==== 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 TRANSCRIPTION 01-MAR-05 1Z05 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, ROK FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR ELTOR; . AUTHOR G.MINASOV,J.S.BRUNZELLE,L.SHUVALOVA,F.R.COLLART,W.F.ANDERSON . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 0 1 2 2 0 0 2 2 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 5 1 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 10 A D > 0 0 164 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -76.0 -9.8 19.0 34.6 2 11 A H H > + 0 0 126 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.685 360.0 68.8 -66.2 -20.4 -9.1 15.6 32.9 3 12 A I H > S+ 0 0 136 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.993 109.9 27.1 -58.9 -69.1 -12.4 16.1 31.1 4 13 A K H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.878 115.2 67.3 -63.5 -41.5 -11.3 19.0 28.8 5 14 A Q H X S+ 0 0 37 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.892 99.8 46.6 -47.5 -56.9 -7.7 18.0 28.9 6 15 A I H X S+ 0 0 65 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.909 115.8 44.3 -57.0 -47.6 -8.1 14.8 26.9 7 16 A N H X S+ 0 0 48 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.879 110.6 54.6 -68.9 -38.1 -10.3 16.3 24.2 8 17 A A H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.917 110.8 46.8 -60.0 -44.0 -8.1 19.3 23.8 9 18 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 377,-0.3 -2,-0.2 0.915 110.8 51.4 -63.6 -44.7 -5.1 17.0 23.3 10 19 A R H X S+ 0 0 95 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.917 114.0 44.1 -57.5 -46.1 -7.0 14.9 20.7 11 20 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 113.2 50.6 -66.2 -45.1 -8.0 18.0 18.7 12 21 A Y H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.883 108.6 52.2 -61.3 -41.3 -4.5 19.6 18.9 13 22 A K H X S+ 0 0 82 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.900 108.9 50.5 -61.5 -42.4 -2.9 16.3 17.7 14 23 A L H X S+ 0 0 22 -4,-1.7 4,-2.5 -5,-0.2 5,-0.4 0.935 113.1 45.6 -59.3 -46.9 -5.3 16.2 14.7 15 24 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 3,-0.2 55,-0.4 0.904 113.2 50.3 -62.4 -43.1 -4.4 19.9 13.9 16 25 A D H < S+ 0 0 36 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.913 121.9 32.0 -62.2 -43.9 -0.7 19.3 14.3 17 26 A Q H < S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.719 134.7 24.3 -89.1 -23.3 -0.6 16.2 12.1 18 27 A K H < S+ 0 0 101 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.490 90.6 160.2-124.9 -8.3 -3.4 17.1 9.6 19 28 A G < + 0 0 25 -4,-2.1 50,-0.2 -5,-0.4 2,-0.1 -0.232 50.6 67.8 -61.9 153.5 -3.7 20.9 9.5 20 29 A P S S+ 0 0 76 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.402 84.8 154.7 -66.1 132.2 -4.7 23.1 7.7 21 30 A I B -A 68 0A 12 47,-1.1 47,-2.2 -2,-0.1 -2,-0.1 -0.997 40.3-123.3-140.7 138.7 -8.0 21.4 8.7 22 31 A S > - 0 0 