==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-JAN-13 4IWO . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE TBK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.PANNE,A.LARABI . 629 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 1 1 0 0 1 0 1 2 1 0 0 1 0 0 0 0 1 0 0 0 1 0 1 0 0 3 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 3 1 2 1 2 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 . 0 1 1 1 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 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 -2 A G 0 0 140 0, 0.0 2,-0.2 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 74.0 -5.8 -7.3 8.1 2 -1 A A - 0 0 85 1,-0.1 2,-0.2 0, 0.0 13,-0.0 -0.610 360.0 -65.6-126.1-172.8 -7.9 -4.5 9.6 3 0 A M + 0 0 134 -2,-0.2 11,-0.8 10,-0.1 2,-0.3 -0.492 45.3 179.3 -79.6 145.0 -9.2 -3.4 13.0 4 1 A G - 0 0 22 9,-0.2 9,-0.2 -2,-0.2 0, 0.0 -0.980 27.5-109.5-139.4 154.2 -11.6 -5.4 15.1 5 2 A Q - 0 0 32 -2,-0.3 7,-2.3 6,-0.1 2,-0.3 -0.149 35.5-174.4 -73.4 174.7 -13.2 -4.9 18.5 6 3 A S B -A 11 0A 40 5,-0.2 74,-2.8 23,-0.0 75,-0.3 -0.971 15.9-149.6-171.1 160.6 -12.4 -6.9 21.6 7 4 A T B -F 79 0B 2 3,-3.1 72,-0.2 -2,-0.3 25,-0.0 -0.687 46.6 -84.9-131.8 172.2 -13.2 -7.5 25.3 8 5 A S S S+ 0 0 79 70,-0.6 71,-0.1 1,-0.2 3,-0.0 0.859 128.0 17.4 -58.5 -38.9 -11.2 -8.6 28.3 9 6 A N S S+ 0 0 61 23,-0.1 23,-3.6 22,-0.0 24,-0.4 0.538 126.7 51.1-108.2 -8.1 -11.6 -12.3 27.5 10 7 A H E - B 0 31A 9 21,-0.3 -3,-3.1 22,-0.1 2,-0.3 -0.841 52.4-174.6-129.9 164.2 -12.6 -12.1 23.8 11 8 A L E +AB 6 30A 82 19,-1.9 19,-2.2 -2,-0.3 2,-0.3 -0.985 8.7 171.2-153.8 151.3 -11.6 -10.6 20.5 12 9 A W E - B 0 29A 6 -7,-2.3 2,-0.3 -2,-0.3 17,-0.2 -0.994 29.7-115.3-158.8 157.7 -13.1 -10.5 17.0 13 10 A L E - 0 0 73 15,-0.7 -9,-0.2 -2,-0.3 15,-0.2 -0.734 15.6-141.9 -93.4 146.7 -12.7 -8.9 13.5 14 11 A L E S+ 0 0 74 -11,-0.8 -10,-0.1 -2,-0.3 -1,-0.1 0.689 102.6 66.1 -77.4 -19.1 -15.5 -6.7 12.2 15 12 A S E S+ 0 0 87 -12,-0.2 2,-1.2 1,-0.2 -1,-0.2 0.854 89.0 71.4 -68.0 -35.3 -14.8 -8.2 8.8 16 13 A D E S+ 0 0 67 12,-0.2 12,-1.0 -3,-0.1 2,-0.5 -0.706 70.7 167.6 -83.9 95.3 -16.1 -11.5 10.2 17 14 A I E - B 0 27A 65 -2,-1.2 10,-0.3 10,-0.2 3,-0.1 -0.943 20.1-178.8-121.2 116.6 -19.8 -10.7 10.5 18 15 A L E - 0 0 78 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.970 66.6 -10.1 -76.9 -61.0 -22.4 -13.5 11.2 19 16 A G E - B 0 26A 35 7,-1.1 7,-2.3 2,-0.0 2,-0.5 -0.987 55.5-139.3-142.2 153.1 -25.7 -11.7 11.2 20 17 A Q E + B 