==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-12 4DQU . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.POJER,R.C.HARTKOORN,S.BOY,S.T.COLE . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 0 0 0 1 1 0 1 3 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A G > 0 0 72 0, 0.0 3,-2.6 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 99.0 -7.8 56.4 -22.3 2 4 A L T 3 + 0 0 71 1,-0.3 244,-0.3 243,-0.0 29,-0.1 0.749 360.0 32.7 -37.1 -36.5 -4.3 55.0 -23.3 3 5 A L T > S+ 0 0 0 27,-2.0 3,-1.8 24,-0.2 -1,-0.3 -0.037 83.1 161.4-119.2 27.4 -6.0 51.9 -24.7 4 6 A D T < S+ 0 0 116 -3,-2.6 28,-0.2 26,-0.3 27,-0.1 -0.244 71.1 4.3 -59.0 127.3 -9.3 53.3 -26.0 5 7 A G T 3 S+ 0 0 39 26,-1.4 -1,-0.3 1,-0.2 2,-0.1 0.241 95.5 133.8 87.2 -17.3 -11.0 51.0 -28.5 6 8 A K < - 0 0 32 -3,-1.8 27,-2.7 81,-0.1 2,-0.5 -0.430 47.3-146.0 -79.2 143.5 -8.5 48.2 -28.3 7 9 A R E -a 33 0A 62 78,-0.2 80,-2.7 25,-0.2 81,-1.1 -0.915 25.8-176.5-103.8 131.1 -9.5 44.6 -27.9 8 10 A I E -ab 34 88A 1 25,-2.3 27,-2.1 -2,-0.5 2,-0.6 -0.990 25.5-148.6-143.3 126.9 -7.0 42.6 -25.8 9 11 A L E -ab 35 89A 0 79,-2.3 81,-3.2 -2,-0.4 2,-0.5 -0.870 19.5-170.8 -94.1 125.1 -6.6 39.0 -24.8 10 12 A V E -ab 36 90A 0 25,-2.1 27,-1.6 -2,-0.6 3,-0.2 -0.991 6.1-170.3-120.7 119.9 -5.0 38.9 -21.3 11 13 A S + 0 0 0 79,-1.9 27,-0.1 -2,-0.5 25,-0.0 -0.548 53.1 47.3 -98.1 165.8 -3.9 35.4 -20.2 12 14 A G + 0 0 20 25,-0.4 2,-0.5 1,-0.2 8,-0.4 0.551 54.1 151.9 85.3 10.1 -2.8 34.1 -16.8 13 15 A I + 0 0 2 24,-0.8 26,-0.4 -3,-0.2 -1,-0.2 -0.657 7.3 147.0 -70.9 122.6 -5.2 35.5 -14.1 14 16 A I - 0 0 71 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.491 67.8 -0.7-129.2 -27.8 -5.2 33.0 -11.2 15 17 A T S > S- 0 0 28 33,-0.1 3,-1.7 34,-0.0 -1,-0.6 -0.944 79.9 -94.2-150.2 178.1 -5.7 35.3 -8.2 16 18 A D T 3 S+ 0 0 100 1,-0.3 -3,-0.0 -2,-0.3 0, 0.0 0.446 124.9 54.4 -81.2 0.7 -6.2 39.0 -7.5 17 19 A S T 3 S+ 0 0 36 4,-0.1 -1,-0.3 5,-0.0 216,-0.0 0.387 79.7 116.9-110.7 3.7 -2.5 39.3 -6.8 18 20 A S S <> S- 0 0 9 -3,-1.7 4,-1.3 1,-0.1 5,-0.1 -0.368 74.7-125.4 -52.7 142.0 -1.5 37.8 -10.3 19 21 A I H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.884 112.3 58.5 -60.5 -33.9 0.4 40.3 -12.4 20 22 A A H > S+ 0 0 0 -8,-0.4 4,-4.1 72,-0.2 5,-0.2 0.922 97.2 61.7 -61.7 -42.0 -2.3 39.7 -15.2 21 23 A F H > S+ 0 0 18 -6,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.908 