==== 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 04-JAN-99 1B4Z . COMPND 2 MOLECULE: PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,S.H.SLEIGH,A.J.WILKINSON . 520 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19624.0 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 4 1 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 15 0, 0.0 2,-0.6 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 150.5 2.2 7.4 -8.2 2 2 A D - 0 0 135 509,-0.4 511,-0.1 511,-0.0 213,-0.0 -0.947 360.0-155.5-116.1 94.0 1.5 3.8 -9.1 3 3 A V - 0 0 52 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.729 21.1-119.6 -76.8 115.7 -1.9 3.9 -11.0 4 4 A P > - 0 0 66 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.182 37.7 -84.9 -53.5 148.0 -3.6 0.5 -10.7 5 5 A A T 3 S+ 0 0 108 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.271 112.0 14.0 -53.4 133.3 -4.4 -1.4 -13.9 6 6 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.220 83.6 133.9 85.1 -12.5 -7.7 -0.2 -15.4 7 7 A V < - 0 0 43 -3,-2.0 2,-0.6 1,-0.0 -1,-0.2 -0.560 52.7-134.2 -75.9 140.7 -8.4 3.0 -13.5 8 8 A Q - 0 0 139 -2,-0.2 508,-2.6 508,-0.1 2,-0.2 -0.855 20.5-138.9 -91.0 123.4 -9.4 5.8 -15.9 9 9 A L B -A 515 0A 67 -2,-0.6 506,-0.3 506,-0.3 4,-0.1 -0.530 18.3-110.5 -85.1 147.2 -7.5 9.0 -15.1 10 10 A A - 0 0 15 504,-2.9 504,-0.2 -2,-0.2 506,-0.1 -0.381 21.4-125.2 -65.1 153.0 -9.2 12.4 -15.1 11 11 A D S S+ 0 0 161 1,-0.2 2,-0.6 504,-0.1 -1,-0.1 0.921 101.5 53.8 -65.5 -41.8 -8.2 14.7 -17.9 12 12 A K S S- 0 0 143 2,-0.1 2,-1.0 206,-0.0 -1,-0.2 -0.858 70.7-164.4-101.3 117.9 -7.2 17.4 -15.4 13 13 A Q + 0 0 13 -2,-0.6 206,-2.4 204,-0.1 207,-1.0 -0.727 39.1 131.2-104.2 74.1 -4.8 16.2 -12.7 14 14 A T E -b 220 0B 34 -2,-1.0 2,-0.3 204,-0.2 207,-0.2 -0.948 34.3-163.8-125.8 153.7 -5.1 19.0 -10.1 15 15 A L E -b 221 0B 1 205,-2.0 207,-2.5 -2,-0.3 2,-0.5 -0.983 10.2-159.1-139.8 143.5 -5.6 18.7 -6.4 16 16 A V E -b 222 0B 28 -2,-0.3 226,-1.9 205,-0.2 227,-1.4 -0.990 17.0-179.8-125.2 120.5 -6.7 21.1 -3.7 17 17 A R E -bc 223 243B 0 205,-3.1 207,-2.2 -2,-0.5 2,-0.3 -0.958 25.5-132.0-116.6 138.9 -5.8 20.2 -0.1 18 18 A N E -b 224 0B 2 225,-2.4 228,-0.1 -2,-0.4 209,-0.0 -0.709 17.5-167.2 -85.9 150.8 -6.6 22.2 3.1 19 19 A N - 0 0 2 205,-2.7 2,-0.9 -2,-0.3 19,-0.1 0.157 32.9-119.4-127.2 18.5 -3.5 22.6 5.2 20 20 A G S S- 0 0 11 206,-0.4 2,-0.3 204,-0.1 212,-0.0 -0.046 78.1 -0.4 74.2 -31.5 -4.9 23.8 8.5 21 21 A S S S- 0 0 14 -2,-0.9 2,-0.3 203,-0.3 205,-0.2 -0.970 89.9 -67.7-170.0 174.2 -3.1 27.2 8.8 22 22 A E - 0 0 29 