0 25A 164 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.963 27.3 169.5-116.5 127.0 -27.0 -8.1 11.2 21 18 A G - 0 0 45 3,-1.8 23,-0.1 -2,-0.5 -2,-0.0 -0.723 43.4-105.3-124.5 177.8 -30.0 -7.1 13.3 22 19 A A S S+ 0 0 104 -2,-0.2 -1,-0.1 1,-0.1 22,-0.1 0.986 115.6 25.8 -66.4 -61.5 -31.8 -3.9 14.4 23 20 A T S S+ 0 0 58 1,-0.1 21,-2.6 20,-0.1 2,-0.3 0.919 130.7 8.6 -70.7 -45.5 -30.6 -3.7 18.0 24 21 A A E - C 0 43A 7 19,-0.3 -3,-1.8 21,-0.1 2,-0.3 -0.799 58.6-133.1-135.8 170.5 -27.3 -5.6 17.6 25 22 A N E -BC 20 42A 26 17,-2.7 17,-2.6 -2,-0.3 2,-0.4 -0.883 17.1-140.8-120.7 158.7 -24.8 -7.3 15.4 26 23 A V E -BC 19 41A 39 -7,-2.3 -8,-2.2 -2,-0.3 -7,-1.1 -0.981 17.5-171.0-125.0 128.3 -23.2 -10.7 15.7 27 24 A F E -BC 17 40A 8 13,-2.5 13,-2.5 -2,-0.4 2,-0.7 -0.872 30.4-115.0-117.7 148.3 -19.5 -11.4 14.9 28 25 A R E + C 0 39A 99 -12,-1.0 -15,-0.7 -2,-0.3 2,-0.3 -0.729 54.5 165.7 -75.0 115.5 -17.4 -14.6 14.5 29 26 A G E -BC 12 38A 2 9,-2.3 9,-3.1 -2,-0.7 2,-0.3 -0.885 30.1-135.0-135.7 165.2 -15.0 -14.3 17.4 30 27 A R E -BC 11 37A 131 -19,-2.2 -19,-1.9 -2,-0.3 7,-0.2 -0.889 25.3-110.2-121.1 151.0 -12.4 -16.2 19.5 31 28 A H E > -B 10 0A 38 5,-2.0 4,-0.6 -2,-0.3 -21,-0.3 -0.483 25.9-132.6 -72.0 148.0 -11.7 -16.5 23.2 32 29 A K T 4 S+ 0 0 118 -23,-3.6 -22,-0.1 -2,-0.1 -1,-0.1 0.941 98.2 32.0 -69.7 -49.3 -8.3 -14.9 24.2 33 30 A K T 4 S+ 0 0 173 -24,-0.4 -1,-0.1 1,-0.1 -23,-0.1 0.947 134.1 23.6 -74.9 -52.9 -6.9 -17.7 26.3 34 31 A T T 4 S- 0 0 88 2,-0.1 -2,-0.1 1,-0.0 -1,-0.1 0.685 89.0-136.7 -94.1 -21.3 -8.3 -20.9 24.7 35 32 A G < + 0 0 22 -4,-0.6 2,-0.1 1,-0.2 -3,-0.1 0.593 47.0 155.7 75.6 11.1 -9.0 -19.6 21.2 36 33 A D - 0 0 97 -6,-0.1 -5,-2.0 1,-0.1 -1,-0.2 -0.439 46.5-105.5 -74.2 145.1 -12.4 -21.3 21.0 37 34 A L E +C 30 0A 56 -7,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.447 44.1 169.5 -75.1 138.4 -15.0 -19.9 18.6 38 35 A F E -C 29 0A 40 -9,-3.1 -9,-2.3 -2,-0.2 2,-0.7 -0.988 37.9-114.2-144.5 153.4 -18.0 -17.9 19.9 39 36 A A E -CD 28 89A 9 50,-3.0 50,-3.8 -2,-0.3 2,-0.6 -0.810 32.3-156.7 -88.0 115.0 -20.8 -15.8 18.6 40 37 A I E -CD 27 88A 0 -13,-2.5 -13,-2.5 -2,-0.7 2,-0.8 -0.842 1.6-158.2 -99.1 118.2 -20.2 -12.2 19.9 41 38 A K E -CD 26 87A 41 46,-3.0 46,-2.3 -2,-0.6 2,-0.6 -0.835 10.0-171.5-100.1 107.8 -23.4 -10.0 20.1 42 39 A V E -CD 25 86A 1 -17,-2.6 -17,-2.7 -2,-0.8 2,-0.4 -0.875 21.3-127.8-105.2 122.3 -22.6 -6.3 20.1 43 40 A F E -C 24 0A 11 42,-1.5 2,-0.5 -2,-0.6 3,-0.4 -0.502 19.3-149.4 -69.9 123.6 -25.4 -3.8 20.7 44 41 A N S S+ 0 0 67 -21,-2.6 -1,-0.0 -2,-0.4 -2,-0.0 -0.790 75.0 3.2 -96.2 128.1 -25.7 -1.1 18.1 45 42 A N S S+ 0 0 120 -2,-0.5 3,-0.4 1,-0.2 4,-0.3 0.521 82.7 161.5 83.5 8.9 -27.0 2.3 19.2 46 43 A I + 0 0 24 -3,-0.4 -1,-0.2 1,-0.2 38,-0.0 -0.279 31.0 88.1 -64.8 147.0 -27.3 1.6 22.9 47 44 A S S S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.244 86.1 42.0 162.0 -71.1 -27.5 4.6 25.3 48 45 A F S S+ 0 0 149 -3,-0.4 -2,-0.1 1,-0.1 -3,-0.0 0.868 121.1 43.7 -65.7 -46.6 -31.1 5.8 25.8 49 46 A L S S+ 0 0 54 -4,-0.3 -1,-0.1 2,-0.0 -3,-0.1 0.842 87.1 106.2 -66.5 -40.6 -32.5 2.3 26.1 50 47 A R - 0 0 93 1,-0.1 2,-0.5 4,-0.0 4,-0.0 -0.122 47.9-162.6 -63.2 133.8 -29.9 0.5 28.3 51 48 A P > - 0 0 27 0, 0.0 4,-0.6 0, 0.0 5,-0.2 -0.956 12.2-165.6-115.5 130.8 -30.7 -0.3 31.9 52 49 A V T 4 S+ 0 0 94 -2,-0.5 4,-0.2 3,-0.1 -2,-0.0 0.883 94.3 34.5 -68.2 -38.3 -27.9 -1.2 34.3 53 50 A D T > S+ 0 0 109 2,-0.1 4,-1.1 3,-0.1 5,-0.1 0.937 125.0 35.0 -86.4 -54.4 -30.4 -2.6 36.8 54 51 A V H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.948 118.3 47.9 -71.5 -51.7 -33.1 -4.2 34.7 55 52 A Q H X S+ 0 0 10 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.703 102.8 66.7 -66.6 -20.3 -31.1 -5.5 31.8 56 53 A M H > S+ 0 0 92 -4,-0.2 4,-1.7 -5,-0.2 -1,-0.2 0.979 109.3 35.3 -59.5 -56.2 -28.6 -7.0 34.3 57 54 A R H X S+ 0 0 139 -4,-1.1 4,-1.0 -3,-0.3 -2,-0.2 0.814 112.7 61.4 -68.1 -33.0 -31.2 -9.5 35.6 58 55 A E H X S+ 0 0 64 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.888 111.6 38.4 -59.8 -40.7 -32.7 -9.8 32.1 59 56 A F H X S+ 0 0 21 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.769 109.8 61.5 -80.4 -28.2 -29.4 -11.2 30.9 60 57 A E H X S+ 0 0 105 -4,-1.7 4,-0.8 -5,-0.2 -2,-0.2 0.672 103.7 52.7 -69.7 -17.5 -28.9 -13.1 34.1 61 58 A V H X S+ 0 0 81 -4,-1.0 4,-0.9 -3,-0.2 -2,-0.2 0.931 108.7 45.2 -79.9 -52.1 -32.1 -15.0 33.2 62 59 A L H < S+ 0 0 49 -4,-1.3 11,-0.6 1,-0.2 -2,-0.2 0.721 105.7 68.0 -64.7 -22.7 -31.0 -16.1 29.7 63 60 A K H < S+ 0 0 70 -4,-1.3 10,-0.2 1,-0.2 -1,-0.2 0.986 105.0 34.3 -61.2 -63.0 -27.6 -17.1 31.1 64 61 A K H < S+ 0 0 171 -4,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.614 93.9 108.6 -75.3 -11.3 -28.6 -20.0 33.3 65 62 A L < + 0 0 19 -4,-0.9 8,-0.4 8,-0.1 2,-0.4 -0.526 50.6 176.6 -65.1 125.2 -31.3 -21.0 30.8 66 63 A N + 0 0 100 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.998 10.7 139.5-141.7 135.5 -30.1 -24.1 29.0 67 64 A H - 0 0 61 