==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 04-APR-03 1UBE . COMPND 2 MOLECULE: RECA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR S.DATTA,R.KRISHNA,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA,M.VIJAYAN . 303 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 3 0 0 2 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 1 2 0 1 0 0 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 . 0 1 0 0 0 0 0 1 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 5 A A > 0 0 119 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -52.3 79.7 50.4 -22.0 2 6 A P H > + 0 0 89 0, 0.0 4,-4.7 0, 0.0 5,-0.4 0.920 360.0 73.3 -72.4 -46.0 77.0 47.8 -23.2 3 7 A D H 4 S+ 0 0 116 2,-0.2 4,-0.5 3,-0.2 5,-0.2 0.816 96.0 56.0 -36.8 -44.3 78.8 46.4 -26.2 4 8 A R H >> S+ 0 0 64 -3,-0.2 3,-2.4 1,-0.2 4,-1.4 0.969 121.8 23.3 -54.2 -84.0 81.1 44.5 -23.9 5 9 A E H 3X S+ 0 0 106 -4,-0.7 4,-2.2 1,-0.3 5,-0.3 0.805 112.7 71.6 -52.9 -32.6 78.4 42.7 -21.9 6 10 A K H 3< S+ 0 0 167 -4,-4.7 -1,-0.3 1,-0.2 -2,-0.2 0.633 109.1 36.4 -61.1 -9.2 76.0 42.9 -24.7 7 11 A A H <> S+ 0 0 53 -3,-2.4 4,-3.0 -4,-0.5 -1,-0.2 0.687 105.7 65.4-110.1 -31.7 78.2 40.4 -26.4 8 12 A L H X S+ 0 0 82 -4,-1.4 4,-4.3 1,-0.3 5,-0.3 0.928 107.5 45.0 -56.0 -46.6 79.2 38.3 -23.4 9 13 A E H X S+ 0 0 108 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.745 108.2 54.7 -70.5 -26.6 75.5 37.3 -23.2 10 14 A L H > S+ 0 0 57 -5,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.953 120.8 34.6 -69.2 -46.8 75.2 36.6 -26.9 11 15 A A H >X S+ 0 0 49 -4,-3.0 4,-2.2 2,-0.2 3,-1.1 0.999 118.1 49.0 -63.5 -69.4 78.1 34.3 -26.4 12 16 A M H 3X S+ 0 0 30 -4,-4.3 4,-1.4 1,-0.3 -3,-0.2 0.793 111.2 56.9 -40.9 -33.9 77.3 33.1 -23.0 13 17 A A H 3X S+ 0 0 45 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.3 0.908 106.2 44.3 -67.8 -48.5 73.9 32.5 -24.4 14 18 A Q H S+ 0 0 54 -4,-2.2 4,-2.5 2,-0.2 5,-0.5 0.964 102.7 44.7 -61.2 -50.3 77.2 28.4 -24.8 16 20 A D H X5S+ 0 0 57 -4,-1.4 4,-4.5 3,-0.2 -2,-0.2 0.968 112.5 52.6 -54.1 -56.7 74.1 27.1 -23.0 17 21 A K H <5S+ 0 0 166 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 116.2 38.0 -43.0 -61.3 72.4 26.2 -26.2 18 22 A N H <5S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 137.5 14.9 -66.5 -29.5 75.4 24.2 -27.5 19 23 A F H <5S- 0 0 164 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.655 110.2 -91.9-123.2 -21.8 76.3 22.6 -24.2 20 24 A G << - 0 0 26 -4,-4.5 -1,-0.3 -5,-0.5 4,-0.1 -0.996 45.7 -57.3 150.0-153.1 73.6 23.0 -21.6 21 25 A K S > S+ 0 0 87 -2,-0.3 2,-1.2 206,-0.1 3,-0.8 0.858 119.8 31.3 -96.5 -78.1 72.2 25.2 -18.8 22 26 A G T 3 S+ 0 0 11 205,-0.9 3,-0.3 1,-0.2 207,-0.1 -0.076 83.4 114.2 -78.1 38.9 74.8 25.7 -16.0 23 27 A S T 3 S+ 0 0 39 -2,-1.2 2,-0.4 1,-0.3 -1,-0.2 0.882 87.7 19.9 -74.1 -38.4 77.7 25.5 -18.5 24 28 A V S < S+ 0 0 53 -3,-0.8 -1,-0.3 -12,-0.1 2,-0.2 -0.919 83.7 172.0-136.8 108.0 78.6 29.2 -17.8 25 29 A M - 0 0 53 -2,-0.4 2,-0.6 -3,-0.3 -3,-0.0 -0.668 36.8-129.0-118.1 171.6 77.4 31.0 -14.7 26 30 A R > - 0 0 100 -2,-0.2 3,-3.8 1,-0.1 -2,-0.0 -0.964 23.7-142.2-112.0 106.1 77.6 34.1 -12.6 27 31 A L T 3 S+ 0 0 94 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.640 102.3 57.0 -48.8 -6.8 78.4 33.1 -9.1 28 32 A G T 3 S+ 0 0 72 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.501 79.8 113.8-104.5 -2.6 76.1 35.9 -8.2 29 33 A E < - 0 0 69 -3,-3.8 -4,-0.0 1,-0.1 0, 0.0 -0.421 49.7-161.5 -73.8 144.9 72.9 34.9 -10.1 30 34 A E + 0 0 184 -2,-0.1 -1,-0.1 199,-0.1 -3,-0.0 0.400 48.8 160.1 -94.3 -4.7 69.7 34.0 -8.3 31 35 A V + 0 0 66 2,-0.0 -2,-0.0 198,-0.0 0, 0.0 0.466 31.0 1.0 -21.7 146.4 68.8 32.4 -11.7 32 36 A R - 0 0 113 1,-0.1 196,-0.0 197,-0.1 197,-0.0 0.108 49.5-153.0 63.9-175.1 66.3 29.7 -12.6 33 37 A Q - 0 0 120 3,-0.0 2,-0.2 18,-0.0 -1,-0.1 -0.103 10.0-159.9 164.9 87.6 63.8 27.9 -10.3 34 38 A P - 0 0 34 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.511 20.3-135.9 -82.9 152.8 62.6 24.3 -11.2 35 39 A I S S+ 0 0 175 -2,-0.2 2,-0.4 1,-0.0 0, 0.0 0.033 86.6 75.4 -93.2 24.5 59.4 22.8 -9.8 36 40 A S + 0 0 40 17,-0.1 20,-0.5 20,-0.1 2,-0.3 -0.981 56.9 123.6-139.4 122.3 61.1 19.5 -9.1 37 41 A V - 0 0 45 -2,-0.4 16,-0.1 18,-0.2 17,-0.1 -0.922 47.9-129.4-173.4 149.6 63.5 19.1 -6.2 38 42 A I B -A 54 0A 4 16,-1.5 16,-2.2 -2,-0.3 39,-0.1 -0.958 25.3-129.7-116.4 119.6 63.8 16.9 -3.1 39 43 A P - 0 0 58 0, 0.0 42,-0.2 0, 0.0 15,-0.2 -0.026 10.6-151.3 -53.1 168.0 64.3 18.5 0.3 40 44 A T - 0 0 0 40,-0.1 37,-0.3 13,-0.1 36,-0.2 0.274 42.4-103.1-128.0 7.3 67.2 17.1 2.2 41 45 A G S S+ 0 0 28 35,-0.1 2,-0.4 36,-0.1 3,-0.1 0.526 100.9 92.0 83.8 2.7 66.0 17.7 5.7 42 46 A S >> - 0 0 0 1,-0.1 4,-2.6 31,-0.1 3,-0.7 -0.848 52.5-171.2-134.6 98.9 68.4 20.7 6.0 43 47 A I H 3> S+ 0 0 25 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.877 93.8 