==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-09 2WK8 . COMPND 2 MOLECULE: CAI-1 AUTOINDUCER SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR N.JAHAN,J.A.POTTER,M.A.SHEIKH,C.H.BOTTING,S.L.SHIRRAN, . 746 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 56 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 3 0 0 1 2 3 4 2 2 4 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 0 4 0 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 . 3 0 2 0 5 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 . 2 2 0 0 0 2 0 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 4 A P 0 0 73 0, 0.0 2,-0.4 0, 0.0 585,-0.1 0.000 360.0 360.0 360.0-163.8 64.1 37.1 26.4 2 5 A Q - 0 0 82 584,-0.1 586,-0.1 607,-0.0 3,-0.1 -0.961 360.0-133.2-134.2 115.7 61.5 35.0 24.5 3 6 A L - 0 0 19 -2,-0.4 555,-0.1 1,-0.1 5,-0.1 -0.437 29.3-108.3 -69.5 133.1 59.6 36.4 21.6 4 7 A P >> - 0 0 13 0, 0.0 4,-2.4 0, 0.0 3,-2.1 -0.208 30.3-112.3 -51.6 148.1 55.8 35.9 21.5 5 8 A D H 3> S+ 0 0 123 1,-0.3 4,-1.9 2,-0.2 5,-0.4 0.845 115.1 68.9 -53.3 -36.5 54.7 33.3 18.9 6 9 A F H 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.2 478,-0.1 0.504 114.3 27.3 -66.7 -2.8 53.0 36.1 17.0 7 10 A I H <> S+ 0 0 0 -3,-2.1 4,-2.6 3,-0.1 5,-0.2 0.646 113.8 57.7-119.5 -45.9 56.5 37.5 16.2 8 11 A Q H X S+ 0 0 57 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.912 108.4 51.8 -56.4 -40.5 58.9 34.5 16.2 9 12 A N H X S+ 0 0 89 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.898 107.9 49.9 -65.2 -42.3 56.8 32.9 13.6 10 13 A K H > S+ 0 0 44 -5,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.903 114.9 45.5 -59.3 -43.5 56.8 36.0 11.3 11 14 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.954 114.6 46.7 -66.2 -50.4 60.6 36.1 11.7 12 15 A D H X S+ 0 0 75 -4,-3.4 4,-2.1 -5,-0.2 -2,-0.2 0.911 114.3 47.8 -55.7 -47.0 61.1 32.4 11.1 13 16 A H H X S+ 0 0 112 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.901 113.0 48.7 -64.3 -43.0 58.7 32.4 8.1 14 17 A Y H X>S+ 0 0 21 -4,-2.1 4,-1.3 -5,-0.2 5,-0.5 0.933 109.8 50.3 -62.7 -48.4 60.4 35.5 6.6 15 18 A I H X5S+ 0 0 39 -4,-2.7 4,-1.8 1,-0.2 3,-0.4 0.923 114.4 44.9 -59.0 -43.4 63.9 34.1 7.0 16 19 A E H <5S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.895 119.0 41.9 -67.9 -38.0 63.0 30.8 5.4 17 20 A N H <5S+ 0 0 80 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.475 127.4 26.2 -90.3 -3.5 61.1 32.5 2.5 18 21 A Y H <5 0 0 67 -4,-1.3 7,-0.6 -3,-0.4 -3,-0.2 0.610 360.0 360.0-131.1 -29.6 63.4 35.4 1.7 19 22 A F << 0 0 60 -4,-1.8 5,-0.2 -5,-0.5 4,-0.2 -0.796 360.0 360.0 -96.3 360.0 66.9 34.4 2.7 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 27 A N 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -30.6 73.2 31.6 -1.7 22 28 A G + 0 0 61 1,-0.2 2,-0.2 -3,-0.1 -4,-0.1 0.336 360.0 94.5 74.4 -8.5 71.5 31.9 1.8 23 29 A K S S- 0 0 97 -4,-0.2 -1,-0.2 4,-0.2 2,-0.1 -0.604 88.3 -78.2-109.3 171.8 71.2 35.7 1.6 24 30 A H > - 0 0 14 -5,-0.2 3,-3.2 -2,-0.2 -5,-0.2 -0.447 50.0-107.8 -66.3 143.5 68.4 38.1 0.5 25 31 A L T 3 S+ 0 0 17 -7,-0.6 -1,-0.1 1,-0.3 313,-0.1 0.804 117.3 63.1 -42.6 -43.4 68.1 38.4 -3.3 26 32 A V T 3 S+ 0 0 60 1,-0.1 2,-0.6 