3,-0.5 3,-0.4 -2,-0.4 5,-0.1 -0.979 53.6-114.9-163.7 165.9 -31.5 -26.5 26.4 68 65 A K S S+ 0 0 105 -2,-0.3 57,-0.1 1,-0.2 -1,-0.1 0.760 116.4 44.8 -77.6 -26.5 -30.7 -28.5 23.3 69 66 A N S S+ 0 0 13 88,-0.1 89,-3.2 55,-0.1 2,-0.4 0.233 104.0 72.3-104.8 12.4 -33.0 -26.4 21.1 70 67 A I B S-g 158 0C 6 -3,-0.4 -3,-0.5 87,-0.3 89,-0.2 -0.991 85.6-113.0-132.8 128.4 -31.9 -23.0 22.4 71 68 A V - 0 0 14 87,-2.2 2,-0.4 -2,-0.4 -2,-0.1 -0.348 40.0-118.1 -60.7 128.2 -28.6 -21.2 21.7 72 69 A K - 0 0 36 -2,-0.1 18,-1.9 -5,-0.1 2,-0.7 -0.530 15.6-150.7 -79.4 125.3 -26.6 -20.9 24.9 73 70 A L E -E 89 0A 6 -11,-0.6 16,-0.2 -8,-0.4 3,-0.1 -0.853 16.5-178.8 -90.7 115.9 -25.7 -17.5 26.3 74 71 A F E - 0 0 78 14,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.879 52.8 -22.0 -87.7 -41.7 -22.5 -18.0 28.2 75 72 A A E -E 88 0A 33 13,-1.0 13,-2.7 2,-0.0 2,-0.5 -0.984 47.7-121.0-162.1 168.6 -21.7 -14.5 29.6 76 73 A I E +E 87 0A 64 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.969 39.5 166.0-122.7 115.0 -22.2 -10.8 29.5 77 74 A E E -E 86 0A 35 9,-3.1 9,-3.1 -2,-0.5 2,-0.4 -0.808 31.7-117.9-126.8 165.8 -19.1 -8.6 29.0 78 75 A E E -E 85 0A 68 -2,-0.3 -70,-0.6 7,-0.2 7,-0.2 -0.864 31.7-111.4-105.7 138.0 -18.1 -5.1 28.1 79 76 A E B > -F 7 0B 4 5,-2.0 4,-1.1 -2,-0.4 -72,-0.3 -0.357 34.5-114.1 -62.1 145.4 -16.1 -4.1 25.1 80 77 A T T 4 S+ 0 0 78 -74,-2.8 -73,-0.1 2,-0.1 -1,-0.1 0.884 101.2 12.9 -51.7 -53.1 -12.7 -2.8 26.0 81 78 A T T 4 S+ 0 0 108 -75,-0.3 -1,-0.1 1,-0.1 -74,-0.0 0.934 130.8 41.3 -92.8 -59.5 -13.0 0.9 24.9 82 79 A T T 4 S- 0 0 60 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 0.607 89.4-139.3 -70.7 -12.8 -16.6 1.7 24.2 83 80 A R < + 0 0 159 -4,-1.1 -3,-0.1 1,-0.2 -1,-0.1 0.711 42.5 166.6 57.0 22.5 -17.8 -0.2 27.3 84 81 A H - 0 0 54 1,-0.1 -5,-2.0 -6,-0.1 2,-0.4 -0.334 46.0 -99.3 -65.3 147.0 -20.7 -1.5 25.1 85 82 A K E - E 0 78A 39 -7,-0.2 -42,-1.5 -3,-0.1 2,-0.4 -0.560 45.8-171.4 -69.1 125.4 -22.8 -4.4 26.4 86 83 A V E -DE 42 77A 0 -9,-3.1 -9,-3.1 -2,-0.4 2,-0.4 -0.983 12.3-152.5-127.4 124.6 -21.5 -7.6 24.7 87 84 A L E -DE 41 76A 7 -46,-2.3 -46,-3.0 -2,-0.4 2,-0.8 -0.800 10.1-143.7 -95.3 134.1 -23.2 -11.0 24.9 88 85 A I E -DE 40 75A 3 -13,-2.7 -14,-2.7 -2,-0.4 -13,-1.0 -0.845 31.1-178.9 -98.8 104.6 -21.0 -14.1 24.5 89 86 A M E -DE 39 73A 25 -50,-3.8 -50,-3.0 -2,-0.8 2,-0.2 -0.663 34.6 -92.9-108.8 157.7 -23.1 -16.6 22.6 90 87 A E - 0 0 44 -18,-1.9 2,-0.3 -2,-0.2 -52,-0.1 -0.475 