==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 14-JUL-99 1QKA . COMPND 2 MOLECULE: PERIPLASMIC OLIGOPEPTIDE-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) . 19736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 67.9 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 . 66 12.7 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 14 0, 0.0 2,-0.7 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 147.6 2.2 7.7 -8.0 2 2 A D - 0 0 126 509,-0.4 511,-0.1 495,-0.0 495,-0.1 -0.906 360.0-158.5-113.1 94.9 1.3 4.1 -8.9 3 3 A V - 0 0 52 -2,-0.7 3,-0.1 1,-0.1 6,-0.0 -0.675 22.1-118.7 -75.3 121.3 -2.1 4.3 -10.7 4 4 A P > - 0 0 65 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.205 35.6 -94.3 -57.7 143.9 -3.9 0.9 -10.6 5 5 A A T 3 S+ 0 0 107 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.253 111.8 25.3 -56.3 141.6 -4.6 -0.8 -13.9 6 6 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.152 86.3 129.3 90.5 -24.7 -8.1 0.1 -15.2 7 7 A V < - 0 0 45 -3,-2.0 2,-0.6 1,-0.1 -1,-0.3 -0.533 53.5-140.2 -66.5 133.2 -8.4 3.4 -13.3 8 8 A Q - 0 0 131 -2,-0.2 508,-3.0 508,-0.1 2,-0.2 -0.846 17.7-140.8 -92.9 122.5 -9.5 6.2 -15.6 9 9 A L B -A 515 0A 64 -2,-0.6 506,-0.3 506,-0.3 4,-0.1 -0.514 17.1-111.2 -82.2 148.6 -7.6 9.4 -14.8 10 10 A A - 0 0 18 504,-3.1 504,-0.2 -2,-0.2 506,-0.1 -0.357 22.8-124.1 -69.3 153.1 -9.2 12.8 -14.9 11 11 A D S S+ 0 0 162 1,-0.2 2,-0.7 504,-0.1 -1,-0.1 0.908 101.7 53.8 -64.7 -42.0 -8.1 15.1 -17.7 12 12 A K S S- 0 0 159 2,-0.1 2,-1.2 206,-0.0 -1,-0.2 -0.871 71.1-164.3-100.3 114.5 -7.1 17.8 -15.2 13 13 A Q + 0 0 12 -2,-0.7 206,-2.7 204,-0.1 207,-1.0 -0.698 39.0 132.5 -99.5 78.5 -4.7 16.6 -12.5 14 14 A T E -b 220 0B 55 -2,-1.2 2,-0.4 204,-0.2 207,-0.2 -0.939 34.3-163.2-129.0 151.4 -5.0 19.3 -9.9 15 15 A L E -b 221 0B 1 205,-2.0 207,-2.5 -2,-0.3 2,-0.5 -0.996 9.2-160.5-137.2 144.2 -5.5 19.1 -6.2 16 16 A V E -b 222 0B 28 -2,-0.4 226,-1.9 205,-0.2 227,-1.6 -0.996 15.9-179.6-125.3 121.3 -6.6 21.6 -3.5 17 17 A R E -bc 223 243B 1 205,-3.1 207,-2.2 -2,-0.5 2,-0.3 -0.971 25.7-131.7-119.3 140.0 -5.7 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 -0.686 18.2-168.2 -82.4 149.0 -6.5 22.8 3.2 19 19 A N - 0 0 2 205,-2.6 2,-1.2 -2,-0.3 -1,-0.1 0.149 32.7-120.5-130.6 20.7 -3.4 23.1 5.4 20 20 A G S S+ 0 0 9 206,-0.4 2,-0.3 204,-0.1 377,-0.1 -0.029 77.3 1.2 75.7 -40.3 -4.8 24.5 8.6 21 21 A S S S- 0 0 15 -2,-1.2 2,-0.2 203,-0.3 205,-0.2 -0.985 88.8 -68.2-164.5 172.8 -2.9 27.8 8.8 22 22 A E - 0 0 35 203,-0.3 