45 -2,-0.4 4,-2.2 45,-0.2 5,-0.2 -0.363 24.5-118.3 -78.0 159.6 -11.6 22.6 9.0 23 32 A R H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.863 116.9 54.4 -64.3 -36.5 -13.7 22.4 12.1 24 33 A I H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 108.9 47.9 -63.8 -43.0 -16.1 20.1 10.3 25 34 A D H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.864 111.5 50.7 -62.3 -39.5 -13.2 17.7 9.5 26 35 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.4 0.891 109.4 51.6 -64.2 -39.7 -12.0 17.9 13.1 27 36 A S H X>S+ 0 0 17 -4,-2.4 4,-1.2 2,-0.2 5,-0.7 0.917 113.3 44.1 -62.4 -43.7 -15.6 17.1 14.2 28 37 A K H <5S+ 0 0 143 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.927 117.8 43.6 -67.2 -46.4 -15.7 14.0 11.9 29 38 A E H <5S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.904 120.9 38.4 -67.0 -44.6 -12.2 12.7 12.8 30 39 A S H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.644 100.5-130.6 -80.6 -17.2 -12.4 13.2 16.6 31 40 A E T <5 + 0 0 170 -4,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.754 62.2 137.1 64.1 29.3 -16.1 12.1 16.8 32 41 A L < - 0 0 26 -5,-0.7 -1,-0.3 -6,-0.4 -2,-0.1 -0.850 59.3-106.8-105.7 143.9 -16.8 15.3 18.8 33 42 A A >> - 0 0 54 -2,-0.4 4,-2.4 1,-0.1 3,-0.8 -0.275 30.4-112.2 -63.4 148.0 -19.9 17.5 18.3 34 43 A P H 3> S+ 0 0 79 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.846 118.0 58.5 -50.3 -39.8 -19.4 21.0 16.7 35 44 A A H 3> S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.881 109.5 43.7 -56.4 -41.6 -20.2 22.7 20.0 36 45 A S H <> S+ 0 0 40 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.905 112.9 51.3 -70.9 -44.0 -17.3 20.8 21.6 37 46 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.922 110.3 50.9 -57.9 -44.5 -15.0 21.5 18.7 38 47 A T H X S+ 0 0 78 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.939 111.4 46.0 -58.9 -50.6 -15.9 25.2 18.9 39 48 A K H X S+ 0 0 145 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.903 115.9 45.9 -60.3 -45.2 -15.2 25.4 22.7 40 49 A I H X S+ 0 0 23 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.944 115.2 44.8 -64.3 -51.1 -11.8 23.5 22.4 41 50 A T H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.863 109.8 56.5 -63.8 -36.4 -10.6 25.5 19.3 42 51 A R H X S+ 0 0 106 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.925 109.0 45.4 -62.0 -46.0 -11.6 28.8 20.9 43 52 A E H X S+ 0 0 65 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.907 115.6 47.8 -61.0 -41.9 -9.5 28.2 24.0 44 53 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 6,-1.0 0.886 112.9 47.8 -69.4 -38.1 -6.6 27.0 21.8 45 54 A I H ><5S+ 0 0 26 -4,-3.1 3,-2.0 3,-0.2 -2,-0.2 0.948 111.1 49.8 -63.2 -49.8 -6.9 30.1 19.5 46 55 A D H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.3 51.3 -62.4 -28.6 -7.1 32.6 22.4 47 56 A A T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.474 113.0-124.6 -82.5 -5.3 -4.0 30.9 23.9 48 57 A H T < 5S+ 0 0 109 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.791 77.2 122.6 62.4 32.1 -2.3 31.3 20.5 49 58 A L S - 0 0 44 -2,-0.7 4,-2.7 11,-0.2 5,-0.1 -0.239 23.7-106.5 -71.3 164.8 -11.1 33.2 9.2 55 64 A V H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.911 122.3 51.8 -56.5 -45.2 -13.6 34.1 6.5 56 65 A Q H > S+ 0 0 161 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 112.2 45.0 -60.6 -43.5 -13.8 37.7 7.8 57 66 A E H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 6,-0.2 0.899 111.9 54.1 -64.0 -44.1 -9.9 38.0 7.7 58 67 A A H X>S+ 0 0 13 -4,-2.7 5,-1.5 2,-0.2 4,-0.8 0.902 115.1 37.6 -57.4 -49.2 -9.9 36.4 4.2 59 68 A I H <5S+ 0 0 135 -4,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.923 117.1 52.4 -68.6 -46.8 -12.4 38.9 2.7 60 69 A S H <5S+ 0 0 98 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.911 122.4 28.1 -55.8 -47.7 -11.0 41.8 4.7 61 70 A R H <5S- 0 0 131 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.380 106.6-116.6-105.2 3.4 -7.4 41.3 3.6 62 71 A G T <5S+ 0 0 70 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.862 73.4 114.9 66.0 40.2 -7.9 39.6 0.2 63 72 A R S + 0 0 31 -2,-0.7 3,-2.0 2,-0.1 22,-0.5 0.741 35.1 104.9 -71.9 -28.4 4.5 26.8 17.0 73 82 A L T 3 S+ 0 0 160 1,-0.3 3,-0.1 -3,-0.2 20,-0.0 -0.412 88.3 19.6 -67.4 121.8 6.6 29.9 16.1 74 83 A G T 3 S+ 0 0 16 1,-0.4 61,-2.3 -2,-0.2 2,-0.4 0.018 101.8 105.7 107.0 -23.9 7.4 31.8 19.3 75 84 A W E < +c 135 0C 25 -3,-2.0 19,-2.3 59,-0.1 -1,-0.4 -0.744 44.3 164.3 -93.5 139.6 6.8 28.8 21.6 76 85 A Q E -cD 136 93C 15 59,-3.0 61,-3.0 -2,-0.4 62,-0.3 -0.845 19.6-161.2-142.0 170.5 9.7 27.0 23.1 77 86 A F E - D 0 92C 1 15,-2.1 15,-3.0 -2,-0.3 2,-0.4 -0.971 22.1-119.5-150.5 159.0 10.7 24.6 25.9 78 87 A L E -cD 139 91C 0 60,-2.3 62,-2.8 -2,-0.3 2,-0.4 -0.834 22.7-168.2 -95.8 138.2 13.9 23.6 27.7 79 88 A S E -cD 140 90C 0 11,-2.5 11,-2.5 -2,-0.4 2,-0.3 -1.000 11.1-174.5-126.3 129.4 15.1 20.0 27.5 80 89 A M E -cD 141 89C 0 60,-3.0 62,-2.2 -2,-0.4 2,-0.4 -0.901 16.5-157.3-123.1 149.3 17.8 18.9 29.9 81 90 A R E -cD 142 88C 26 7,-2.0 7,-2.8 -2,-0.3 2,-0.9 -0.993 6.5-156.9-122.8 126.8 20.0 15.8 30.4 82 91 A L E + D 0 87C 4 60,-2.1 5,-0.2 -2,-0.4 2,-0.1 -0.884 32.9 172.1 -93.0 100.6 21.6 15.0 33.7 83 92 A G E > - D 0 86C 0 3,-1.9 2,-1.1 -2,-0.9 3,-0.9 -0.351 46.4 -61.9-100.5-175.5 24.4 12.7 32.5 84 93 A R T 3 S- 0 0 75 1,-0.3 75,-0.1 -2,-0.1 3,-0.1 -0.565 121.6 -15.0 -75.1 97.4 27.4 11.2 34.3 85 94 A G T 3 S+ 0 0 14 -2,-1.1 21,-2.9 1,-0.2 2,-0.3 0.560 127.9 72.6 85.8 11.0 29.4 14.2 35.4 86 95 A Y E < -DE 83 105C 45 -3,-0.9 -3,-1.9 19,-0.3 2,-0.4 -0.982 59.9-145.4-150.5 164.2 27.6 16.7 33.2 87 96 A L E -DE 82 104C 1 17,-2.8 17,-3.1 -2,-0.3 2,-0.5 -0.998 13.4-160.1-131.0 126.5 24.4 18.7 32.6 88 97 A T E -DE 81 103C 12 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.5 -0.922 6.8-173.4-105.7 128.9 23.1 19.5 29.1 89 98 A I E +DE 80 102C 0 13,-2.6 13,-2.5 -2,-0.5 2,-0.4 -0.992 8.3 177.6-121.1 124.3 20.6 22.3 28.7 90 99 A A E -DE 79 101C 0 -11,-2.5 -11,-2.5 -2,-0.5 2,-0.5 -0.977 23.5-142.0-126.4 141.3 19.0 22.9 25.3 91 100 A L E -DE 78 100C 0 9,-2.8 8,-3.6 -2,-0.4 9,-1.5 -0.911 27.3-173.3 -97.6 127.3 16.4 25.3 24.1 92 101 A H E -DE 77 98C 0 -15,-3.0 -15,-2.1 -2,-0.5 2,-0.3 -0.874 26.6-119.0-116.9 150.2 14.0 23.8 21.6 93 102 A E E > -D 76 0C 51 4,-2.6 3,-3.2 -2,-0.3 -17,-0.3 -0.642 43.5-103.1 -78.0 151.1 11.2 25.3 19.5 94 103 A L T 3 S+ 0 0 4 -19,-2.3 -18,-0.1 -22,-0.5 -1,-0.1 0.758 120.9 62.9 -49.3 -36.2 7.8 23.7 20.4 95 104 A G T 3 S- 0 0 17 -20,-0.2 -1,-0.3 -23,-0.1 -19,-0.1 0.587 124.4-100.2 -64.3 -13.9 7.9 21.4 17.3 96 105 A G S < S+ 0 0 3 -3,-3.2 -2,-0.1 1,-0.3 2,-0.1 0.184 75.6 135.4 120.0 -16.1 11.0 19.8 18.7 97 106 A E - 0 0 141 1,-0.1 -4,-2.6 -5,-0.1 -1,-0.3 -0.394 55.6-115.9 -71.7 140.3 14.0 21.4 16.9 98 107 A V E +E 92 0C 59 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.573 33.8 171.3 -76.7 131.5 17.1 22.4 18.9 99 108 A L E S+ 0 0 93 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.772 70.8 4.2-101.6 -46.3 17.9 26.2 18.9 100 109 A I E -E 91 0C 20 -9,-1.5 -9,-2.8 2,-0.0 -1,-0.4 -0.996 63.9-179.0-139.6 141.0 20.7 26.4 21.5 101 110 A D E -E 90 0C 105 -2,-0.3 2,-0.4 -11,-0.3 -11,-0.2 -0.989 1.7-178.5-145.4 141.5 22.5 23.7 23.5 102 111 A T E -E 89 0C 36 -13,-2.5 -13,-2.6 -2,-0.3 2,-0.5 -0.993 15.3-150.1-135.2 140.7 25.2 23.8 26.1 103 112 A K E -E 88 0C 143 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.959 15.8-167.0-112.0 127.4 27.0 21.0 28.0 104 113 A I E -E 87 0C 28 -17,-3.1 -17,-2.8 -2,-0.5 2,-0.2 -0.964 19.7-127.7-120.0 122.6 28.2 21.9 31.5 105 114 A D E -E 86 0C 100 -2,-0.5 2,-0.5 -19,-0.2 -19,-0.3 -0.526 24.3-160.6 -71.4 135.4 30.6 19.7 33.5 106 115 A I + 0 0 5 -21,-2.9 8,-0.0 -2,-0.2 -1,-0.0 -0.978 20.8 175.5-125.5 118.6 29.3 18.9 36.9 107 116 A H + 0 0 155 -2,-0.5 2,-0.2 7,-0.0 -1,-0.1 0.331 48.5 111.3-108.3 6.5 31.7 17.7 39.7 108 117 A E + 0 0 46 1,-0.1 -23,-0.1 5,-0.1 -2,-0.1 -0.515 36.4 174.1 -75.8 148.8 29.0 17.6 42.4 109 118 A I + 0 0 77 -2,-0.2 52,-2.7 51,-0.1 2,-0.2 0.676 49.8 79.9-122.3 -47.2 28.1 14.1 43.7 110 119 A D B >> S-g 161 0D 75 50,-0.2 4,-2.5 1,-0.1 3,-0.8 -0.489 81.9-116.1 -80.7 142.0 25.7 14.5 46.7 111 120 A Q H 3> S+ 0 0 49 50,-1.8 4,-2.7 1,-0.3 5,-0.2 0.791 110.8 47.0 -40.2 -57.5 22.0 15.2 46.2 112 121 A D H 3> S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.875 116.5 45.4 -58.8 -40.2 21.8 18.6 47.8 113 122 A D H <> S+ 0 0 88 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.859 112.1 51.3 -73.3 -39.6 24.9 19.9 45.9 114 123 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 113.3 45.3 -60.0 -48.2 23.7 18.4 42.6 115 124 A L H X S+ 0 0 20 