108.9 40.5 -46.0 -50.6 -5.0 40.7 -12.8 22 24 A H H X S+ 0 0 38 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.826 113.3 52.4 -74.1 -31.5 -3.4 44.2 -12.5 23 25 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.977 111.0 49.8 -62.8 -54.3 -2.6 44.4 -16.2 24 26 A A H X S+ 0 0 0 -4,-4.1 4,-2.7 1,-0.2 -2,-0.2 0.899 113.9 45.7 -43.3 -50.8 -6.3 43.5 -16.8 25 27 A R H X S+ 0 0 58 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.933 114.5 44.4 -66.2 -51.7 -7.4 46.2 -14.4 26 28 A V H X S+ 0 0 11 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.884 112.1 54.9 -63.2 -34.1 -5.2 49.0 -15.6 27 29 A A H ><>S+ 0 0 0 -4,-3.1 3,-1.4 -5,-0.2 5,-1.3 0.974 111.3 43.9 -61.3 -55.2 -6.0 48.0 -19.2 28 30 A Q H ><5S+ 0 0 20 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.955 108.2 56.5 -55.7 -48.6 -9.8 48.4 -18.5 29 31 A E H 3<5S+ 0 0 103 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.768 108.6 53.8 -52.5 -19.8 -9.3 51.6 -16.6 30 32 A Q T <<5S- 0 0 62 -3,-1.4 -27,-2.0 -4,-0.6 -1,-0.3 0.406 126.7 -89.0-105.4 -0.7 -7.7 52.7 -19.8 31 33 A G T < 5S+ 0 0 26 -3,-2.4 -26,-1.4 1,-0.3 2,-0.2 0.375 77.2 135.0 125.4 0.6 -10.4 52.0 -22.4 32 34 A A < - 0 0 9 -5,-1.3 2,-0.5 -28,-0.2 -1,-0.3 -0.528 46.6-141.5 -92.7 148.6 -9.8 48.4 -23.5 33 35 A Q E -a 7 0A 105 -27,-2.7 -25,-2.3 -2,-0.2 2,-0.3 -0.900 31.3-159.8-104.6 130.6 -12.2 45.6 -24.1 34 36 A L E -a 8 0A 7 -2,-0.5 2,-0.4 21,-0.4 -25,-0.2 -0.712 25.7-163.7-117.3 161.4 -10.7 42.4 -22.9 35 37 A V E -a 9 0A 1 -27,-2.1 -25,-2.1 -2,-0.3 2,-0.3 -0.948 26.0-154.7-130.6 146.0 -11.1 38.7 -23.3 36 38 A L E -ac 10 58A 2 21,-2.4 23,-3.5 -2,-0.4 2,-0.3 -0.882 7.7-157.5-126.3 152.1 -9.5 36.7 -20.7 37 39 A T E - c 0 59A 2 -27,-1.6 -24,-0.8 -2,-0.3 -25,-0.4 -0.952 9.7-168.8-129.4 155.6 -8.1 33.2 -20.6 38 40 A G E - c 0 60A 2 21,-1.9 23,-2.4 -2,-0.3 4,-0.1 -0.957 17.0-133.4-145.5 159.0 -7.5 30.9 -17.6 39 41 A F - 0 0 112 -26,-0.4 22,-0.3 -2,-0.3 -1,-0.2 0.985 68.2 -37.2 -87.4 -77.4 -5.9 27.7 -16.9 40 42 A D S S+ 0 0 94 1,-0.2 2,-1.3 20,-0.1 3,-0.2 0.773 118.2 62.7-131.5 -34.2 -7.6 25.1 -14.9 41 43 A R > + 0 0 158 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.588 60.2 163.8 -87.0 73.2 -9.7 26.4 -12.0 42 44 A L H > S+ 0 0 37 -2,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.859 70.4 51.6 -66.8 -33.1 -12.1 28.3 -14.3 43 