376,-0.3 -2,-0.3 14,-0.1 -0.548 64.4-110.2 -70.3 137.2 -0.3 30.1 7.2 23 23 A V - 0 0 7 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.358 8.7-130.0 -71.5 154.0 3.0 28.3 7.3 24 24 A Q S S- 0 0 21 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.884 81.4 -40.2 -61.9 -39.4 5.8 29.5 9.6 25 25 A S - 0 0 21 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.960 39.1-123.2-175.0 166.7 8.2 29.4 6.6 26 26 A L S S+ 0 0 6 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.336 81.2 105.3-107.0 2.2 9.2 27.3 3.5 27 27 A D > - 0 0 7 1,-0.1 3,-2.7 3,-0.1 4,-0.2 -0.691 69.4-143.0 -82.8 115.8 12.8 27.0 4.8 28 28 A P G > S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.740 98.3 53.3 -53.3 -24.4 13.3 23.5 6.1 29 29 A H G 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.469 106.8 51.7 -91.2 -1.6 15.6 24.7 8.9 30 30 A K G < S+ 0 0 78 -3,-2.7 2,-0.3 77,-0.2 -1,-0.2 0.134 93.5 89.5-114.3 9.7 13.0 27.2 10.3 31 31 A I < + 0 0 5 -3,-0.5 78,-0.1 -4,-0.2 132,-0.0 -0.850 32.8 165.2-114.3 156.5 9.9 25.0 10.6 32 32 A E + 0 0 0 -2,-0.3 488,-2.9 76,-0.1 2,-0.2 0.439 52.0 78.6-141.4 -5.0 8.5 22.9 13.3 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.6 1,-0.1 488,-0.2 -0.492 76.6-109.3-116.2 178.6 4.9 22.0 12.5 34 34 A V H > S+ 0 0 6 486,-2.9 4,-2.7 2,-0.2 5,-0.2 0.944 115.2 51.4 -64.6 -46.8 2.5 19.8 10.4 35 35 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.935 114.7 46.4 -57.7 -39.8 1.3 22.6 8.1 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.930 113.1 47.2 -69.2 -42.5 4.9 23.4 7.4 37 37 A S H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.805 103.6 63.8 -69.3 -31.2 5.9 19.8 6.9 38 38 A N H < S+ 0 0 5 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.900 112.1 34.6 -58.0 -46.0 3.0 19.2 4.6 39 39 A V H >X S+ 0 0 0 -4,-1.3 3,-1.3 -3,-0.3 4,-1.3 0.885 112.9 61.7 -75.6 -42.2 4.3 21.7 2.0 40 40 A S H >X S+ 0 0 6 -4,-2.5 4,-3.1 1,-0.3 3,-0.5 0.892 96.3 58.9 -53.8 -40.0 8.0 20.8 2.7 41 41 A R H 3< S+ 0 0 11 -4,-2.3 149,-0.4 1,-0.2 -1,-0.3 0.797 106.1 48.8 -62.1 -31.0 7.6 17.2 1.6 42 42 A D H <4 S+ 0 0 2 -3,-1.3 149,-2.3 -4,-0.4 -1,-0.2 0.757 122.2 33.8 -76.7 -24.7 6.4 18.3 -1.9 43 43 A L H << S+ 0 0 1 -4,-1.3 146,-2.7 -3,-0.5 145,-1.2 0.779 116.5 40.7-101.2 -38.4 9.3 20.7 -2.3 44 44 A F < - 0 0 4 -4,-3.1 2,-0.5 144,-0.2 -1,-0.2 -0.972 61.6-162.9-122.4 130.8 12.4 19.3 -0.5 45 45 A E - 0 0 7 -2,-0.5 4,-0.1 -3,-0.1 115,-0.1 -0.919 7.4-165.5-119.7 124.6 13.6 15.7 -0.6 46 46 A G - 0 0 4 -2,-0.5 14,-2.8 2,-0.4 15,-0.3 0.080 