60.9 -52.8 -34.5 66.9 24.1 5.1 44 48 A S H 34 S+ 0 0 17 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.911 109.7 37.9 -58.6 -45.8 70.5 25.2 5.5 45 49 A L H <> S+ 0 0 2 -3,-0.7 4,-2.1 2,-0.2 8,-0.3 0.786 110.3 61.3 -79.7 -28.2 71.7 22.8 2.7 46 50 A D H X>S+ 0 0 14 -4,-2.6 6,-1.7 1,-0.2 7,-0.8 0.929 107.3 43.0 -65.5 -43.5 68.6 23.4 0.5 47 51 A V H <5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.629 112.6 56.9 -74.4 -14.0 69.3 27.1 0.1 48 52 A A H 45S+ 0 0 6 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.815 100.2 55.4 -82.5 -35.5 72.9 26.0 -0.4 49 53 A L H <5S- 0 0 2 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.700 106.9-134.4 -70.2 -16.6 71.9 23.8 -3.2 50 54 A G T <5S+ 0 0 37 -4,-0.6 -3,-0.2 -5,-0.1 -1,-0.1 0.415 94.1 59.6 79.4 -1.1 70.3 26.9 -4.8 51 55 A I S - 0 0 5 0, 0.0 3,-0.7 0, 0.0 2,-0.3 -0.297 28.7-125.3 -59.5 136.6 67.5 18.3 -8.5 56 60 A R T 3 S+ 0 0 66 -20,-0.5 122,-0.2 1,-0.2 3,-0.1 -0.671 91.2 29.1 -88.6 139.6 65.5 15.4 -9.8 57 61 A G T 3 S+ 0 0 6 1,-0.4 -1,-0.2 -2,-0.3 121,-0.2 0.217 100.4 100.7 101.3 -15.7 66.8 13.6 -12.9 58 62 A R S < S- 0 0 68 -3,-0.7 122,-2.4 119,-0.2 2,-0.5 -0.460 75.1-113.4 -96.1 170.2 70.4 14.4 -12.2 59 63 A V E -b 180 0B 2 136,-0.4 138,-2.4 120,-0.2 139,-1.1 -0.885 32.2-156.7-104.6 134.2 73.1 12.2 -10.6 60 64 A I E -bc 181 198B 0 120,-4.4 122,-2.0 -2,-0.5 2,-0.4 -0.945 8.3-162.6-119.1 139.0 74.4 13.3 -7.2 61 65 A E E -bc 182 199B 8 137,-2.2 139,-3.5 -2,-0.4 2,-0.5 -0.971 6.6-178.4-118.4 129.7 77.7 12.6 -5.5 62 66 A I E +bc 183 200B 1 120,-2.1 122,-1.5 -2,-0.4 2,-0.2 -0.943 15.8 172.1-129.2 107.4 78.1 13.0 -1.8 63 67 A Y E + c 0 201B 35 137,-2.7 139,-3.4 -2,-0.5 122,-0.2 -0.730 10.0 122.6-118.5 166.8 81.6 12.3 -0.6 64 68 A G - 0 0 1 -2,-0.2 139,-0.1 120,-0.2 4,-0.1 -0.754 60.7 -59.8 157.0 157.9 83.6 12.6 2.7 65 69 A P S > S- 0 0 67 0, 0.0 3,-0.5 0, 0.0 139,-0.1 -0.182 77.7 -77.2 -53.8 148.8 85.6 10.8 5.4 66 70 A E T 3 S+ 0 0 152 1,-0.2 119,-0.0 2,-0.1 -3,-0.0 0.125 111.4 21.8 -48.2 166.3 83.6 8.1 7.1 67 71 A S T 3 S+ 0 0 100 1,-0.1 -1,-0.2 -3,-0.1 136,-0.0 0.751 87.0 115.6 42.8 40.1 81.0 8.8 9.7 68 72 A S S < S- 0 0 4 -3,-0.5 152,-0.1 -4,-0.1 -1,-0.1 0.310 89.9 -87.4-115.5 6.8 80.5 12.4 8.6 69 73 A G S > S+ 0 0 10 -5,-0.1 4,-2.4 150,-0.1 3,-0.3 0.224 81.2 126.4 114.1 -18.7 76.8 12.3 7.4 70 74 A K H >> S+ 0 0 12 1,-0.3 4,-2.1 2,-0.2 3,-0.7 0.894 85.2 37.2 -38.8 -72.1 