311,-0.1 -1,-0.3 0.637 92.5 79.6 -62.1 -10.5 69.5 42.0 -3.3 27 33 A L < + 0 0 67 -3,-3.2 -4,-0.2 310,-0.1 -1,-0.1 -0.875 54.5 149.7-106.5 115.4 72.8 40.5 -1.9 28 34 A G - 0 0 20 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.203 51.2 -38.7-108.7-130.3 75.2 38.9 -4.3 29 35 A K - 0 0 113 1,-0.1 -1,-0.2 298,-0.0 2,-0.1 -0.711 62.4 -96.3-105.1 154.5 79.0 38.6 -4.3 30 36 A Q - 0 0 186 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.416 45.2-129.4 -68.6 141.9 81.6 41.2 -3.2 31 37 A A - 0 0 38 -2,-0.1 -1,-0.1 1,-0.1 302,-0.1 -0.537 10.0-125.1 -97.6 160.5 83.0 43.1 -6.2 32 38 A S > - 0 0 65 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.564 28.7-107.7 -97.3 162.2 86.5 43.9 -7.3 33 39 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.844 118.9 52.7 -54.8 -34.0 88.1 47.3 -7.9 34 40 A D T 3 S+ 0 0 152 2,-0.1 2,-0.1 0, 0.0 299,-0.0 0.510 87.0 103.1 -87.2 -5.6 88.1 46.5 -11.7 35 41 A D S < S- 0 0 37 -3,-1.3 2,-0.8 1,-0.1 299,-0.2 -0.371 79.5-112.5 -73.1 157.1 84.4 45.6 -11.9 36 42 A I E -a 334 0A 12 297,-3.2 299,-2.0 -2,-0.1 2,-0.5 -0.819 32.4-160.3 -94.5 107.0 82.0 48.1 -13.4 37 43 A I E +a 335 0A 85 -2,-0.8 299,-0.2 297,-0.2 3,-0.1 -0.789 18.7 171.6 -96.0 126.1 79.7 49.2 -10.6 38 44 A L + 0 0 0 297,-5.1 316,-2.0 -2,-0.5 299,-0.2 -0.503 48.7 96.3-130.5 59.8 76.3 50.7 -11.6 39 45 A Q + 0 0 85 314,-0.2 2,-0.1 297,-0.1 -1,-0.1 0.574 53.6 97.1-124.1 -22.2 74.4 51.1 -8.4 40 46 A S - 0 0 66 314,-0.2 190,-0.1 -3,-0.1 5,-0.0 -0.462 57.8-149.7 -82.7 147.5 74.9 54.7 -7.2 41 47 A N + 0 0 29 188,-0.2 2,-2.1 -2,-0.1 192,-0.2 0.263 68.8 114.0 -92.1 8.1 72.5 57.5 -7.7 42 48 A D > + 0 0 19 1,-0.2 3,-2.1 190,-0.1 189,-0.2 -0.560 44.7 175.7 -78.3 75.0 75.4 59.8 -7.7 43 49 A Y T 3 S+ 0 0 0 -2,-2.1 314,-2.6 1,-0.3 -1,-0.2 0.758 75.3 37.6 -64.0 -30.2 74.8 60.6 -11.4 44 50 A L T 3 S- 0 0 1 312,-0.2 -1,-0.3 187,-0.2 312,-0.1 0.159 109.4-118.7-105.8 16.3 77.5 63.2 -11.7 45 51 A A < + 0 0 26 -3,-2.1 3,-0.2 1,-0.1 -2,-0.1 0.928 64.8 144.4 47.1 56.4 79.9 61.4 -9.5 46 52 A L > + 0 0 2 185,-0.2 3,-1.9 1,-0.1 -1,-0.1 0.368 33.4 105.4-100.0 0.8 80.1 64.2 -6.9 47 53 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -5,-0.1 -2,-0.1 0.819 92.1 28.3 -53.2 -39.1 80.4 61.9 -3.9 48 54 A N T 3 S+ 0 0 106 -3,-0.2 -1,-0.3 4,-0.0 399,-0.1 0.053 82.0 150.0-114.4 22.7 84.0 62.7 -3.3 49 55 A H <> - 0 0 37 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.394 41.4-144.6 -63.4 126.7 84.2 66.2 -4.8 50 56 A P H > S+ 0 0 95 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 96.7 53.1 -64.0 -42.0 87.0 68.1 -2.9 51 57 A L H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.879 112.0 47.0 -61.0 -37.8 85.2 71.5 -2.9 52 58 A I H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.967 113.9 45.2 -68.4 -51.4 82.1 69.9 -1.4 53 59 A K H X S+ 0 0 24 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.903 112.8 52.7 -61.5 -38.3 83.9 68.0 1.3 54 60 A A H X S+ 0 0 50 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.879 110.9 46.0 -65.2 -39.2 86.1 71.0 2.1 55 61 A R H X S+ 0 0 105 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.820 110.9 52.0 -75.7 -33.4 83.0 73.2 2.5 56 62 