47.2 -68.8 -87.4-160.3 16.1 14.2 1.9 47 47 A L S S+ 0 0 0 117,-0.4 12,-2.0 112,-0.3 14,-1.7 0.905 118.3 15.0 -61.7 -48.0 18.1 11.0 1.9 48 48 A L E -N 58 0D 1 111,-0.7 -2,-0.4 10,-0.2 2,-0.3 -0.885 68.5-163.4-122.2 160.9 15.0 8.8 2.4 49 49 A I E -N 57 0D 9 8,-2.4 8,-2.6 -2,-0.3 2,-0.3 -0.868 30.5-100.9-134.3 166.0 11.3 9.5 2.0 50 50 A S E -N 56 0D 3 -2,-0.3 5,-0.1 6,-0.2 2,-0.1 -0.727 35.0-132.7 -83.1 143.0 8.2 7.5 3.3 51 51 A D > - 0 0 55 4,-2.1 3,-2.0 -2,-0.3 455,-0.1 -0.249 45.3 -78.3 -78.1-173.4 6.5 5.3 0.7 52 52 A V T 3 S+ 0 0 58 1,-0.3 447,-0.4 2,-0.1 448,-0.3 0.646 135.7 46.1 -61.8 -16.7 2.7 5.5 0.4 53 53 A E T 3 S- 0 0 83 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.346 123.2-101.8-104.0 3.1 2.2 3.4 3.6 54 54 A G S < S+ 0 0 16 -3,-2.0 -2,-0.1 1,-0.3 3,-0.0 0.479 71.4 143.1 97.5 -2.2 4.8 5.3 5.6 55 55 A H - 0 0 99 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.571 61.3-104.8 -76.6 141.5 7.8 2.9 5.4 56 56 A P E +N 50 0D 47 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.353 57.4 164.5 -58.8 132.2 11.3 4.6 5.2 57 57 A S E -N 49 0D 22 -8,-2.6 -8,-2.4 -3,-0.0 4,-0.1 -0.917 41.4 -55.1-148.7 172.0 12.3 4.2 1.5 58 58 A P E +N 48 0D 55 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.263 53.6 158.3 -59.0 133.3 14.8 5.6 -1.0 59 59 A G S S- 0 0 0 -12,-2.0 -12,-0.2 2,-0.9 -11,-0.2 0.217 79.7 -24.8-118.2-117.8 14.8 9.4 -1.5 60 60 A V S S+ 0 0 0 -14,-2.8 17,-3.0 -12,-0.1 2,-0.5 0.902 133.7 72.9 -63.9 -34.5 17.9 11.1 -2.9 61 61 A A E -O 76 0E 0 -14,-1.7 -2,-0.9 -15,-0.3 15,-0.3 -0.655 63.3-173.8 -80.2 126.2 19.8 8.1 -1.5 62 62 A E E S+ 0 0 87 13,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.734 72.1 3.7 -92.5 -24.4 19.1 5.0 -3.6 63 63 A K E -O 75 0E 114 12,-1.3 12,-3.3 2,-0.0 2,-0.3 -0.987 64.8-176.2-156.3 156.7 21.0 2.7 -1.2 64 64 A W E -O 74 0E 67 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.988 5.9-165.2-153.9 157.1 22.8 2.8 2.1 65 65 A E E -O 73 0E 90 8,-2.0 8,-2.6 -2,-0.3 2,-0.3 -0.926 9.9-147.3-136.5 165.4 24.8 0.7 4.5 66 66 A N E -O 72 0E 65 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.986 7.2-146.6-137.5 146.5 25.9 1.0 8.2 67 67 A K E >> S-O 71 0E 124 4,-2.3 3,-2.6 -2,-0.3 4,-1.9 -0.970 88.0 -26.7-108.6 113.1 29.0 -0.1 10.1 68 68 A D T 34 S- 0 0 112 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.670 108.1 -76.0 58.7 21.4 28.0 -1.0 13.7 69 69 A F T 34 S+ 0 0 89 2,-0.2 83,-2.1 82,-0.2 -1,-0.3 0.659 127.2 87.1 63.1 18.3 25.0 1.4 13.5 70 70 A K T <4 S+ 0 0 80 -3,-2.6 78,-3.1 