76.6 11.3 3.8 71 75 A T H 3> S+ 0 0 50 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.825 112.4 60.7 -53.8 -34.6 74.1 8.5 4.1 72 76 A T H 3> S+ 0 0 11 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.935 107.6 44.7 -59.7 -42.8 72.2 10.4 6.8 73 77 A V H < S+ 0 0 21 -4,-1.6 3,-1.1 -5,-0.2 -1,-0.3 0.838 102.4 53.4 -97.0 -43.8 59.0 8.9 -0.2 83 87 A A H 3< S+ 0 0 94 -4,-2.0 -2,-0.2 -3,-0.4 -3,-0.1 0.710 105.9 63.0 -63.3 -15.6 56.6 10.8 2.0 84 88 A A T 3< S- 0 0 77 -4,-1.3 2,-1.6 2,-0.2 -1,-0.3 -0.229 123.6 -95.9-104.5 42.8 55.7 12.5 -1.2 85 89 A G S < S+ 0 0 66 -3,-1.1 -3,-0.1 1,-0.1 -4,-0.1 -0.403 91.4 102.4 85.9 -63.6 54.3 9.5 -3.1 86 90 A G - 0 0 15 -2,-1.6 2,-0.3 -5,-0.2 -2,-0.2 -0.079 65.0-127.7 -55.6 158.6 57.3 8.3 -5.1 87 91 A I E -d 136 0B 79 48,-0.7 50,-2.4 -3,-0.1 51,-0.7 -0.781 14.3-139.1-111.2 155.5 59.3 5.3 -4.0 88 92 A A E -d 138 0B 2 23,-0.3 25,-1.8 -2,-0.3 2,-0.4 -0.852 3.8-152.3-116.4 150.4 63.0 4.9 -3.5 89 93 A A E -de 139 113B 1 49,-1.8 51,-2.3 -2,-0.3 2,-0.5 -0.950 4.8-161.7-121.1 140.1 65.5 2.1 -4.3 90 94 A F E -de 140 114B 7 23,-3.6 25,-2.0 -2,-0.4 2,-1.1 -0.959 5.7-156.7-126.0 108.0 68.7 1.4 -2.3 91 95 A I E -de 141 115B 1 49,-2.5 51,-1.6 -2,-0.5 2,-0.2 -0.747 20.0-153.2 -89.0 98.5 71.4 -0.7 -4.0 92 96 A D + 0 0 6 23,-2.0 51,-0.1 -2,-1.1 49,-0.0 -0.454 39.2 144.7 -75.9 138.3 73.4 -2.1 -1.1 93 97 A A S S+ 0 0 26 49,-0.3 -1,-0.1 -2,-0.2 50,-0.1 0.362 75.5 54.5-144.8 -15.0 77.1 -3.0 -1.5 94 98 A E S S- 0 0 78 48,-0.2 -2,-0.1 53,-0.0 49,-0.1 0.734 89.6-144.1 -92.7 -30.4 78.4 -2.0 1.9 95 99 A H + 0 0 119 47,-0.1 2,-0.1 1,-0.1 21,-0.0 0.914 62.7 115.9 65.7 44.8 75.9 -4.1 3.8 96 100 A A + 0 0 77 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.515 28.7 132.4-145.9 74.8 75.7 -1.6 6.6 97 101 A L - 0 0 53 -2,-0.1 -5,-0.0 -3,-0.0 0, 0.0 -0.881 38.2-155.5-120.1 148.9 72.2 -0.1 6.8 98 102 A D >> - 0 0 76 -2,-0.3 4,-2.8 1,-0.1 3,-0.8 -0.934 3.6-168.7-128.3 105.5 70.2 0.2 10.1 99 103 A P H 3> S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.863 85.8 63.3 -63.5 -33.9 66.5 0.3 9.4 100 104 A E H 3> S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.821 114.1 37.8 -59.0 -28.9 65.7 1.4 12.9 101 105 A Y H <> S+ 0 0 46 -3,-0.8 4,-2.5 2,-0.2 5,-0.3 0.929 111.5 53.1 -84.7 -58.1 67.6 4.5 12.1 102 106 A A H X>S+ 0 0 1 -4,-2.8 5,-2.3 1,-0.2 4,-1.1 0.855 113.7 52.0 -45.9 -32.1 66.6 5.0 8.5 103 107 A K H <5S+ 0 0 40 