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.914 111.3 51.9 -65.1 -45.2 20.3 20.1 43.0 116 125 A A H X S+ 0 0 49 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.900 112.5 46.7 -56.6 -43.2 21.8 23.4 44.0 117 126 A R H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.889 110.3 52.2 -66.1 -43.1 24.1 23.4 41.0 118 127 A L H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.881 110.7 46.6 -63.8 -41.2 21.3 22.5 38.6 119 128 A L H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.898 111.3 52.5 -68.9 -40.3 19.0 25.3 39.7 120 129 A F H X S+ 0 0 139 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.884 109.8 50.2 -59.1 -39.2 22.0 27.8 39.5 121 130 A E H X S+ 0 0 35 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.825 108.5 50.5 -72.7 -33.0 22.6 26.6 35.9 122 131 A I H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.949 111.7 48.9 -65.3 -49.6 19.0 27.0 34.9 123 132 A E H X S+ 0 0 105 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.920 112.0 48.4 -51.5 -51.4 19.0 30.6 36.3 124 133 A E H X S+ 0 0 99 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.887 108.9 54.6 -57.8 -43.3 22.3 31.4 34.5 125 134 A F H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.910 107.1 49.2 -59.1 -48.1 20.8 29.9 31.2 126 135 A F H < S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.5 43.8 -59.8 -36.8 17.7 32.2 31.3 127 136 A Q H >< S+ 0 0 118 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.929 115.3 46.5 -73.5 -47.2 20.0 35.2 32.0 128 137 A T H 3< S+ 0 0 80 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.897 122.8 33.4 -64.6 -42.2 22.7 34.3 29.4 129 138 A Y T >X S+ 0 0 56 -4,-2.6 3,-1.3 -5,-0.2 4,-1.2 0.088 77.5 127.1-104.6 23.8 20.2 33.5 26.5 130 139 A A T <4 S+ 0 0 63 -3,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.822 72.4 53.2 -48.8 -42.1 17.5 36.1 27.4 131 140 A A T 34 S+ 0 0 103 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.787 112.6 43.8 -67.7 -29.7 17.4 37.6 23.9 132 141 A Q T <4 S+ 0 0 109 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.544 96.0 93.1 -92.1 -12.3 16.9 34.2 22.3 133 142 A L < + 0 0 27 -4,-1.2 2,-0.0 -3,-0.4 -42,-0.0 -0.664 44.9 157.7 -84.6 138.4 14.3 33.1 24.8 134 143 A D - 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0 0 5 -36,-2.5 -34,-0.1 -2,-0.2 -1,-0.1 -0.380 15.5-132.9 -65.7 147.9 17.9 4.2 16.1 367 376 A R S S+ 0 0 123 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.886 87.3 50.2 -66.5 -40.8 17.6 7.7 14.7 368 377 A F + 0 0 13 1,-0.1 -2,-0.1 -180,-0.1 -171,-0.0 -0.707 48.1 124.5-105.4 149.3 19.0 9.3 17.9 369 378 A Y S S+ 0 0 67 -2,-0.3 -1,-0.1 -38,-0.1 -36,-0.1 0.131 85.0 36.0-155.3 -52.0 22.0 8.7 20.1 370 379 A K S S+ 0 0 149 1,-0.1 2,-1.6 -38,-0.1 3,-0.1 0.485 93.1 93.1 -88.2 -4.4 24.1 11.9 20.5 371 380 A Q > + 0 0 73 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 -0.684 57.7 176.9 -85.3 