203,-0.3 376,-0.2 -2,-0.3 14,-0.1 -0.606 63.5-109.1 -73.9 133.2 -0.7 29.5 7.1 23 23 A V - 0 0 4 -2,-0.3 3,-0.1 12,-0.1 -1,-0.1 -0.283 9.6-131.8 -63.7 154.2 2.8 27.9 7.2 24 24 A Q S S- 0 0 22 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.865 81.1 -38.6 -64.8 -40.9 5.5 29.3 9.4 25 25 A S - 0 0 20 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.945 40.0-124.2-173.3 167.0 7.9 29.2 6.5 26 26 A L S S+ 0 0 8 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.288 80.2 106.7-107.5 1.9 8.9 27.2 3.4 27 27 A D > - 0 0 8 1,-0.1 3,-2.7 3,-0.1 4,-0.1 -0.734 69.4-142.5 -82.0 120.0 12.5 27.0 4.6 28 28 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.665 99.2 53.1 -53.3 -28.8 13.1 23.4 5.9 29 29 A H T 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.458 105.7 52.7 -88.3 0.4 15.3 24.7 8.7 30 30 A K S < S+ 0 0 79 -3,-2.7 2,-0.3 77,-0.2 -1,-0.2 0.137 95.3 84.8-117.2 18.2 12.7 27.2 10.1 31 31 A I + 0 0 4 -3,-0.4 78,-0.1 -4,-0.1 132,-0.0 -0.872 31.5 162.6-123.7 157.5 9.7 24.9 10.5 32 32 A E + 0 0 7 -2,-0.3 488,-2.7 488,-0.1 2,-0.2 0.405 51.4 89.6-145.6 -1.4 8.4 22.4 13.1 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.3 1,-0.1 488,-0.2 -0.553 75.9-113.2-107.4 174.3 4.7 21.8 12.3 34 34 A V H > S+ 0 0 5 486,-2.7 4,-2.6 2,-0.2 5,-0.2 0.928 115.6 50.2 -63.7 -46.3 2.5 19.4 10.3 35 35 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.938 112.5 48.7 -61.0 -37.3 1.2 22.1 7.9 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.941 113.1 46.4 -64.5 -47.1 4.8 23.1 7.3 37 37 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.811 103.8 63.1 -66.2 -35.4 5.9 19.6 6.7 38 38 A N H X S+ 0 0 2 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.906 112.3 35.9 -55.8 -46.7 3.0 18.8 4.4 39 39 A V H >X S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.3 3,-1.0 0.903 112.9 60.9 -73.3 -40.0 4.2 21.4 1.9 40 40 A S H >X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.3 3,-0.8 0.877 96.5 58.6 -58.0 -38.6 7.9 20.6 2.6 41 41 A R H 3< S+ 0 0 12 -4,-2.4 149,-0.4 1,-0.3 -1,-0.3 0.825 106.5 48.9 -64.2 -27.9 7.5 17.0 1.4 42 42 A D H << S+ 0 0 2 -3,-1.0 149,-2.3 -4,-0.5 -1,-0.3 0.737 121.7 33.9 -77.4 -26.7 6.4 18.1 -2.1 43 43 A L H << S+ 0 0 1 -4,-1.1 146,-2.7 -3,-0.8 145,-1.2 0.770 117.1 39.3 -99.8 -37.8 9.2 20.6 -2.4 44 44 A F < - 0 0 4 -4,-2.9 2,-0.5 144,-0.2 -1,-0.2 -0.987 62.7-160.4-123.4 129.9 12.4 19.3 -0.8 45 45 A E - 0 0 7 -2,-0.4 4,-0.1 -3,-0.1 115,-0.1 -0.943 7.8-163.9-117.3 124.6 13.6 15.7 -0.8 46 46 A G - 0 0 4 -2,-0.5 14,-3.1 2,-0.4 15,-0.3 0.057 46.6 -71.2 -85.5-162.7 16.0 14.3 1.7 47 47 A L S S+ 0 0 0 117,-0.4 12,-2.0 112,-0.3 14,-1.8 0.913 118.3 14.9 -61.1 -49.5 18.1 11.1 1.7 48 48 A L E -N 58 0D 1 111,-0.7 -2,-0.4 10,-0.2 2,-0.3 -0.856 68.5-164.4-121.1 165.6 15.1 8.9 2.2 49 49 A I E -N 57 0D 12 8,-2.5 8,-2.7 -2,-0.3 2,-0.4 -0.868 30.8-100.1-136.3 166.0 11.4 9.4 1.9 50 50 A S E -N 56 0D 4 -2,-0.3 5,-0.1 6,-0.2 2,-0.0 -0.776 33.6-134.7 -84.1 143.6 8.4 7.5 3.1 51 51 A D > - 0 0 51 4,-2.2 3,-1.8 -2,-0.4 455,-0.1 -0.202 45.2 -77.7 -79.1-166.4 6.7 5.2 0.6 52 52 A V T 3 S+ 0 0 56 1,-0.3 447,-0.4 2,-0.1 450,-0.3 0.690 134.2 45.1 -70.0 -14.1 2.8 5.2 0.3 53 53 A E T 3 S- 0 0 86 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.284 123.7 -99.3-107.2 1.6 2.5 3.0 3.5 54 54 A G S < S+ 0 0 18 -3,-1.8 -2,-0.1 1,-0.3 3,-0.0 0.467 72.0 145.5 99.3 -3.6 5.0 5.0 5.5 55 55 A H - 0 0 96 -5,-0.1 -4,-2.2 1,-0.1 -1,-0.3 -0.505 59.4-107.5 -72.8 136.3 8.1 2.7 5.1 56 56 A P E +N 50 0D 48 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.366 56.0 168.0 -59.8 129.8 11.5 4.5 5.0 57 57 A S E -N 49 0D 23 -8,-2.7 -8,-2.5 -3,-0.0 4,-0.1 -0.926 39.7 -59.7-145.4 165.6 12.5 4.2 1.3 58 58 A P E +N 48 0D 54 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.258 53.2 159.0 -55.1 134.5 15.0 5.7 -1.2 59 59 A G S S- 0 0 0 -12,-2.0 -12,-0.2 2,-0.7 -11,-0.2 0.279 79.5 -23.5-118.2-113.0 14.9 9.4 -1.7 60 60 A V S S+ 0 0 0 -14,-3.1 17,-2.7 -12,-0.1 2,-0.5 0.883 134.1 71.1 -70.3 -33.9 18.0 11.2 -3.1 61 61 A A E -O 76 0E 0 -14,-1.8 -2,-0.7 -15,-0.3 15,-0.3 -0.694 63.9-172.3 -78.1 126.9 20.0 8.3 -1.7 62 62 A E E S+ 0 0 81 13,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.731 72.5 3.8 -89.1 -23.3 19.3 5.1 -3.8 63 63 A K E -O 75 0E 118 12,-1.2 12,-3.1 2,-0.0 2,-0.3 -0.978 65.4-175.2-157.4 158.1 21.2 2.8 -1.4 64 64 A W E -O 74 0E 65 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.980 6.2-163.5-155.6 154.4 23.0 3.0 1.9 65 65 A E E -O 73 0E 96 8,-1.9 8,-2.6 -2,-0.3 2,-0.3 -0.914 9.0-149.2-133.5 164.0 25.1 1.0 4.3 66 66 A N E -O 72 0E 65 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.993 7.0-147.1-135.6 152.3 26.1 1.3 7.9 67 67 A K E >> S-O 71 0E 127 4,-2.4 3,-2.5 -2,-0.3 4,-1.9 -0.975 87.7 -25.3-118.4 113.4 29.2 0.2 9.9 68 68 A D T 34 S- 0 0 117 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.677 108.5 -77.5 59.2 23.7 28.3 -0.7 13.5 69 69 A F T 34 S+ 0 0 89 2,-0.2 83,-2.3 82,-0.2 -1,-0.3 0.622 127.2 86.9 62.0 17.3 25.3 1.6 13.2 70 70 A K T <4 S+ 0 0 84 -3,-2.5 78,-3.2 1,-0.3 2,-0.5 0.697 81.0 46.5-117.4 -31.6 27.8 4.5 