 -3,-0.6 145,-1.0 0.759 117.2 40.1 -95.4 -39.6 9.4 20.8 -2.3 44 44 A F < - 0 0 5 -4,-2.9 2,-0.5 144,-0.3 -1,-0.2 -0.954 62.3-161.7-120.3 126.5 12.5 19.4 -0.6 45 45 A E - 0 0 6 -2,-0.5 4,-0.1 -3,-0.1 -4,-0.1 -0.909 7.1-162.2-112.2 128.7 13.7 15.8 -0.6 46 46 A G - 0 0 4 -2,-0.5 14,-2.7 2,-0.4 15,-0.3 0.111 47.0 -73.8 -85.5-160.1 16.1 14.3 1.9 47 47 A L S S+ 0 0 0 117,-0.4 12,-2.2 112,-0.3 14,-1.7 0.873 117.9 18.5 -68.2 -42.8 18.2 11.1 1.8 48 48 A L E -N 58 0D 0 111,-0.7 -2,-0.4 10,-0.3 2,-0.3 -0.897 68.4-165.3-123.6 160.0 15.2 8.9 2.5 49 49 A I E -N 57 0D 12 8,-2.6 8,-2.7 -2,-0.3 2,-0.3 -0.901 30.5-100.8-136.9 166.4 11.4 9.5 2.1 50 50 A S E -N 56 0D 3 -2,-0.3 5,-0.1 6,-0.2 2,-0.0 -0.691 34.1-133.1 -83.8 141.9 8.4 7.6 3.4 51 51 A D > - 0 0 52 4,-2.3 3,-2.1 -2,-0.3 455,-0.1 -0.257 45.6 -78.8 -76.4-171.2 6.6 5.4 0.8 52 52 A V T 3 S+ 0 0 59 1,-0.3 447,-0.4 2,-0.1 450,-0.4 0.714 135.8 46.7 -66.1 -16.1 2.8 5.6 0.5 53 53 A E T 3 S- 0 0 80 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.486 122.7-103.1-106.0 5.4 2.4 3.4 3.7 54 54 A G S < S+ 0 0 17 -3,-2.1 -2,-0.1 1,-0.3 3,-0.0 0.477 70.5 143.7 96.1 -5.1 5.0 5.4 5.7 55 55 A H - 0 0 96 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.3 -0.550 61.7-104.5 -77.3 141.1 8.0 3.0 5.5 56 56 A P E +N 50 0D 46 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.415 57.2 166.2 -56.8 128.1 11.4 4.7 5.3 57 57 A S E -N 49 0D 26 -8,-2.7 -8,-2.6 -3,-0.0 4,-0.1 -0.929 41.7 -56.3-144.7 172.0 12.4 4.3 1.6 58 58 A P E +N 48 0D 56 0, 0.0 -10,-0.3 0, 0.0 4,-0.2 -0.268 52.7 163.2 -57.4 133.1 15.0 5.7 -0.8 59 59 A G S S- 0 0 0 -12,-2.2 -12,-0.2 2,-0.7 -11,-0.2 0.297 79.0 -28.1-112.9-114.5 15.0 9.4 -1.3 60 60 A V S S+ 0 0 0 -14,-2.7 17,-3.0 -12,-0.1 2,-0.5 0.890 134.1 75.2 -68.5 -32.8 18.1 11.1 -2.9 61 61 A A E -O 76 0E 0 -14,-1.7 -2,-0.7 15,-0.3 15,-0.3 -0.637 64.1-173.0 -77.3 118.5 19.9 8.1 -1.4 62 62 A E E S- 0 0 82 13,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.699 72.3 -2.7 -87.4 -21.0 19.2 5.1 -3.5 63 63 A K E -O 75 0E 116 12,-1.3 12,-2.9 2,-0.0 -1,-0.3 -0.986 65.5-176.7-164.1 156.9 21.0 2.8 -1.1 64 64 A W E -O 74 0E 65 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.987 7.1-160.8-154.1 163.4 23.0 3.0 2.2 65 65 A E E -O 73 0E 91 8,-1.8 8,-2.9 -2,-0.3 2,-0.3 -0.911 8.5-148.9-141.8 167.7 24.9 0.9 4.7 66 66 A N E -O 72 0E 55 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.988 8.0-145.4-138.7 152.7 26.1 1.3 8.2 67 67 A K E >> S-O 71 0E 128 4,-2.3 3,-2.2 -2,-0.3 4,-1.7 -0.979 87.7 -24.1-117.2 114.5 29.0 0.0 10.2 68 68 A D T 34 S- 0 0 108 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.640 