==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-DEC-04 2BGH . COMPND 2 MOLECULE: VINORINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RAUVOLFIA SERPENTINA; . AUTHOR X.MA,J.KOEPKE,S.PANJIKAR,G.FRITZSCH,J.STOECKIGT . 825 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 60 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 5 1 1 2 0 2 0 0 1 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 5 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 . 4 0 4 3 0 0 2 8 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 . 0 2 0 0 0 2 0 0 0 0 1 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 Q 0 0 156 0, 0.0 98,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 106.5 38.6 35.4 18.9 2 5 A M E -A 98 0A 35 96,-0.2 2,-0.4 97,-0.1 96,-0.2 -0.822 360.0-155.1-117.0 152.5 36.1 34.2 21.6 3 6 A E E -A 97 0A 112 94,-2.7 94,-2.6 -2,-0.3 2,-0.3 -0.988 25.0-119.5-122.3 138.3 36.2 33.0 25.2 4 7 A K E -A 96 0A 113 -2,-0.4 92,-0.3 92,-0.2 3,-0.1 -0.570 24.3-176.0 -71.3 131.1 33.6 30.7 26.9 5 8 A V E - 0 0 55 90,-3.8 2,-0.3 1,-0.3 91,-0.2 0.807 59.7 -31.4 -92.9 -39.4 31.9 32.4 29.8 6 9 A S E -A 95 0A 12 89,-1.4 89,-2.5 2,-0.0 2,-0.4 -0.984 40.8-143.6-172.9 156.3 29.8 29.5 31.1 7 10 A E E +A 94 0A 61 -2,-0.3 419,-0.6 87,-0.2 2,-0.3 -0.994 27.1 165.0-137.2 134.6 27.9 26.3 30.3 8 11 A E E -AB 93 425A 6 85,-1.5 85,-2.8 -2,-0.4 2,-0.5 -0.923 35.3-118.8-138.6 161.3 24.7 25.4 32.1 9 12 A L E -AB 92 424A 14 415,-2.5 415,-2.8 -2,-0.3 2,-0.5 -0.949 25.4-143.6-106.2 120.2 21.9 22.9 31.6 10 13 A I E -AB 91 423A 0 81,-2.8 81,-2.4 -2,-0.5 413,-0.2 -0.728 17.2-164.4 -86.5 122.8 18.4 24.5 31.1 11 14 A L E - B 0 422A 17 411,-2.1 411,-0.5 -2,-0.5 57,-0.2 -0.640 32.7 -91.4 -96.9 158.2 15.6 22.5 32.6 12 15 A P - 0 0 2 0, 0.0 54,-0.2 0, 0.0 53,-0.1 -0.476 43.0-115.0 -60.9 148.2 11.8 22.8 32.0 13 16 A S S S+ 0 0 24 52,-2.3 53,-0.1 1,-0.1 408,-0.1 0.813 105.2 32.8 -66.4 -28.1 10.4 25.3 34.6 14 17 A S S S- 0 0 63 51,-0.3 -1,-0.1 52,-0.1 408,-0.0 -0.998 103.7-102.3-122.7 131.4 8.3 22.5 36.1 15 18 A P - 0 0 83 0, 0.0 -2,-0.1 0, 0.0 57,-0.0 -0.035 40.3 -98.8 -49.0 148.2 9.6 18.9 36.1 16 19 A T - 0 0 18 70,-0.1 2,-0.1 56,-0.1 53,-0.0 -0.595 41.5-116.4 -70.8 121.0 8.2 16.5 33.5 17 20 A P > - 0 0 71 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.370 14.3-127.5 -54.3 129.3 5.5 14.3 35.2 18 21 A Q T 3 S+ 0 0 189 1,-0.3 3,-0.4 2,-0.1 68,-0.1 0.792 112.3 59.2 -43.6 -29.7 6.6 10.7 35.2 19 22 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.776 79.5 89.7 -62.1 -33.9 3.1 10.4 33.7 20 23 A L S < S- 0 0 85 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.1 0.527 80.6-126.8 -71.8 -18.8 