13.7 71 71 A V E < -OP 67 147E 22 -4,-1.9 -4,-2.4 76,-0.2 2,-0.5 -0.978 69.4-171.6-120.9 117.6 29.0 5.3 10.2 72 72 A W E -OP 66 146E 5 74,-2.7 74,-3.0 -2,-0.5 2,-0.5 -0.943 4.6-162.5-112.9 128.4 26.3 5.6 7.6 73 73 A T E -OP 65 145E 26 -8,-2.6 -8,-1.9 -2,-0.5 2,-0.5 -0.948 2.9-162.4-118.6 119.5 27.1 5.9 3.9 74 74 A F E -OP 64 144E 0 70,-3.1 70,-2.3 -2,-0.5 2,-0.8 -0.877 7.9-152.3-106.2 125.3 24.5 7.2 1.5 75 75 A H E -OP 63 143E 56 -12,-3.1 -13,-2.3 -2,-0.5 -12,-1.2 -0.858 19.3-148.1 -95.2 107.9 24.9 6.6 -2.3 76 76 A L E -O 61 0E 4 66,-2.8 -15,-0.3 -2,-0.8 -16,-0.1 -0.583 21.2-106.6 -82.2 139.2 23.0 9.4 -4.0 77 77 A R > - 0 0 22 -17,-2.7 3,-1.5 -2,-0.3 11,-0.2 -0.281 23.7-130.5 -61.3 140.3 21.4 8.8 -7.4 78 78 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 9,-0.1 10,-0.1 0.800 102.6 51.6 -67.6 -24.2 23.3 10.3 -10.3 79 79 A N T 3 S+ 0 0 81 8,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.210 73.1 128.2 -98.2 16.7 20.2 12.0 -11.8 80 80 A A < + 0 0 2 -3,-1.5 8,-2.5 8,-0.2 2,-0.3 -0.549 39.9 176.2 -73.4 127.0 18.9 13.7 -8.7 81 81 A K B -R 87 0F 85 -2,-0.3 130,-0.3 6,-0.3 2,-0.1 -0.990 32.8-122.3-135.8 158.4 18.5 17.4 -9.7 82 82 A W > - 0 0 6 4,-3.2 3,-1.8 -2,-0.3 106,-0.2 -0.296 44.9 -99.6 -84.1 168.5 17.2 20.8 -8.4 83 83 A S T 3 S+ 0 0 25 104,-1.7 105,-0.1 1,-0.3 126,-0.1 0.679 122.3 62.0 -73.6 -8.2 14.4 22.6 -10.3 84 84 A D T 3 S- 0 0 84 103,-0.1 -1,-0.3 2,-0.1 102,-0.0 0.241 122.6-104.9 -92.4 8.9 16.9 24.8 -12.1 85 85 A G S < S+ 0 0 29 -3,-1.8 -2,-0.1 1,-0.3 0, 0.0 0.298 79.4 130.3 85.4 -9.5 18.4 21.7 -13.7 86 86 A T - 0 0 63 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.435 63.5 -97.0 -80.8 152.7 21.6 21.5 -11.5 87 87 A P B -R 81 0F 75 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.345 23.3-130.4 -68.0 144.6 22.6 18.3 -9.7 88 88 A V - 0 0 1 -8,-2.5 2,-0.3 -11,-0.2 -8,-0.2 -0.837 41.3-179.0 -87.5 127.4 21.8 17.5 -6.1 89 89 A T >> - 0 0 19 -2,-0.5 4,-1.1 1,-0.1 3,-0.8 -0.815 46.3-104.0-122.4 174.4 25.1 16.5 -4.5 90 90 A A H 3> S+ 0 0 0 51,-2.3 4,-2.2 -2,-0.3 5,-0.1 0.796 119.1 65.3 -65.3 -27.3 26.4 15.3 -1.2 91 91 A H H 3> S+ 0 0 89 1,-0.2 4,-2.3 50,-0.2 -1,-0.2 0.844 96.3 56.4 -63.1 -33.6 27.9 18.8 -0.9 92 92 A D H <> S+ 0 0 29 -3,-0.8 4,-2.4 1,-0.2 75,-0.5 0.908 108.4 46.7 -62.4 -40.8 24.3 20.1 -0.7 93 93 A F H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 5,-0.3 0.869 110.4 52.9 -67.9 -36.8 23.6 17.8 2.2 94 94 A V H X S+ 0 0 22 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.963 113.4 42.7 -62.6 -48.4 26.9 18.8 4.0 95 95 A