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.952 103.0 51.4 -72.1 -54.5 63.2 4.8 10.1 104 108 A K H <5S+ 0 0 147 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.930 107.5 56.6 -49.0 -47.4 63.5 7.4 12.8 105 109 A L H <5S- 0 0 20 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.896 132.6 -93.3 -50.7 -43.0 64.7 9.7 10.1 106 110 A G T <5S+ 0 0 40 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.518 73.5 144.8 137.2 18.8 61.5 9.1 8.3 107 111 A V < - 0 0 8 -5,-2.3 2,-1.4 -6,-0.2 -1,-0.2 -0.649 46.2-140.2 -87.9 139.7 62.0 6.2 5.8 108 112 A D > + 0 0 85 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 -0.660 30.7 175.7 -95.6 74.6 59.1 3.8 5.2 109 113 A T G > + 0 0 37 -2,-1.4 3,-3.9 1,-0.3 -1,-0.2 0.876 67.5 68.4 -47.4 -51.4 61.5 0.8 5.1 110 114 A D G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.637 111.5 38.1 -48.6 -14.0 58.8 -1.8 4.8 111 115 A S G < S+ 0 0 46 -3,-2.1 2,-0.5 2,-0.0 -1,-0.3 -0.074 92.7 113.2-127.8 33.2 58.3 -0.3 1.4 112 116 A L < - 0 0 22 -3,-3.9 2,-0.9 -25,-0.1 -23,-0.2 -0.915 64.7-130.3-109.2 133.1 61.9 0.4 0.5 113 117 A L E -e 89 0B 88 -25,-1.8 -23,-3.6 -2,-0.5 2,-0.4 -0.721 30.1-178.2 -86.0 105.6 63.6 -1.5 -2.3 114 118 A V E -e 90 0B 72 -2,-0.9 2,-0.4 -25,-0.2 -23,-0.2 -0.820 6.5-172.1-105.4 140.0 66.9 -2.9 -1.2 115 119 A S E -e 91 0B 27 -25,-2.0 -23,-2.0 -2,-0.4 -2,-0.0 -0.997 12.9-162.9-132.7 129.1 69.3 -4.8 -3.4 116 120 A Q - 0 0 120 -2,-0.4 -23,-0.1 -25,-0.2 -25,-0.1 -0.566 24.0-164.6-112.2 69.6 72.4 -6.6 -2.3 117 121 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.235 18.2-148.7 -44.0 168.3 74.4 -7.2 -5.6 118 122 A D S S+ 0 0 119 1,-0.3 2,-0.3 29,-0.0 30,-0.1 0.715 80.9 36.0-111.8 -46.6 77.3 -9.5 -6.0 119 123 A T S > S- 0 0 18 1,-0.1 4,-1.4 28,-0.1 -1,-0.3 -0.731 78.4-126.3-106.2 159.7 79.4 -7.8 -8.7 120 124 A G H > S+ 0 0 3 28,-3.7 4,-1.3 -2,-0.3 -1,-0.1 0.746 116.5 52.7 -74.3 -18.2 79.8 -4.1 -8.9 121 125 A E H > S+ 0 0 73 27,-0.5 4,-1.2 2,-0.2 3,-0.3 0.941 104.3 50.1 -78.3 -52.7 78.7 -4.7 -12.4 122 126 A Q H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.832 109.1 58.5 -54.0 -33.9 75.6 -6.6 -11.6 123 127 A A H X S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.921 100.8 51.0 -65.3 -46.9 74.9 -3.7 -9.3 124 128 A L H < S+ 0 0 7 -4,-1.3 4,-0.4 -3,-0.3 -1,-0.2 0.707 112.6 47.2 -67.2 -21.6 74.9 -1.0 -11.9 125 129 A E H X>S+ 0 0 64 -4,-1.2 4,-1.7 2,-0.2 5,-0.6 