108.7 -77.2 57.7 23.6 28.1 -0.8 13.8 69 69 A F T 34 S+ 0 0 91 2,-0.2 83,-2.2 82,-0.2 -1,-0.3 0.654 126.8 86.2 60.9 21.9 25.1 1.6 13.6 70 70 A K T <4 S+ 0 0 81 -3,-2.2 78,-3.8 1,-0.3 2,-0.5 0.738 80.5 46.2-123.3 -33.0 27.7 4.4 14.0 71 71 A V E < -OP 67 147E 43 -4,-1.7 -4,-2.3 76,-0.2 2,-0.5 -0.975 69.0-170.3-119.0 115.8 29.0 5.2 10.5 72 72 A W E -OP 66 146E 7 74,-2.7 74,-3.4 -2,-0.5 2,-0.5 -0.897 3.3-163.8-110.1 122.1 26.2 5.5 7.9 73 73 A T E -OP 65 145E 26 -8,-2.9 -8,-1.8 -2,-0.5 2,-0.5 -0.957 3.3-164.0-113.5 120.4 27.1 5.8 4.2 74 74 A F E -OP 64 144E 0 70,-3.2 70,-2.3 -2,-0.5 2,-0.7 -0.914 8.9-151.8-108.7 124.2 24.5 7.0 1.7 75 75 A H E -OP 63 143E 60 -12,-2.9 -13,-2.8 -2,-0.5 -12,-1.3 -0.874 19.5-145.9 -94.9 110.0 24.9 6.5 -2.1 76 76 A L E -O 61 0E 3 66,-2.6 -15,-0.3 -2,-0.7 -16,-0.1 -0.638 21.2-107.4 -83.4 131.7 23.1 9.3 -3.9 77 77 A R > - 0 0 23 -17,-3.0 3,-1.2 -2,-0.3 11,-0.2 -0.310 24.4-131.4 -59.7 138.7 21.3 8.6 -7.2 78 78 A E T 3 S+ 0 0 148 1,-0.2 -1,-0.1 9,-0.1 10,-0.1 0.837 102.4 54.2 -66.1 -28.2 23.3 10.1 -10.0 79 79 A N T 3 S+ 0 0 79 8,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.397 71.8 127.3 -92.5 17.1 20.2 11.8 -11.6 80 80 A A < + 0 0 3 -3,-1.2 8,-2.5 -20,-0.2 2,-0.3 -0.486 38.9 174.2 -68.2 127.1 19.0 13.7 -8.5 81 81 A K B -R 87 0F 87 128,-0.3 130,-0.3 6,-0.3 2,-0.2 -0.948 31.0-126.1-135.7 156.7 18.6 17.3 -9.6 82 82 A W > - 0 0 6 4,-2.5 3,-1.8 -2,-0.3 106,-0.3 -0.483 45.9 -93.8 -83.4 170.6 17.3 20.7 -8.2 83 83 A S T 3 S+ 0 0 23 104,-2.1 105,-0.1 1,-0.3 126,-0.1 0.635 124.9 59.4 -68.2 -18.2 14.7 22.6 -10.1 84 84 A D T 3 S- 0 0 86 103,-0.1 -1,-0.3 2,-0.1 102,-0.0 0.336 121.5-107.0 -89.0 9.3 17.3 24.7 -12.0 85 85 A G S < S+ 0 0 24 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.0 0.358 76.6 132.6 88.0 -5.5 18.7 21.5 -13.4 86 86 A T - 0 0 66 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.414 62.7 -93.8 -81.6 152.3 21.9 21.3 -11.3 87 87 A P B -R 81 0F 74 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.254 24.2-130.5 -61.2 147.7 22.9 18.1 -9.5 88 88 A V - 0 0 2 -8,-2.5 2,-0.3 -11,-0.2 -8,-0.2 -0.878 41.5-178.4 -90.9 126.2 21.9 17.4 -6.0 89 89 A T >> - 0 0 20 -2,-0.5 3,-1.3 1,-0.1 4,-1.0 -0.896 45.2-103.9-122.6 177.8 25.2 16.3 -4.4 90 90 A A H 3> S+ 0 0 0 51,-2.4 4,-2.1 50,-0.3 5,-0.2 0.772 119.3 62.2 -64.9 -26.1 26.6 15.1 -1.1 91 91 A H H 3> S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.788 95.6 60.1 -71.8 -29.6 28.1 18.6 -0.6 92 92 A D H <> S+ 0 0 27 -3,-1.3 4,-2.4 1,-0.2 75,-0.4 0.926 108.4 45.0 -57.4 -45.2 24.5 19.9 -0.6 93 93 A F H X S+ 0 0 0 -4,-1.0 4,-3.3 2,-0.2 5,-0.3 0.891 111.3 51.7 -64.0 -41.0 