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.956 112.5 46.3 -61.8 -51.4 81.2 70.7 4.7 57 63 A A H < S+ 0 0 10 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.915 111.4 54.2 -57.4 -43.9 84.2 70.4 6.9 58 64 A K H >< S+ 0 0 144 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.935 112.4 39.0 -56.9 -54.9 84.5 74.2 7.0 59 65 A S H 3< S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 102.7 72.1 -67.7 -36.5 81.0 75.1 8.2 60 66 A L T 3< S+ 0 0 5 -4,-2.3 2,-0.4 -5,-0.2 3,-0.3 0.601 91.0 74.1 -54.0 -14.6 81.1 72.1 10.5 61 67 A L S < S+ 0 0 85 -3,-1.4 372,-0.0 -4,-0.4 0, 0.0 -0.899 91.3 30.5-103.4 136.0 83.5 74.2 12.5 62 68 A E S S+ 0 0 176 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.667 76.2 168.2 95.8 24.4 82.2 77.2 14.6 63 69 A E + 0 0 29 -3,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.144 24.0 178.6 -52.4 153.9 78.7 76.0 15.5 64 70 A Q + 0 0 151 368,-0.0 -1,-0.2 0, 0.0 369,-0.1 0.885 52.1 135.7 -59.5 -66.5 76.6 77.7 18.0 65 71 A Q + 0 0 40 367,-0.1 2,-2.5 -3,-0.1 -2,-0.1 -0.581 30.4 141.6-143.2 58.8 74.8 75.5 17.2 66 72 A S + 0 0 39 1,-0.2 358,-0.1 -3,-0.1 361,-0.1 -0.431 27.5 146.9 -76.6 77.2 72.7 73.3 19.3 67 73 A L + 0 0 33 -2,-2.5 2,-1.4 358,-0.1 194,-0.3 -0.245 12.0 146.4-103.8 42.8 69.6 73.2 17.0 68 74 A F + 0 0 11 192,-0.1 358,-2.2 528,-0.0 2,-0.3 -0.651 42.5 86.1 -84.0 94.1 68.6 69.7 17.9 69 75 A M S S- 0 0 7 -2,-1.4 192,-2.1 356,-0.2 2,-0.1 -0.927 87.6 -62.2-173.1 174.6 64.9 70.0 17.6 70 76 A S B > -B 260 0B 13 -2,-0.3 3,-1.3 190,-0.2 190,-0.2 -0.435 41.3-121.0 -79.1 154.8 62.3 69.9 14.9 71 77 A A G > S+ 0 0 15 185,-0.6 3,-2.2 188,-0.6 186,-0.1 0.716 105.1 79.3 -63.7 -22.2 62.4 72.3 12.0 72 78 A S G > S+ 0 0 8 184,-0.7 3,-0.8 1,-0.3 -1,-0.3 0.878 90.9 53.6 -56.0 -34.4 58.9 73.4 12.9 73 79 A F G < S+ 0 0 24 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.559 105.4 55.7 -76.8 -6.7 60.6 75.6 15.6 74 80 A L G < + 0 0 21 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 -0.134 68.7 110.3-118.3 36.2 62.9 77.2 13.0 75 81 A Q < + 0 0 26 -3,-0.8 -1,-0.1 4,-0.1 2,-0.1 0.430 45.1 112.2 -96.3 1.1 60.4 78.6 10.6 76 82 A N S >> S- 0 0 15 -3,-0.2 3,-1.9 1,-0.1 4,-1.2 -0.449 82.9-111.3 -61.1 146.0 61.1 82.2 11.4 77 83 A D G >4 S+ 0 0 136 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.919 116.6 53.1 -41.6 -59.3 62.8 84.1 8.6 78 84 A Y G 34 S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.0 -3,-0.1 0.571 110.7 48.5 -61.8 -11.3 66.1 84.4 10.3 79 85 A D G <4 S+ 0 0 60 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.620 86.2 100.3-102.0 -16.4 66.2 80.7 11.0 80 86 A K S << S- 0 0 49 -3,-1.3 -5,-0.1 -4,-1.2 17,-0.0 -0.593 80.1-113.1 -79.2 125.9 65.4 79.5 7.5 81 87 A P >> - 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.230 10.7-131.3 -61.5 139.1 68.5 78.4 5.5 82 88 A M H 3> S+ 0 0 107 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.730 102.5 76.4 -64.5 -21.0 69.6 80.5 2.5 83 89 A I H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.762 88.4 59.3 -59.3 -25.1 69.9 77.2 0.5 84 90 A E H <> S+ 0 0 9 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.972 106.6 44.1 -68.0 -52.7 66.1 77.2 0.3 85 91 A K H X S+ 0 0 111 