3.6 12.6 30.6 21 24 A K - 0 0 145 -3,-0.4 -1,-0.1 -4,-0.3 3,-0.1 0.753 19.5-126.9 80.2 111.1 4.8 10.3 27.7 22 25 A a - 0 0 24 1,-0.2 2,-0.1 62,-0.2 63,-0.1 -0.341 43.3 -66.8 -84.3 166.9 7.9 11.2 25.8 23 26 A Y - 0 0 4 -2,-0.1 61,-0.7 1,-0.1 2,-0.4 -0.324 49.8-137.4 -52.6 125.5 8.3 11.5 22.1 24 27 A K B -L 83 0B 130 163,-0.7 167,-0.3 59,-0.1 2,-0.3 -0.784 20.0-119.1 -90.8 131.9 7.9 8.2 20.3 25 28 A I - 0 0 4 57,-0.7 2,-0.1 -2,-0.4 134,-0.1 -0.534 29.5-150.3 -75.1 129.1 10.5 7.5 17.5 26 29 A S > - 0 0 0 -2,-0.3 4,-1.8 169,-0.1 165,-0.1 -0.452 28.4-105.0 -92.8 171.0 8.9 7.0 14.1 27 30 A H H > S+ 0 0 39 167,-2.4 4,-1.4 2,-0.2 -1,-0.1 0.919 122.2 54.1 -57.1 -46.4 10.1 4.9 11.2 28 31 A L H 4 S+ 0 0 15 166,-0.3 3,-0.4 1,-0.2 4,-0.4 0.913 107.5 50.3 -58.7 -45.6 11.1 8.1 9.4 29 32 A D H >4 S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.877 105.2 57.9 -54.3 -40.9 13.3 9.2 12.4 30 33 A Q H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 103.5 53.1 -63.6 -31.5 14.9 5.8 12.4 31 34 A L T 3< S+ 0 0 61 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.559 97.2 89.4 -80.8 -10.3 16.1 6.3 8.9 32 35 A L S < S- 0 0 44 -3,-1.5 2,-0.1 -4,-0.4 126,-0.1 -0.413 82.0-100.2 -88.0 163.4 17.7 9.7 9.7 33 36 A L - 0 0 33 169,-0.1 171,-0.1 -2,-0.1 -1,-0.1 -0.403 17.4-131.0 -71.3 156.4 21.2 10.5 10.9 34 37 A T S S+ 0 0 12 169,-0.5 124,-0.1 123,-0.1 -1,-0.1 0.293 75.3 113.0 -86.4 12.6 22.1 11.2 14.5 35 38 A C S S- 0 0 9 121,-0.1 122,-2.4 1,-0.1 123,-0.3 -0.297 70.3-111.2 -72.8 165.3 24.0 14.4 13.3 36 39 A H E -C 156 0A 5 87,-2.0 120,-0.2 120,-0.2 -1,-0.1 -0.711 13.3-120.1-101.3 158.0 22.5 17.8 14.4 37 40 A I E -C 155 0A 7 118,-3.3 118,-1.5 -2,-0.3 2,-0.5 -0.829 34.7-148.2 -84.9 111.1 20.8 20.5 12.3 38 41 A P E +C 154 0A 1 0, 0.0 2,-0.4 0, 0.0 329,-0.3 -0.754 21.4 177.5 -91.8 132.8 23.1 23.4 12.9 39 42 A F E -C 153 0A 0 114,-2.7 114,-3.1 -2,-0.5 2,-0.4 -0.995 7.4-171.7-138.2 132.5 21.4 26.8 12.8 40 43 A I E -CD 152 365A 0 325,-2.1 325,-2.3 -2,-0.4 2,-0.4 -0.982 6.2-171.3-135.5 127.1 22.7 30.4 13.5 41 44 A L E -CD 151 364A 0 110,-2.4 110,-2.3 -2,-0.4 2,-0.5 -0.936 8.1-159.3-112.6 135.7 21.1 33.8 13.8 42 45 A F E -CD 150 363A 0 321,-2.2 320,-3.3 -2,-0.4 321,-1.4 -0.976 9.8-168.5-114.2 128.2 23.1 37.0 14.0 43 46 A Y E -C 149 0A 1 106,-2.7 106,-2.0 -2,-0.5 59,-0.1 -0.906 15.8-131.4-112.6 136.2 21.3 40.0 15.6 44 47 A P - 0 0 58 0, 0.0 105,-0.2 0, 0.0 3,-0.0 -0.175 46.4 -74.6 -70.5 176.6 22.6 43.6 15.4 45 48 A N - 0 0 77 103,-0.2 103,-0.2 1,-0.1 102,-0.1 -0.696 63.5-112.5 -71.6 122.4 22.9 45.8 18.4 46 49 A P - 0 0 22 0, 0.0 313,-0.1 0, 0.0 -1,-0.1 -0.100 13.7-147.0 -57.0 154.9 19.2 46.8 19.1 47 50 A