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47.8 -71.3 -41.2 -30.4 -24.2 4.5 101 98 A L H 3< S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.638 101.2 66.9 -76.3 -14.1 -33.4 -23.0 2.4 102 99 A E T 3< S+ 0 0 48 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.659 77.5 99.5 -80.3 -17.3 -31.1 -21.0 0.2 103 100 A E S X S- 0 0 64 -3,-0.9 3,-2.5 -4,-0.4 296,-0.0 -0.593 78.9-134.1 -70.6 126.7 -29.5 -24.2 -1.1 104 101 A P G > S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.695 103.5 69.1 -56.8 -23.2 -31.1 -25.0 -4.5 105 102 A S G 3 S+ 0 0 57 1,-0.3 3,-0.3 2,-0.1 -4,-0.1 0.761 104.2 43.2 -65.6 -25.9 -31.5 -28.6 -3.4 106 103 A N G X S+ 0 0 13 -3,-2.5 3,-1.4 -6,-0.2 -1,-0.3 0.068 80.0 111.3-105.8 21.3 -34.1 -27.3 -1.0 107 104 A A T < S+ 0 0 16 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.847 88.3 35.3 -63.1 -35.3 -35.7 -25.0 -3.6 108 105 A Y T 3 S- 0 0 46 1,-0.4 143,-0.4 -4,-0.3 92,-0.3 -0.035 134.9 -62.0-110.1 29.5 -38.9 -27.2 -3.6 109 106 A G < - 0 0 0 -3,-1.4 -1,-0.4 141,-0.1 89,-0.3 -0.115 60.7 -68.8 112.5 154.7 -38.8 -28.1 0.1 110 107 A L - 0 0 1 87,-3.5 141,-0.3 1,-0.1 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108.0 50.5 -70.3 -34.8 -20.1 -11.6 -7.2 545 570 A K H < S+ 0 0 84 -4,-1.5 -2,-0.2 -154,-0.2 -1,-0.2 0.873 106.2 56.0 -64.7 -40.5 -23.4 -10.2 -5.8 546 571 A A H < S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.872 103.2 53.2 -62.9 -40.0 -21.7 -9.6 -2.4 547 572 A E H < S- 0 0 134 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.881 93.0-148.3 -62.3 -40.8 -18.9 -7.4 -4.0 548 573 A R S < S+ 0 0 222 -4,-1.1 2,-0.3 -5,-0.1 -3,-0.1 0.355 74.2 41.3 84.2 -3.5 -21.6 -5.2 -5.6 549 574 A R - 0 0 174 -5,-0.3 2,-0.3 -158,-0.0 -2,-0.1 -0.972 68.9-150.2-159.5 161.6 -19.1 -4.7 -8.5 550 575 A L - 0 0 21 -2,-0.3 -6,-0.0 -3,-0.1 5,-0.0 -0.995 21.5-112.2-140.4 151.7 -16.6 -6.6 -10.6 551 576 A A > - 0 0 48 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.237 43.5 -98.1 -70.2 167.1 -13.4 -5.9 -12.4 552 577 A Y H > S+ 0 0 171 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.861 124.2 47.7 -57.7 -39.0 -13.3 -6.0 -16.2 553 578 A N H >> S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.978 113.9 43.5 -64.0 -58.9 -11.8 -9.5 -16.1 554 579 A E H 3> S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.724 108.1 64.0 -61.4 -22.8 -14.3 -11.0 -13.6 555 580 A E H 3X S+ 0 0 48 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.936 107.0 39.7 -65.9 -47.1 -17.1 -9.2 -15.5 556 