1,-0.3 2,-0.6 0.727 80.3 45.7-118.0 -34.4 27.6 4.2 13.9 71 71 A V E < -OP 67 147E 18 -4,-1.9 -4,-2.3 76,-0.2 2,-0.5 -0.968 69.9-167.8-117.2 115.7 28.9 5.1 10.4 72 72 A W E -OP 66 146E 6 74,-3.0 74,-3.3 -2,-0.6 2,-0.5 -0.907 2.3-163.4-106.6 126.5 26.1 5.4 7.8 73 73 A T E -OP 65 145E 27 -8,-2.6 -8,-2.0 -2,-0.5 2,-0.5 -0.942 3.1-165.1-116.5 117.7 27.0 5.6 4.1 74 74 A F E -OP 64 144E 0 70,-3.2 70,-2.4 -2,-0.5 2,-0.8 -0.912 9.3-152.2-107.6 122.1 24.4 6.9 1.7 75 75 A H E -OP 63 143E 51 -12,-3.3 -13,-2.7 -2,-0.5 -12,-1.3 -0.860 19.8-146.7 -94.4 108.6 24.8 6.3 -2.1 76 76 A L E -O 61 0E 4 66,-2.5 -15,-0.3 -2,-0.8 -16,-0.1 -0.557 20.0-107.0 -81.7 137.6 23.0 9.2 -3.8 77 77 A R > - 0 0 21 -17,-3.0 3,-1.4 -2,-0.3 11,-0.2 -0.237 22.7-131.1 -66.0 139.6 21.3 8.6 -7.2 78 78 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 9,-0.1 10,-0.1 0.815 102.0 51.1 -66.6 -22.4 23.1 10.1 -10.1 79 79 A N T 3 S+ 0 0 83 8,-0.1 2,-0.3 -19,-0.1 -1,-0.3 0.237 72.4 127.5-101.4 16.4 20.1 11.8 -11.6 80 80 A A < + 0 0 3 -3,-1.4 8,-2.1 8,-0.2 2,-0.3 -0.574 40.0 175.0 -70.2 126.9 18.8 13.6 -8.5 81 81 A K B -R 87 0F 82 128,-0.3 130,-0.2 6,-0.3 2,-0.1 -0.979 32.0-122.8-136.1 154.2 18.5 17.2 -9.5 82 82 A W > - 0 0 5 4,-3.2 3,-2.1 -2,-0.3 106,-0.2 -0.432 45.2 -96.8 -80.1 169.4 17.3 20.6 -8.2 83 83 A S T 3 S+ 0 0 25 104,-2.4 105,-0.1 1,-0.3 126,-0.1 0.666 123.7 59.7 -66.8 -15.8 14.5 22.5 -10.1 84 84 A D T 3 S- 0 0 88 103,-0.2 -1,-0.3 2,-0.1 104,-0.1 0.344 121.8-105.1 -90.8 4.6 17.1 24.7 -11.9 85 85 A G S < S+ 0 0 28 -3,-2.1 -2,-0.1 1,-0.3 0, 0.0 0.310 78.3 131.4 93.2 -10.5 18.6 21.5 -13.4 86 86 A T - 0 0 62 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.473 63.3 -99.2 -77.3 148.1 21.8 21.3 -11.3 87 87 A P B -R 81 0F 75 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.362 23.0-128.8 -66.1 143.8 22.6 18.0 -9.6 88 88 A V - 0 0 1 -8,-2.1 2,-0.3 -11,-0.2 -8,-0.2 -0.823 41.3-179.6 -85.2 126.9 21.8 17.3 -6.0 89 89 A T >> - 0 0 22 -2,-0.5 4,-1.1 1,-0.0 3,-0.9 -0.827 45.8-103.2-124.3 175.8 25.1 16.2 -4.4 90 90 A A H 3> S+ 0 0 0 51,-2.5 4,-2.1 -2,-0.3 51,-0.1 0.808 118.8 65.4 -67.7 -24.7 26.4 15.0 -1.1 91 91 A H H 3> S+ 0 0 90 1,-0.2 4,-2.6 50,-0.2 -1,-0.3 0.855 95.8 57.1 -64.9 -33.6 28.0 18.5 -0.7 92 92 A D H <> S+ 0 0 28 -3,-0.9 4,-2.3 1,-0.2 75,-0.5 0.900 108.5 46.5 -60.1 -41.3 24.4 19.9 -0.6 93 93 A F H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.864 110.0 53.2 -67.8 -42.1 23.7 17.6 2.4 94 94 A V H X S+ 0 0 22 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.963 