L S S+ 0 0 173 311,-0.2 312,-0.1 -3,-0.0 -2,-0.0 0.700 93.7 40.5 -97.9 -20.2 18.0 50.4 18.7 48 51 A D S S+ 0 0 149 310,-0.1 2,-0.1 0, 0.0 310,-0.1 0.886 108.9 56.2 -88.6 -47.1 15.4 50.4 21.6 49 52 A S - 0 0 37 309,-0.1 309,-0.0 1,-0.1 0, 0.0 -0.459 47.8-167.3 -98.8 161.2 17.1 48.5 24.4 50 53 A N + 0 0 160 -2,-0.1 2,-0.3 -5,-0.0 -1,-0.1 -0.330 33.8 164.6-137.3 46.7 20.4 48.8 26.3 51 54 A L - 0 0 71 1,-0.1 -2,-0.0 96,-0.1 0, 0.0 -0.537 36.6-120.1 -79.0 134.4 20.5 45.4 28.0 52 55 A D > - 0 0 61 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.334 28.2-113.1 -56.5 140.3 23.6 43.9 29.7 53 56 A P H > S+ 0 0 62 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.930 122.0 54.7 -39.2 -49.8 24.8 40.5 28.4 54 57 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.896 110.7 43.7 -53.3 -48.8 23.7 39.1 31.8 55 58 A Q H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 113.4 50.6 -63.4 -47.1 20.2 40.6 31.4 56 59 A T H X S+ 0 0 13 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.911 112.4 47.6 -58.0 -45.7 19.9 39.4 27.7 57 60 A S H X S+ 0 0 2 -4,-3.4 4,-3.2 -5,-0.3 5,-0.2 0.903 108.8 54.6 -62.5 -40.3 21.0 35.9 28.8 58 61 A Q H X S+ 0 0 40 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.929 107.5 49.0 -59.3 -47.6 18.5 35.8 31.7 59 62 A H H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.933 115.8 45.7 -55.8 -44.7 15.6 36.6 29.4 60 63 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 115.6 43.4 -66.2 -49.2 16.8 33.8 27.1 61 64 A K H X S+ 0 0 10 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.924 115.2 47.6 -64.7 -47.0 17.4 31.2 29.8 62 65 A Q H X S+ 0 0 40 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.914 114.9 47.0 -61.1 -41.3 14.2 31.9 31.7 63 66 A S H X S+ 0 0 9 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.874 110.6 51.4 -72.0 -36.8 12.2 31.8 28.5 64 67 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.953 110.7 50.5 -57.2 -47.7 13.9 28.6 27.3 65 68 A S H < S+ 0 0 0 -4,-2.5 -52,-2.3 1,-0.2 4,-0.3 0.890 111.0 47.8 -59.8 -45.0 13.0 27.0 30.7 66 69 A K H >< S+ 0 0 97 -4,-2.2 3,-1.5 -54,-0.2 4,-0.3 0.944 113.3 47.2 -58.7 -49.7 9.4 28.1 30.4 67 70 A V H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 3,-1.5 0.732 97.5 69.6 -73.5 -19.4 9.0 26.8 26.9 68 71 A L T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 7,-0.2 0.644 84.1 73.5 -74.3 -8.7 10.7 23.4 27.6 69 72 A T T <4 S+ 0 0 43 -3,-1.5 -1,-0.3 -4,-0.3 3,-0.3 0.811 108.1 32.5 -70.2 -26.8 7.6 22.7 29.6 70 73 A H T <4 S+ 0 0 75 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.770 126.5 41.4 -96.7 -32.1 5.8 22.3 26.3 71 74 A F S >< S+ 0 0 0 -4,-1.9 3,-2.6 1,-0.2 4,-0.2 -0.199 74.4 145.5-104.0 39.4 8.9 20.9 24.4 72 75 A Y G > + 0 0 24 1,-0.3 3,-2.8 -3,-0.3 4,-0.3 0.803 60.7 67.3 -54.6 -35.2 10.0 18.6 27.3 73 76 A P G > S+ 0 0 5 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.814 89.9 67.6 -54.7 -24.5 11.3 15.9 25.1 74 77 A L G < S+ 0 0 4 -3,-2.6 63,-0.4 1,-0.3 -2,-0.2 0.620 98.1 51.3 -73.0 -8.6 13.9 18.3 24.0 75 78 A A G < S+ 0 0 0 -3,-2.8 15,-2.6 -4,-0.2 14,-1.5 0.349 99.4 81.9-104.0 2.5 15.4 18.2 27.6 76 79 A G S < S- 0 0 0 -3,-1.5 2,-0.4 -4,-0.3 61,-0.2 0.043 82.9-106.1 -87.3-161.2 15.6 14.4 27.6 77 80 A R E -M 85 0B 42 8,-2.1 8,-3.0 58,-0.1 2,-0.2 -0.995 27.3-117.5-135.4 141.3 18.2 12.1 26.1 78 81 A I E -M 84 0B 12 56,-3.3 2,-0.7 -2,-0.4 6,-0.2 -0.534 11.6-156.7 -82.1 141.9 17.9 10.0 23.0 79 82 A N E >> -M 83 0B 78 4,-3.2 4,-1.8 -2,-0.2 3,-1.8 -0.854 42.2-111.1-118.6 92.0 18.2 6.3 23.2 80 83 A V T 34 S- 0 0 60 -2,-0.7 54,-0.0 1,-0.3 -50,-0.0 0.113 84.6 -0.8 -62.1 150.0 19.2 5.6 19.6 81 84 A N T 34 S+ 0 0 14 1,-0.1 -1,-0.3 -52,-0.1 119,-0.2 -0.264 132.4 44.0 52.8 -18.6 17.0 3.9 17.3 82 85 A S T <4 S- 0 0 75 -3,-1.8 -57,-0.7 1,-0.3 2,-0.3 0.871 105.9 -32.3-115.4 -40.6 14.1 3.4 19.7 83 86 A S E < -LM 24 79B 43 -4,-1.8 -4,-3.2 -59,-0.1 2,-0.4 -0.931 45.6-101.5-166.9-178.4 13.1 6.2 21.9 84 87 A V E - M 0 78B 8 -61,-0.7 2,-0.7 -2,-0.3 -6,-0.2 -0.995 25.9-136.9-126.2 128.1 13.8 9.3 24.0 85 88 A D E - M 0 77B 79 -8,-3.0 -8,-2.1 -2,-0.4 2,-1.8 -0.783 8.8-151.0 -83.7 118.9 14.1 9.3 27.8 86 89 A a + 0 0 26 -2,-0.7 -70,-0.1 -10,-0.2 -10,-0.1 -0.363 48.0 139.7 -80.7 57.5 12.2 12.3 29.2 87 90 A N - 0 0 80 -2,-1.8 -1,-0.2 -14,-0.1 -11,-0.1 0.331 65.9-121.6 -90.1 10.6 14.6 12.4 32.1 88 91 A D + 0 0 27 -16,-0.2 -12,-0.2 -3,-0.2 -2,-0.1 0.931 55.2 154.9 48.4 51.1 14.9 16.2 32.3 89 92 A S - 0 0 31 -14,-1.5 -13,-0.2 1,-0.1 -1,-0.1 0.820 50.5-130.2 -73.2 -31.6 18.8 16.0 31.8 90 93 A G - 0 0 0 -15,-2.6 -79,-0.2 -81,-0.1 47,-0.1 -0.021 12.4 -76.0 107.2 157.7 18.5 19.6 30.4 91 94 A V E -A 10 0A 0 -81,-2.4 -81,-2.8 45,-0.1 47,-0.2 -0.836 44.8-117.6 -97.6 122.9 19.7 21.5 27.4 92 95 A P E -A 9 0A 16 0, 0.0 47,-2.6 0, 0.0 2,-0.5 -0.306 30.6-166.7 -49.2 128.8 23.3 22.7 27.2 93 96 A F E -Ae 8 139A 1 -85,-2.8 -85,-1.5 45,-0.2 2,-0.4 -0.954 4.0-165.6-128.6 108.4 23.4 26.5 27.2 94 97 A V E -Ae 7 140A 5 45,-2.8 47,-2.9 -2,-0.5 2,-0.5 -0.776 4.4-163.2-105.0 137.5 26.7 28.0 26.2 95 98 A E E +Ae 6 141A 6 -89,-2.5 -90,-3.8 -2,-0.4 -89,-1.4 -0.973 13.4 173.4-120.9 131.6 27.7 31.6 26.7 96 99 A A E -Ae 4 142A 2 45,-2.5 47,-2.4 -2,-0.5 2,-0.4 -0.954 23.4-146.3-134.0 155.3 30.6 33.3 25.0 97 100 A R E -Ae 3 143A 97 -94,-2.6 -94,-2.7 -2,-0.3 2,-0.5 -0.958 16.8-155.1-115.1 134.8 