0.894 108.5 51.7 -82.7 -47.6 72.4 -2.9 -14.1 126 130 A I H <5S+ 0 0 54 -4,-2.2 4,-0.4 1,-0.3 -2,-0.2 0.846 116.3 44.7 -55.1 -31.6 70.0 -3.7 -11.3 127 131 A A T X5S+ 0 0 1 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.3 0.730 116.5 48.2 -82.3 -26.4 70.3 0.0 -10.7 128 132 A D H >>5S+ 0 0 2 -4,-0.4 4,-1.9 2,-0.2 3,-1.2 0.956 113.9 38.8 -78.4 -77.3 69.9 0.6 -14.4 129 133 A M H 3X5S+ 0 0 119 -4,-1.7 4,-0.8 1,-0.3 -3,-0.2 0.730 116.0 58.1 -47.1 -19.5 67.0 -1.5 -15.5 130 134 A L H >4 S+ 0 0 0 39,-3.5 3,-0.6 1,-0.2 40,-0.2 0.753 101.9 56.4 -64.4 -24.0 81.1 4.1 -5.2 145 149 A A T 3 S+ 0 0 29 38,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.833 94.9 60.2 -78.7 -37.0 84.1 2.4 -3.7 146 150 A A T 3 S+ 0 0 31 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.058 77.1 104.1 -84.0 31.0 82.5 -1.0 -2.8 147 151 A L < + 0 0 0 -3,-0.6 -1,-0.2 -27,-0.1 -27,-0.1 -0.443 49.7 176.9-109.3 61.0 81.6 -1.7 -6.4 148 152 A V - 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0 0 19 -8,-1.1 4,-1.8 -2,-0.6 -8,-0.3 -0.338 25.7-167.6 -58.8 103.3 68.1 18.6 13.8 247 272 A R H >> S+ 0 0 82 -2,-0.6 3,-1.5 2,-0.2 4,-1.2 0.991 86.4 44.4 -50.3 -73.5 65.4 20.5 12.0 248 273 A E H >> S+ 0 0 36 1,-0.3 3,-2.7 2,-0.2 4,-1.9 0.885 111.3 51.9 -37.1 -65.6 64.9 23.0 14.7 249 274 A G H 3> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.824 105.6 57.1 -45.4 -35.3 68.6 23.6 15.3 250 275 A S H X S+ 0 0 29 -4,-1.6 4,-2.3 1,-0.3 3,-2.2 0.934 122.4 38.6 -43.9 -70.0 71.0 29.1 13.0 254 279 A M H 3< S+ 0 0 13 -4,-2.0 -1,-0.3 1,-0.3 6,-0.3 0.845 114.6 60.5 -51.9 -32.5 69.2 30.0 9.7 255 280 A G H 3<>S+ 0 0 1 -4,-3.6 6,-1.1 1,-0.2 5,-0.6 0.628 112.7 32.6 -73.4 -14.0 66.9 32.0 11.9 256 281 A V H X<5S+ 0 0 54 -3,-2.2 3,-0.9 -4,-1.1 -1,-0.2 0.646 106.9 65.8-113.0 -24.4 69.5 34.3 13.4 257 282 A E T 3<5S+ 0 0 149 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.1 0.347 115.3 36.6 -78.6 6.4 71.8 34.6 10.4 258 283 A H T 3 5S- 0 0 67 -5,-0.2 -1,-0.3 3,-0.1 -2,-0.2 0.161 118.3-117.9-135.5 3.6 68.8 36.3 8.8 259 284 A G T < 5S+ 0 0 44 -3,-0.9 -3,-0.2 2,-0.2 -4,-0.1 0.442 79.9 121.1 72.0 4.4 67.7 38.0 12.0 260 285 A F S S- K 0 273C 2 3,-2.8 3,-0.9 -2,-0.4 -9,-0.2 -0.879 74.9 -51.1-104.9 99.6 61.8 35.3 18.5 271 296 A E T 3 S- 0 0 121 -2,-0.8 2,-1.5 -11,-0.3 -1,-0.2 0.861 123.6 -20.0 31.3 91.1 60.7 38.9 18.1 272 297 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 1,-0.0 