581 A Q H X S+ 0 0 119 -4,-1.7 4,-1.7 2,-0.2 3,-0.6 0.940 109.5 49.5 -75.9 -49.9 -19.4 -16.5 -19.8 561 586 A D H 3X S+ 0 0 30 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.700 104.0 62.5 -65.5 -20.5 -20.3 -18.7 -16.8 562 587 A K H 3X S+ 0 0 18 -4,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.900 108.0 41.3 -69.8 -41.4 -23.9 -17.4 -17.0 563 588 A Q H S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 5,-1.2 0.880 112.7 52.6 -64.7 -38.6 -31.1 -36.1 -20.4 576 601 A F H <>S+ 0 0 12 -4,-2.6 5,-2.5 3,-0.2 4,-0.4 0.910 117.2 35.9 -64.1 -44.0 -33.8 -36.3 -17.8 577 602 A T H <>S+ 0 0 61 -4,-2.4 5,-1.6 3,-0.2 -2,-0.2 0.929 124.3 39.0 -78.6 -49.9 -36.7 -36.3 -20.2 578 603 A D H <5S+ 0 0 88 -4,-2.6 -3,-0.2 -5,-0.2 5,-0.2 0.891 131.0 22.8 -65.5 -43.4 -35.1 -38.3 -23.1 579 604 A E T X5S+ 0 0 55 -4,-1.9 4,-0.6 -5,-0.4 -3,-0.2 0.881 130.4 30.6 -97.6 -45.3 -33.3 -40.9 -21.0 580 605 A C H > S+ 0 0 3 -3,-0.5 4,-1.6 -4,-0.4 3,-0.4 0.463 96.7 66.8 -99.4 -4.5 -64.3 -89.1 -2.9 620 645 A S T 4 S+ 0 0 46 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.652 97.3 56.6 -81.5 -17.3 -64.8 -89.1 0.9 621 646 A K T 4 S+ 0 0 134 -4,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.349 116.6 33.2 -94.7 4.1 -68.5 -89.8 0.1 622 647 A Y T >> S+ 0 0 33 -3,-0.4 3,-1.7 2,-0.1 4,-0.6 0.635 98.8 71.5-128.2 -36.8 -67.7 -93.0 -1.9 623 648 A Q T 3< S+ 0 0 83 -4,-1.6 4,-0.2 1,-0.3 -3,-0.1 0.767 110.6 39.7 -64.0 -19.9 -64.5 -94.6 -0.4 624 649 A E T 3> S+ 0 0 105 -4,-0.3 4,-0.6 -5,-0.1 -1,-0.3 0.471 95.8 91.6 -96.8 -3.7 -66.8 -95.6 2.5 625 650 A Y T <4 S- 0 0 146 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.843 107.6 -1.8 -64.3 -43.2 -69.8 -96.5 0.3 626 651 A T T >< S+ 0 0 32 -4,-0.6 3,-0.9 -3,-0.1 -1,-0.2 0.483 122.6 70.0-126.6 -16.5 -69.4 -100.2 -0.4 627 652 A N T 34 S+ 0 0 101 -5,-0.3 -2,-0.1 1,-0.2 -3,-0.1 0.691 98.7 53.1 -77.4 -18.4 -66.1 -101.0 1.4 628 653 A E T 3< S+ 0 0 114 -4,-0.6 -1,-0.2 2,-0.0 -4,-0.1 0.017 80.4 156.5-104.2 26.6 -67.8 -100.6 4.7 629 654 A L < - 0 0 136 -3,-0.9 2,-0.3 1,-0.1 -3,-0.1 -0.154 35.9-125.3 -56.8 146.5 -70.7 -103.0 3.9 630 655 A Q + 0 0 158 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.730 41.5 133.5-106.0 145.0 -72.4 -104.5 7.0 631 656 A E 0 0 154 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.940 360.0 360.0-170.7 164.9 -73.1 -108.1 8.1 632 657 A T 0 0 178 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.507 360.0 360.0 -72.3 360.0 -72.9 -110.4 11.2