45 A R H > S+ 0 0 223 2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.974 111.3 48.5 -70.2 -47.6 -14.9 28.8 -11.7 44 46 A L H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.932 112.8 48.4 -48.1 -52.7 -12.3 30.2 -9.3 45 47 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.872 108.9 53.3 -61.0 -37.6 -11.0 32.5 -12.1 46 48 A Q H X S+ 0 0 66 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.967 110.2 47.4 -60.9 -46.8 -14.5 33.6 -13.0 47 49 A R H < S+ 0 0 141 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.892 114.3 47.7 -62.7 -40.4 -15.2 34.6 -9.4 48 50 A I H >< S+ 0 0 13 -4,-2.6 3,-1.5 -5,-0.2 -1,-0.2 0.915 110.9 49.4 -61.7 -44.2 -11.8 36.4 -9.2 49 51 A T H >< S+ 0 0 8 -4,-2.8 3,-3.5 1,-0.3 5,-0.3 0.795 89.0 81.2 -77.9 -21.8 -12.3 38.3 -12.5 50 52 A D T 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.682 86.6 64.4 -46.5 -24.4 -15.9 39.5 -11.4 51 53 A R T < S+ 0 0 164 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.538 74.8 108.7 -81.6 -12.1 -13.9 42.1 -9.5 52 54 A L S < S- 0 0 9 -3,-3.5 -27,-0.1 1,-0.1 -30,-0.0 -0.321 88.5-105.6 -63.4 153.2 -12.4 43.8 -12.6 53 55 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.485 102.1 22.5 -63.2 7.5 -13.8 47.2 -13.3 54 56 A A S S- 0 0 49 -5,-0.3 -2,-0.1 2,-0.0 2,-0.1 -0.974 89.8 -92.9-161.0 160.2 -15.7 45.7 -16.2 55 57 A K + 0 0 158 -2,-0.3 -21,-0.4 -4,-0.1 -5,-0.1 -0.383 38.5 179.3 -73.1 156.7 -17.0 42.4 -17.5 56 58 A A - 0 0 6 -23,-0.1 -21,-0.2 -2,-0.1 -4,-0.1 -0.929 31.8-109.6-159.2 134.7 -14.9 40.3 -19.9 57 59 A P - 0 0 49 0, 0.0 -21,-2.4 0, 0.0 2,-0.5 -0.302 33.9-145.2 -62.8 156.6 -15.6 36.9 -21.5 58 60 A L E -c 36 0A 37 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.972 14.8-170.2-130.2 126.2 -13.4 34.2 -20.1 59 61 A L E -c 37 0A 26 -23,-3.5 -21,-1.9 -2,-0.5 2,-0.2 -0.896 24.8-118.4-119.5 149.0 -12.0 31.3 -22.0 60 62 A E E +c 38 0A 93 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.492 36.8 169.4 -77.4 140.8 -10.3 28.2 -21.0 61 63 A L - 0 0 5 -23,-2.4 2,-0.8 -22,-0.3 -24,-0.0 -0.771 18.1-175.7-156.3 109.6 -6.7 27.8 -22.3 62 64 A D > - 0 0 37 -2,-0.3 3,-3.5 1,-0.1 6,-0.2 -0.908 21.5-148.9-103.4 102.7 -4.2 25.2 -21.2 63 65 A V T 3 S+ 0 0 5 -2,-0.8 -1,-0.1 1,-0.3 64,-0.1 0.657 95.1 57.8 -47.5 -18.5 -1.2 26.2 -23.1 64 66 A Q T 3 S+ 0 0 71 1,-0.0 2,-0.7 5,-0.0 -1,-0.3 0.334 87.2 96.1 -92.3 5.9 -0.1 22.5 -23.2 65 67 A N <> - 0 0 41 -3,-3.5 4,-2.3 1,-0.2 3,-0.3 -0.837 58.0-163.0-104.2 111.0 -3.3 21.5 -24.9 66 68 A E H > S+ 0 0 134 -2,-0.7 4,-3.6 1,-0.2 -1,-0.2 0.945 92.3 51.2 -51.6 -47.2 -3.1 21.2 -28.7 67 69 A E H > S+ 0 0 131 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.792 107.7 51.2 -65.3 -33.1 -6.9 21.3 -29.0 68 70 A H H > S+ 0 0 24 -3,-0.3 4,-0.8 -6,-0.2 -1,-0.3 0.895 114.1 45.2 -71.3 -40.7 -7.3 24.5 -26.9 69 71 A L H >X S+ 0 0 15 -4,-2.3 3,-1.0 -7,-0.2 4,-0.6 0.968 111.7 52.7 -65.5 -53.0 -4.7 26.1 -29.1 70 72 A A H 3< S+ 0 0 82 -4,-3.6 4,-0.3 1,-0.2 3,-0.2 0.882 117.9 37.2 -37.9 -50.3 -6.4 24.8 -32.2 71 73 A S H 3X S+ 0 0 35 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.555 90.8 94.6 -92.3 -3.8 -9.7 26.3 -31.1 72 74 A L H S+ 0 0 47 -4,-0.3 4,-2.9 2,-0.2 3,-0.4 0.990 112.1 46.8 -53.9 -61.0 -12.5 30.5 -33.1 75 77 A R H X S+ 0 0 56 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.920 113.7 50.2 -50.4 -42.8 -13.5 31.0 -29.4 76 78 A V H X S+ 0 0 0 -4,-3.5 4,-1.9 -5,-0.2 -1,-0.2 0.893 111.2 44.3 -66.1 -40.5 -11.9 34.5 -29.4 77 79 A T H X S+ 0 0 34 -4,-2.5 4,-2.1 -3,-0.4 -1,-0.2 0.932 113.3 53.8 -76.3 -35.0 -13.7 35.9 -32.5 78 80 A E H >< S+ 0 0 157 -4,-2.9 3,-0.5 -5,-0.3 -2,-0.2 0.967 111.0 45.6 -49.0 -56.1 -16.9 34.3 -31.3 79 81 A A H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.805 123.3 34.5 -65.1 -28.4 -16.4 36.2 -28.0 80 82 A I H 3< S- 0 0 28 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.500 121.4-105.4-104.7 -5.1 -15.5 39.5 -29.7 81 83 A G X< - 0 0 28 -4,-2.1 3,-1.2 -3,-0.5 -3,-0.2 0.549 39.3 -72.3 86.1 133.3 -17.9 39.0 -32.6 82 84 A A T 3 S+ 0 0 96 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.010 118.5 35.9 -60.9 150.0 -17.1 38.0 -36.2 83 85 A G T 3 S+ 0 0 84 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.488 99.5 107.2 80.3 -0.2 -15.5 40.7 -38.3 84 86 A N < - 0 0 52 -3,-1.2 2,-0.3 -7,-0.1 -1,-0.3 -0.917 50.0-165.0-110.9 145.4 -13.6 41.8 -35.3 85 87 A K - 0 0 90 -2,-0.4 2,-0.2 -3,-0.1 -78,-0.2 -0.839 23.2-103.0-121.1 162.6 -9.9 41.4 -34.5 86 88 A L E - d 0 136A 0 49,-2.7 51,-2.4 -2,-0.3 -78,-0.2 -0.568 18.7-172.8 -71.4 139.1 -7.5 41.6 -31.5 87 89 A D E S+ 0 0 30 -80,-2.7 54,-0.9 -2,-0.2 2,-0.3 0.414 72.8 26.0 -97.3 -4.8 -5.2 44.6 -31.1 88 90 A G E -bd 8 141A 1 -81,-1.1 -79,-2.3 52,-0.2 2,-0.4 -0.994 55.0-166.8-164.2 