2,-0.2 -0.567 125.2 75.5 90.7 -73.9 59.7 39.9 21.6 273 298 A E E < S-K 270 0C 84 -2,-1.5 -3,-2.8 -3,-0.9 2,-0.1 -0.485 78.2-122.8 -80.9 144.3 59.2 36.6 23.2 274 299 A Q E -K 269 0C 117 -5,-0.3 -5,-0.3 -2,-0.2 3,-0.1 -0.367 15.4-166.9 -80.6 159.0 62.1 34.3 24.2 275 300 A L E - 0 0 13 -7,-3.3 2,-0.3 1,-0.5 -6,-0.2 0.701 61.4 -66.9-110.3 -49.4 62.7 30.7 23.1 276 301 A G E -K 268 0C 4 -8,-1.5 -8,-1.5 8,-0.1 2,-0.5 -0.977 44.0 -87.4 176.0-176.6 65.3 29.7 25.6 277 302 A Q E S+K 267 0C 107 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.1 -0.949 95.5 28.8-121.4 109.6 68.9 30.3 26.9 278 303 A G S >> S- 0 0 32 -12,-1.8 3,-3.0 -2,-0.5 4,-1.8 0.357 89.1-103.1 108.4 116.3 71.5 28.1 25.1 279 304 A K H 3> S+ 0 0 75 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.781 123.0 51.7 -36.4 -42.9 71.1 26.9 21.5 280 305 A E H 3> S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.782 109.6 50.4 -71.1 -24.4 70.1 23.4 22.7 281 306 A N H <> S+ 0 0 64 -3,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.900 112.2 44.8 -78.1 -43.2 67.5 24.9 25.0 282 307 A A H X S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.3 5,-0.2 0.854 109.8 57.3 -66.6 -35.2 65.9 27.0 22.3 283 308 A R H X S+ 0 0 2 -4,-2.1 4,-3.2 -5,-0.4 -2,-0.2 0.992 106.2 50.1 -54.5 -57.2 66.2 24.0 20.1 284 309 A K H X S+ 0 0 101 -4,-2.0 4,-2.3 1,-0.2 -2,-0.3 0.896 108.8 51.1 -44.4 -53.5 64.1 22.3 22.8 285 310 A F H X S+ 0 0 62 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.953 113.6 43.9 -51.9 -55.4 61.6 25.1 22.7 286 311 A L H >< S+ 0 0 4 -4,-3.3 3,-0.5 1,-0.2 -1,-0.3 0.840 108.5 61.3 -58.5 -35.5 61.3 24.8 18.9 287 312 A L H 3< S+ 0 0 77 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.964 113.9 31.9 -55.0 -58.0 61.2 21.0 19.3 288 313 A E H 3< S+ 0 0 154 -4,-2.3 2,-0.5 1,-0.2 -1,-0.2 0.371 113.8 67.7 -84.1 4.1 58.0 21.0 21.4 289 314 A N S+ 0 0 73 -2,-0.5 4,-3.7 2,-0.2 5,-0.3 0.911 71.7 59.1 -70.8 -43.4 55.8 23.3 16.0 291 316 A D H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.961 112.6 36.5 -48.0 -69.2 53.5 26.3 15.4 292 317 A V H >> S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.935 117.8 57.3 -50.5 -47.7 56.2 28.9 16.2 293 318 A A H >X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.3 3,-0.5 0.941 103.6 48.2 -45.6 -67.5 58.7 26.6 14.5 294 319 A N H 3X S+ 0 0 62 -4,-3.7 4,-2.7 1,-0.3 -1,-0.3 0.725 108.2 60.3 -50.2 -24.1 56.9 26.3 11.2 295 320 A E H