32.2 36.7 24.6 98 101 A V E -A 2 0A 3 45,-2.6 2,-2.5 -2,-0.4 47,-0.4 -0.964 16.2-135.5-118.0 126.9 33.9 37.6 21.3 99 102 A Q S S+ 0 0 101 -98,-2.5 2,-0.3 -2,-0.5 45,-0.1 -0.372 79.2 60.0 -78.3 62.8 36.6 40.3 21.2 100 103 A A S S- 0 0 25 -2,-2.5 45,-2.1 4,-0.0 46,-0.3 -0.944 86.4 -91.6-173.7 160.6 35.2 42.0 18.0 101 104 A Q > - 0 0 107 -2,-0.3 4,-2.3 43,-0.2 3,-0.2 -0.625 37.4-117.7 -82.7 147.1 32.2 43.9 16.6 102 105 A L H > S+ 0 0 4 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.897 112.6 48.8 -49.5 -56.4 29.5 41.9 14.8 103 106 A S H > S+ 0 0 55 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.892 112.7 48.4 -53.2 -45.5 29.9 43.6 11.5 104 107 A Q H 4 S+ 0 0 132 1,-0.2 3,-0.3 -3,-0.2 -1,-0.2 0.872 112.1 50.0 -64.4 -39.0 33.7 43.2 11.5 105 108 A A H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 121.2 29.4 -72.0 -33.6 33.4 39.5 12.4 106 109 A I H < S+ 0 0 1 -4,-2.0 306,-3.3 -5,-0.2 3,-0.4 0.278 90.6 89.9-119.6 15.4 30.9 38.5 9.7 107 110 A Q S < S+ 0 0 89 -4,-0.9 303,-0.2 -3,-0.3 -1,-0.1 0.530 103.0 24.4 -87.7 -10.2 31.5 40.8 6.7 108 111 A N + 0 0 108 -4,-0.2 2,-1.4 -3,-0.2 -1,-0.2 -0.299 67.2 171.4-153.7 63.2 34.0 38.5 5.1 109 112 A V + 0 0 15 301,-2.8 3,-0.1 -3,-0.4 -3,-0.1 -0.647 5.3 175.2 -80.8 95.6 33.6 34.9 6.2 110 113 A V S S+ 0 0 88 -2,-1.4 2,-0.6 1,-0.2 -1,-0.2 0.853 72.9 38.5 -72.3 -41.4 36.1 33.3 3.7 111 114 A E S > S- 0 0 108 -3,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.975 70.9-159.6-111.1 115.8 35.8 29.8 5.2 112 115 A L G > S+ 0 0 6 -2,-0.6 3,-1.5 101,-0.5 4,-0.2 0.638 86.0 76.3 -70.1 -11.4 32.2 29.1 6.2 113 116 A E G > S+ 0 0 64 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.869 78.3 71.6 -68.8 -32.8 33.5 26.4 8.5 114 117 A K G X S+ 0 0 120 -3,-1.1 3,-0.8 1,-0.3 -1,-0.3 0.499 76.6 79.6 -60.0 -5.3 34.7 29.0 10.9 115 118 A L G X S+ 0 0 2 -3,-1.5 3,-2.1 1,-0.2 -1,-0.3 0.672 70.1 87.9 -75.7 -18.4 30.9 29.6 11.8 116 119 A D G X S+ 0 0 68 -3,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.792 71.7 70.8 -35.1 -43.8 31.4 26.4 13.9 117 120 A Q G < S+ 0 0 74 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.696 92.4 55.9 -59.2 -23.6 32.5 28.7 16.8 118 121 A Y G < S+ 0 0 7 -3,-2.1 34,-0.3 -4,-0.1 -1,-0.3 0.487 91.1 90.3 -86.0 -8.5 28.9 30.0 17.2 119 122 A L S < S- 0 0 9 -3,-2.1 20,-0.1 -4,-0.3 34,-0.1 -0.600 76.7-137.8 -83.3 148.5 27.5 26.5 17.7 120 123 A P S S- 0 0 19 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.583 80.4 -6.7 -80.4 -13.7 27.4 25.1 21.3 121 124 A S S S- 0 0 33 -5,-0.1 2,-0.3 17,-0.1 10,-0.1 -0.924 96.9 -55.5-164.5 177.5 28.7 21.7 20.2 122 125 A A - 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