134.9 -3.3 43.2 -28.1 89 91 A V E -bd 9 142A 1 52,-2.4 54,-2.3 -2,-0.3 2,-0.5 -0.996 9.1-160.6-132.5 132.4 -2.3 39.9 -26.5 90 92 A V E -bd 10 143A 0 -81,-3.2 -79,-1.9 -2,-0.4 2,-0.6 -0.961 1.9-166.5-113.9 122.5 -0.8 39.5 -23.1 91 93 A H E + d 0 144A 1 52,-3.6 54,-1.1 -2,-0.5 -79,-0.1 -0.935 22.5 156.1-103.3 116.8 1.1 36.3 -22.2 92 94 A S + 0 0 20 -2,-0.6 2,-0.3 52,-0.2 -72,-0.2 -0.408 32.0 125.4-137.8 55.3 1.5 36.3 -18.4 93 95 A I + 0 0 30 28,-0.1 2,-0.3 27,-0.1 52,-0.1 -0.928 23.6 147.0-124.2 138.5 1.9 32.5 -18.0 94 96 A G + 0 0 43 -2,-0.3 2,-0.3 -82,-0.1 24,-0.1 -0.983 7.6 160.9-167.1 151.8 4.8 30.6 -16.2 95 97 A F - 0 0 95 22,-0.3 26,-0.4 -2,-0.3 25,-0.2 -0.835 10.9-176.2-175.5 140.8 5.5 27.5 -14.2 96 98 A M - 0 0 11 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.949 38.1-111.7-140.2 125.2 8.4 25.3 -13.3 97 99 A P > - 0 0 14 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.160 34.8-112.7 -47.7 151.0 7.9 22.1 -11.3 98 100 A Q G > >S+ 0 0 116 1,-0.3 3,-1.5 2,-0.2 5,-0.6 0.733 113.0 72.5 -73.7 -18.3 9.3 22.6 -7.8 99 101 A T G 3 5S+ 0 0 38 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.675 101.3 47.5 -62.0 -17.0 12.1 20.0 -8.5 100 102 A G G < 5S+ 0 0 1 -3,-2.1 58,-1.6 1,-0.2 59,-0.6 0.355 104.6 70.0-104.4 3.9 13.5 22.8 -10.8 101 103 A M T < 5S- 0 0 24 -3,-1.5 2,-1.5 56,-0.2 -1,-0.2 -0.759 110.9 -64.0-131.2 89.8 13.2 25.6 -8.3 102 104 A G T 5S+ 0 0 17 -2,-0.4 107,-0.1 53,-0.3 53,-0.1 -0.213 112.8 73.7 89.2 -46.8 15.3 25.9 -5.2 103 105 A I S - 0 0 80 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.432 37.8-109.1 -62.4 147.2 19.9 21.0 -6.1 106 108 A F G > S+ 0 0 80 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.882 117.2 56.0 -49.8 -43.4 20.1 22.3 -9.7 107 109 A F G 3 S+ 0 0 183 1,-0.2 -1,-0.3 3,-0.0 -7,-0.1 0.486 100.1 62.1 -70.7 -5.9 21.6 19.0 -11.0 108 110 A D G < + 0 0 92 -3,-2.5 -1,-0.2 -9,-0.1 -2,-0.2 0.449 68.1 108.0-105.7 -5.6 18.6 17.0 -9.7 109 111 A A S < S- 0 0 13 -3,-1.3 2,-0.3 -4,-0.5 -9,-0.1 -0.604 71.5-131.3 -60.2 129.2 15.8 18.4 -11.7 110 112 A P >> - 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0 0 33 -3,-1.8 4,-1.9 3,-0.1 -1,-0.4 0.158 52.9 -91.2 88.9 155.3 12.8 24.8 1.7 207 209 A E H > S+ 0 0 138 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.840 118.8 52.5 -76.4 -35.8 14.4 27.3 4.0 208 210 A E H > S+ 0 0 144 