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.883 116.0 49.7 -54.7 -41.2 66.0 80.6 -1.5 86 92 A R H X S+ 0 0 46 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.907 110.7 47.2 -70.3 -43.0 68.8 79.4 -3.7 87 93 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 6,-0.3 0.863 111.7 52.9 -63.3 -35.8 67.2 76.1 -4.6 88 94 A A H X S+ 0 0 7 -4,-2.3 4,-1.9 -5,-0.2 5,-0.5 0.904 111.9 44.0 -65.8 -41.5 63.9 78.0 -5.3 89 95 A K H < S+ 0 0 166 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 111.2 54.8 -71.5 -40.4 65.7 80.3 -7.7 90 96 A F H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.4 37.2 -52.7 -38.5 67.6 77.5 -9.4 91 97 A T H < S- 0 0 5 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.756 105.7-121.0 -99.4 -27.6 64.5 75.6 -10.1 92 98 A G < + 0 0 38 -4,-1.9 2,-0.2 1,-0.4 -3,-0.2 0.316 68.8 129.0 100.0 -6.5 62.1 78.5 -11.0 93 99 A F - 0 0 6 -5,-0.5 -1,-0.4 -6,-0.3 -2,-0.2 -0.548 64.9-125.0 -80.1 149.4 59.6 77.7 -8.2 94 100 A D S S+ 0 0 95 -2,-0.2 2,-0.3 1,-0.1 148,-0.2 0.890 86.6 18.9 -56.0 -47.7 58.4 80.4 -5.8 95 101 A E E -C 241 0C 54 146,-2.1 146,-2.4 -7,-0.1 2,-0.4 -0.973 57.3-164.6-138.0 145.3 59.4 78.5 -2.6 96 102 A C E -C 240 0C 8 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.965 3.5-167.7-128.1 144.8 61.5 75.7 -1.4 97 103 A L E -C 239 0C 9 142,-2.4 142,-2.4 -2,-0.4 2,-0.2 -0.996 20.2-130.3-130.5 127.4 61.4 73.8 1.9 98 104 A L E -C 238 0C 24 -2,-0.4 2,-0.3 140,-0.2 140,-0.3 -0.521 25.8-174.7 -76.7 145.9 64.2 71.4 3.1 99 105 A S E -C 237 0C 13 138,-2.8 138,-1.9 -2,-0.2 3,-0.1 -0.834 37.2-111.2-132.7 168.5 63.3 67.9 4.4 100 106 A Q S S- 0 0 16 -2,-0.3 2,-0.3 136,-0.3 3,-0.1 0.653 95.2 -9.9 -81.7 -9.4 65.3 65.1 5.9 101 107 A S S > S- 0 0 10 135,-0.1 4,-1.9 1,-0.1 136,-0.4 -0.957 71.3-100.9-171.3 164.1 64.9 62.9 2.9 102 108 A G H > S+ 0 0 7 134,-0.6 4,-2.0 -2,-0.3 5,-0.2 0.835 122.3 57.4 -62.1 -36.7 63.1 62.6 -0.4 103 109 A W H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.953 108.4 45.5 -58.8 -49.7 60.8 60.1 1.3 104 110 A N H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.878 107.6 58.1 -63.3 -37.1 59.9 62.7 3.9 105 111 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.919 112.2 41.0 -58.9 -45.5 59.4 65.4 1.3 106 112 A N H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 116.8 46.2 -70.1 -47.2 56.8 63.3 -0.4 107 113 A V H X S+ 0 0 4 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.946 116.6 46.5 -58.4 -47.8 55.0 62.1 2.7 108 114 A G H X S+ 0 0 1 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.933 111.7 48.8 -63.8 -47.5 55.0 65.6 4.2 109 115 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.931 112.9 47.8 -60.7 -45.7 53.8 67.4 1.2 110 116 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.821 109.3 53.0 -65.8 -33.8 50.9 64.9 0.6 111 117 A Q H < S+ 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.878 110.6 49.6 -67.8 -34.1 49.8 65.1 4.2 112 118 A T H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.0 33.2 -74.0 -36.8 49.7 68.8 3.9 113 119 A I H < S+ 0 0 0 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.564 104.6 83.0-100.8 -7.7 47.6 68.9 0.7 114 120 A C < - 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