Y H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.944 115.8 50.4 -60.0 -48.6 26.0 22.5 3.7 96 96 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 110.5 45.4 -63.6 -46.4 22.4 21.9 4.8 97 97 A W H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.872 112.9 52.9 -68.1 -32.2 23.0 19.8 7.8 98 98 A Q H X S+ 0 0 36 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.901 108.8 49.6 -63.4 -42.0 25.7 22.3 8.9 99 99 A R H < S+ 0 0 35 -4,-2.3 6,-0.3 1,-0.2 8,-0.2 0.891 109.5 51.7 -65.2 -38.9 23.1 25.2 8.5 100 100 A L H < S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 -1,-0.2 0.905 113.2 44.9 -60.2 -43.5 20.6 23.2 10.6 101 101 A A H < S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.788 89.5 102.6 -70.5 -28.3 23.2 22.7 13.4 102 102 A D >X - 0 0 50 -4,-1.7 3,-2.1 1,-0.2 4,-0.6 -0.411 68.3-143.2 -66.9 124.7 24.4 26.3 13.4 103 103 A P G >4 S+ 0 0 62 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.813 97.8 67.4 -55.0 -32.0 23.0 28.3 16.3 104 104 A N G 34 S+ 0 0 147 1,-0.3 -2,-0.1 2,-0.1 -5,-0.1 0.793 95.0 56.5 -62.8 -23.0 22.8 31.4 14.0 105 105 A T G <4 S- 0 0 12 -3,-2.1 -1,-0.3 -6,-0.3 -5,-0.1 0.756 91.4-156.4 -77.9 -23.7 20.0 29.6 12.0 106 106 A A << - 0 0 80 -3,-1.0 -2,-0.1 -4,-0.6 -6,-0.1 0.849 19.2-175.7 51.0 44.1 18.1 29.2 15.3 107 107 A S > - 0 0 8 -5,-0.4 3,-1.7 -7,-0.3 4,-0.3 -0.464 32.4-140.2 -70.1 141.3 16.2 26.2 13.9 108 108 A P T 3 S+ 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.711 108.0 51.5 -67.8 -17.5 13.4 24.8 16.1 109 109 A Y T > + 0 0 1 -80,-0.4 3,-1.8 1,-0.2 4,-0.4 0.175 69.2 114.1-106.9 19.9 14.8 21.4 14.8 110 110 A A T X S+ 0 0 14 -3,-1.7 3,-1.5 1,-0.3 4,-0.4 0.926 75.7 60.4 -51.6 -39.2 18.5 22.0 15.6 111 111 A S T >> S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.3 3,-0.7 0.653 79.5 84.3 -68.1 -5.8 18.2 19.2 18.2 112 112 A Y H <> S+ 0 0 3 -3,-1.8 4,-1.7 1,-0.3 -1,-0.3 0.888 90.0 53.3 -62.0 -33.9 17.1 16.7 15.4 113 113 A L H <4>S+ 0 0 2 -3,-1.5 5,-2.2 -4,-0.4 4,-0.3 0.803 107.7 49.4 -73.5 -23.2 20.9 16.3 14.9 114 114 A Q H X45S+ 0 0 17 -3,-0.7 3,-0.7 -4,-0.4 -2,-0.2 0.864 105.3 58.0 -74.3 -39.5 21.3 15.5 18.6 115 115 A Y H 3<5S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.883 113.3 39.3 -59.0 -36.5 18.4 12.9 18.3 116 116 A G T 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.537 109.6-130.6 -89.4 -5.5 20.5 11.1 15.6 117 117 A H T < 5 - 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0 0 12 -3,-2.3 3,-1.9 1,-0.2 -5,-0.0 -0.428 53.8-143.1 -70.9 137.0 16.0 20.0 23.3 435 435 A S T 3 S+ 