113.7 42.2 -57.9 -51.2 27.0 18.5 4.1 95 95 A Y H X S+ 0 0 35 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.900 115.5 50.7 -59.5 -46.2 26.1 22.2 3.9 96 96 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.956 111.0 44.9 -62.8 -48.2 22.5 21.7 4.9 97 97 A W H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.840 113.6 52.3 -66.4 -29.7 23.1 19.6 8.0 98 98 A Q H X S+ 0 0 36 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.927 109.1 49.4 -68.3 -43.4 25.9 22.1 9.0 99 99 A R H < S+ 0 0 35 -4,-2.5 6,-0.3 1,-0.2 -2,-0.2 0.899 109.4 52.4 -61.5 -39.3 23.4 25.0 8.6 100 100 A L H < S+ 0 0 0 -4,-2.5 7,-0.4 1,-0.2 -1,-0.2 0.905 111.9 46.4 -62.5 -39.1 20.8 23.1 10.7 101 101 A A H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.806 88.9 102.7 -69.8 -31.2 23.4 22.6 13.5 102 102 A D >X - 0 0 51 -4,-1.8 3,-2.1 1,-0.2 4,-0.5 -0.408 67.4-144.2 -67.4 120.4 24.7 26.2 13.5 103 103 A P G >4 S+ 0 0 58 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.770 97.6 67.5 -55.9 -29.1 23.3 28.2 16.4 104 104 A N G 34 S+ 0 0 146 1,-0.3 -2,-0.1 2,-0.1 -5,-0.1 0.784 95.3 56.0 -66.1 -24.0 23.1 31.3 14.1 105 105 A T G <4 S- 0 0 11 -3,-2.1 -1,-0.3 -6,-0.3 -5,-0.1 0.700 92.1-155.5 -73.8 -22.8 20.4 29.5 12.1 106 106 A A << - 0 0 80 -3,-1.1 -2,-0.1 -4,-0.5 -6,-0.1 0.869 19.1-174.2 48.5 45.0 18.4 29.1 15.4 107 107 A S > - 0 0 7 -5,-0.4 3,-1.6 -7,-0.4 4,-0.2 -0.480 31.5-140.8 -69.5 138.4 16.5 26.2 14.0 108 108 A P T 3 S+ 0 0 23 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.745 108.2 49.6 -63.9 -20.6 13.7 24.8 16.2 109 109 A Y T > S+ 0 0 1 -80,-0.4 3,-2.2 1,-0.2 4,-0.5 0.197 70.2 115.4-107.5 20.6 15.0 21.4 15.0 110 110 A A T X S+ 0 0 13 -3,-1.6 3,-1.5 1,-0.3 4,-0.4 0.914 75.9 58.7 -52.6 -38.3 18.7 22.0 15.7 111 111 A S T 3> S+ 0 0 1 -3,-0.3 4,-2.2 1,-0.3 3,-0.5 0.584 79.4 85.7 -70.9 -8.3 18.4 19.1 18.3 112 112 A Y H <> S+ 0 0 3 -3,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.888 89.0 53.7 -58.5 -32.8 17.2 16.7 15.6 113 113 A L H <>>S+ 0 0 2 -3,-1.5 5,-2.1 -4,-0.5 4,-0.5 0.808 106.5 51.2 -74.6 -22.6 21.0 16.1 15.0 114 114 A Q H 45S+ 0 0 17 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.841 105.2 56.6 -74.2 -35.4 21.4 15.4 18.8 115 115 A Y H <5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 112.9 40.3 -63.5 -33.8 18.5 12.8 18.5 116 116 A G H <5S- 0 0 0 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.546 109.5-130.7 -88.5 -8.7 20.5 11.1 15.8 117 117 A H T <5 - 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