23.8 17.7 2.4 94 94 A V H X S+ 0 0 23 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.965 114.1 43.6 -59.5 -52.4 27.1 18.7 4.2 95 95 A Y H X S+ 0 0 35 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.948 115.7 50.1 -55.3 -53.0 26.3 22.3 3.8 96 96 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.950 110.6 45.3 -55.5 -52.2 22.7 21.7 4.8 97 97 A W H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.848 112.9 52.9 -66.5 -25.5 23.3 19.7 8.0 98 98 A Q H X S+ 0 0 38 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.910 108.1 49.7 -70.1 -43.1 26.0 22.2 9.1 99 99 A R H < S+ 0 0 37 -4,-2.2 6,-0.3 1,-0.2 -2,-0.2 0.912 110.3 51.7 -63.2 -36.7 23.5 25.1 8.7 100 100 A L H < S+ 0 0 0 -4,-2.2 7,-0.4 1,-0.2 -1,-0.2 0.912 112.2 46.4 -62.6 -39.2 21.0 23.2 10.7 101 101 A A H < S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.886 90.4 101.2 -72.0 -33.0 23.6 22.7 13.5 102 102 A D >X - 0 0 51 -4,-2.3 3,-2.5 1,-0.2 4,-0.7 -0.331 68.0-143.0 -63.2 124.1 24.8 26.3 13.5 103 103 A P G >4 S+ 0 0 59 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.727 97.8 66.2 -56.4 -32.8 23.4 28.4 16.3 104 104 A N G 34 S+ 0 0 147 1,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.737 95.7 55.9 -66.8 -23.0 23.2 31.4 14.1 105 105 A T G <4 S- 0 0 11 -3,-2.5 -1,-0.2 -6,-0.3 -5,-0.1 0.750 93.5-154.2 -72.8 -26.4 20.4 29.7 12.0 106 106 A A << - 0 0 77 -3,-0.7 -2,-0.1 -4,-0.7 -5,-0.1 0.924 18.1-171.2 56.1 47.0 18.5 29.3 15.3 107 107 A S > - 0 0 7 -7,-0.4 3,-1.9 -5,-0.3 4,-0.3 -0.557 30.0-144.3 -70.0 139.7 16.6 26.3 14.0 108 108 A P T 3 S+ 0 0 18 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.724 108.2 50.5 -66.6 -25.7 13.8 25.0 16.2 109 109 A Y T > S+ 0 0 0 -80,-0.4 3,-1.8 1,-0.1 4,-0.4 0.204 71.0 115.3-102.6 23.4 15.0 21.7 15.0 110 110 A A T X S+ 0 0 15 -3,-1.9 3,-1.6 1,-0.3 4,-0.5 0.916 75.1 59.0 -52.3 -42.2 18.7 22.2 15.8 111 111 A S T 3> S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.3 -1,-0.3 0.633 78.3 85.5 -69.9 -7.1 18.4 19.3 18.3 112 112 A Y H <> S+ 0 0 3 -3,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.875 89.6 54.2 -59.3 -34.3 17.3 16.8 15.6 113 113 A L H <>>S+ 0 0 2 -3,-1.6 5,-2.0 -4,-0.4 4,-0.5 0.833 107.2 50.8 -73.9 -23.2 21.1 16.3 15.1 114 114 A Q H 45S+ 0 0 17 -4,-0.5 3,-0.4 -3,-0.2 -2,-0.2 0.894 105.4 55.7 -72.2 -36.4 21.4 15.6 18.8 115 115 A Y H <5S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.849 113.7 39.8 -67.3 -35.7 18.6 13.1 18.5 116 116 A G H <5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.520 108.4-132.0 -85.7 -5.9 20.6 11.2 15.8 117 117 A H T <5 - 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