0 0 31 1,-0.3 -1,-0.2 -2,-0.2 -6,-0.1 0.677 104.1 55.0 -65.2 -20.1 15.2 22.8 20.8 436 436 A N T 3 S+ 0 0 6 -8,-0.2 2,-1.9 1,-0.1 -1,-0.3 0.395 75.3 114.9 -94.6 7.0 11.6 21.2 20.6 437 437 A N X + 0 0 12 -3,-1.9 3,-0.7 1,-0.2 -7,-0.1 -0.500 23.9 154.1 -84.2 85.4 11.1 21.5 24.4 438 438 A T T 3 + 0 0 5 -2,-1.9 -1,-0.2 1,-0.2 -8,-0.1 0.504 68.2 69.6 -83.5 -6.9 8.2 24.0 24.6 439 439 A A T 3 S- 0 0 1 -10,-0.3 -160,-2.9 -3,-0.2 -1,-0.2 0.633 97.3-140.9 -77.5 -19.9 7.2 22.5 28.0 440 440 A H < + 0 0 28 -3,-0.7 2,-0.4 1,-0.2 -2,-0.1 0.896 43.8 161.5 57.3 42.8 10.4 24.0 29.3 441 441 A Y - 0 0 7 -10,-0.1 2,-0.4 -162,-0.1 -1,-0.2 -0.785 20.1-176.2 -93.9 131.8 10.8 20.8 31.4 442 442 A K + 0 0 118 -2,-0.4 3,-0.1 -3,-0.1 -11,-0.1 -0.914 11.8 160.1-136.9 103.6 14.3 20.1 32.8 443 443 A S > - 0 0 10 -2,-0.4 4,-3.0 -13,-0.3 5,-0.3 -0.925 26.7-163.3-129.2 112.8 14.8 16.8 34.6 444 444 A P H > S+ 0 0 109 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.931 97.1 54.5 -58.3 -36.7 18.3 15.4 35.1 445 445 A A H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 27,-0.1 0.922 110.1 45.2 -64.9 -42.2 16.6 12.0 36.0 446 446 A F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.944 112.1 52.0 -65.8 -44.5 14.6 12.0 32.7 447 447 A D H X S+ 0 0 39 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.919 108.5 51.6 -58.7 -41.6 17.7 13.0 30.7 448 448 A K H X S+ 0 0 113 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.918 105.1 54.9 -64.4 -42.0 19.7 10.2 32.2 449 449 A L H X S+ 0 0 38 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.918 112.1 43.5 -57.7 -45.3 17.1 7.5 31.3 450 450 A I H >< S+ 0 0 10 -4,-2.0 3,-1.2 1,-0.2 4,-0.4 0.930 109.7 55.6 -70.0 -39.6 17.1 8.5 27.6 451 451 A A H >< S+ 0 0 45 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.914 104.6 55.9 -54.5 -39.5 20.9 8.8 27.5 452 452 A D H >< S+ 0 0 30 -4,-2.1 3,-1.5 1,-0.3 4,-0.5 0.722 87.8 78.9 -68.0 -21.1 21.1 5.2 28.8 453 453 A T T << S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.7 5,-0.2 0.674 99.7 39.0 -61.5 -25.9 18.9 3.9 25.9 454 454 A L T < S+ 0 0 12 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.280 103.4 71.3-107.8 8.6 21.8 3.9 23.4 455 455 A K S < S+ 0 0 122 -3,-1.5 2,-0.3 -4,-0.1 -2,-0.2 0.451 95.2 61.8 -94.5 -9.3 24.2 2.7 26.1 456 456 A V S S- 0 0 27 -4,-0.5 0, 0.0 -3,-0.1 0, 0.0 -0.804 71.9-149.8-110.0 157.7 22.5 -0.8 25.9 457 457 A A + 0 0 106 -2,-0.3 2,-0.4 5,-0.0 -3,-0.1 -0.169 68.7 95.1-121.9 39.0 22.4 -2.9 22.7 458 458 A D > - 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