83.5 21.0 14.0 20.5 372 381 A A T 3 + 0 0 27 -2,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.684 69.9 47.1 -69.2 -21.4 20.8 13.9 24.3 373 382 A T T 3> S+ 0 0 9 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.476 83.7 88.5-104.5 -2.7 17.8 16.2 24.7 374 383 A M H <> S+ 0 0 18 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.832 83.6 60.8 -60.7 -36.6 15.5 14.7 22.0 375 384 A P H > S+ 0 0 9 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.912 105.4 47.6 -54.0 -42.1 14.1 12.3 24.7 376 385 A G H > S+ 0 0 0 -4,-0.2 4,-1.6 -3,-0.2 -2,-0.2 0.877 106.8 57.3 -66.5 -36.3 13.0 15.4 26.6 377 386 A A H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.884 103.5 54.0 -57.8 -40.2 11.5 16.8 23.5 378 387 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.859 104.0 54.4 -62.1 -40.3 9.3 13.7 23.2 379 388 A L H X S+ 0 0 21 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.878 111.2 46.0 -60.0 -41.8 8.0 14.1 26.7 380 389 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.925 111.7 50.1 -69.3 -48.0 6.9 17.7 25.8 381 390 A K H X S+ 0 0 22 -4,-2.6 4,-2.2 1,-0.2 3,-0.4 0.940 112.9 47.0 -56.2 -46.8 5.3 16.6 22.5 382 391 A Q H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.827 108.2 55.6 -66.8 -31.3 3.4 13.8 24.2 383 392 A A H < S+ 0 0 6 -4,-1.6 6,-2.0 2,-0.2 7,-0.5 0.789 107.8 49.7 -70.2 -29.2 2.2 16.2 27.0 384 393 A L H >< S+ 0 0 2 -4,-1.7 3,-0.7 -3,-0.4 6,-0.2 0.933 113.4 45.6 -67.4 -49.7 0.8 18.5 24.3 385 394 A Y H 3< S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.3 -372,-0.2 0.794 111.0 51.9 -64.3 -32.3 -1.0 15.5 22.7 386 395 A D T 3< S- 0 0 51 -4,-2.1 -377,-0.3 -5,-0.2 -1,-0.3 0.645 111.7-127.5 -76.6 -14.8 -2.2 14.3 26.1 387 396 A G S <> S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.4 5,-0.2 0.230 80.0 113.7 88.6 -12.2 -3.6 17.9 26.6 388 397 A L H > S+ 0 0 72 -5,-0.4 4,-1.6 -6,-0.2 -4,-0.2 0.928 81.2 39.4 -54.7 -51.4 -1.8 18.3 29.9 389 398 A L H > S+ 0 0 0 -6,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.871 110.8 59.3 -72.7 -36.9 0.6 21.0 28.7 390 399 A L H > S+ 0 0 0 -7,-0.5 4,-2.8 -6,-0.2 -1,-0.2 0.918 106.6 47.8 -52.8 -46.7 -2.0 22.7 26.5 391 400 A M H X S+ 0 0 31 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.880 109.7 52.5 -68.7 -36.4 -4.2 23.3 29.6 392 401 A K H X S+ 0 0 69 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.902 113.0 44.9 -61.6 -41.4 -1.2 24.7 31.5 393 402 A V H < S+ 0 0 23 -4,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.884 115.5 46.8 -69.4 -41.7 -0.5 27.1 28.6 394 403 A V H < S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.930 107.9 56.5 -62.4 -47.4 -4.2 28.0 28.4 395 404 A E H < 0 0 161 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.733 360.0 360.0 -57.1 -24.5 -4.5 28.5 32.2 396 405 A G < 0 0 115 -4,-0.7 -3,-0.2 -3,-0.3 -2,-0.2 0.784 360.0 360.0 103.4 360.0 -1.6 31.0 31.9