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 109.4 50.6 -73.8 -36.8 17.5 28.2 2.2 209 211 A A H >> S+ 0 0 3 -4,-0.3 4,-3.4 2,-0.2 3,-0.5 0.983 110.8 51.2 -47.5 -63.8 15.4 29.0 -1.0 210 212 A G H 3X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.3 -2,-0.2 0.862 111.9 45.4 -39.1 -54.5 13.2 31.2 1.2 211 213 A A H 3X S+ 0 0 38 -4,-2.7 4,-2.4 2,-0.2 -1,-0.3 0.858 113.2 50.4 -66.0 -34.5 16.2 33.0 2.6 212 214 A Q H < - 0 0 6 -4,-2.6 3,-3.0 -5,-0.2 37,-0.2 -0.357 65.6-151.6 -58.7 106.7 16.8 50.5 -7.7 225 227 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.660 99.3 34.5 -58.3 -10.9 17.5 54.2 -8.1 226 228 A I T 3 S- 0 0 148 34,-1.1 35,-0.1 1,-0.3 -2,-0.1 0.153 121.3-109.0-124.2 17.8 13.8 54.9 -7.7 227 229 A G < - 0 0 26 -3,-3.0 2,-0.3 -6,-0.3 -1,-0.3 0.121 22.9-117.9 82.4 161.3 13.1 52.1 -5.3 228 230 A W - 0 0 23 -10,-0.1 2,-0.7 -3,-0.1 -7,-0.1 -0.971 16.2-164.0-138.9 129.9 11.2 48.8 -5.9 229 231 A N > - 0 0 84 -2,-0.3 3,-1.9 3,-0.2 31,-0.0 -0.858 2.5-170.7-116.8 97.9 8.1 47.9 -4.0 230 232 A M T 3 S+ 0 0 41 -2,-0.7 -37,-3.4 1,-0.3 -1,-0.1 0.538 84.0 65.6 -61.3 -11.7 7.4 44.2 -4.5 231 233 A K T 3 S+ 0 0 140 -39,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.565 93.7 67.2 -83.9 -12.3 4.0 44.7 -2.9 232 234 A D < + 0 0 57 -3,-1.9 4,-0.3 1,-0.1 -3,-0.2 -0.823 50.5 173.8-121.4 94.8 2.8 46.8 -5.8 233 235 A A > + 0 0 6 -2,-0.6 4,-2.5 1,-0.2 3,-0.5 0.493 61.3 92.5 -71.8 -4.2 2.3 45.2 -9.3 234 236 A T H > S+ 0 0 36 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.807 75.9 57.5 -79.0 -25.2 0.8 48.2 -10.8 235 237 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.862 110.6 47.4 -67.3 -27.2 4.0 49.8 -12.2 236 238 A V H >> S+ 0 0 0 -3,-0.5 4,-1.8 -4,-0.3 3,-0.8 0.974 109.7 52.7 -72.1 -45.4 4.5 46.6 -14.1 237 239 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.868 108.7 50.6 -50.4 -39.4 0.8 46.7 -15.2 238 240 A K H 3X S+ 0 0 137 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.844 106.9 54.4 -73.6 -28.9 1.3 50.2 -16.5 239 241 A T H S+ 0 0 32 -4,-1.5 5,-0.5 1,-0.2 6,-0.4 0.922 109.0 45.5 -63.2 -38.1 2.6 51.2 -22.5 243 245 A L H <5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 110.9 52.5 -74.3 -32.4 3.6 48.4 -24.9 244 246 A L H <5S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.701 101.7 79.7 -69.4 -23.7 0.0 47.7 -25.8 245 247 A S T <5S- 0 0 0 -4,-1.6 3,-0.4 -5,-0.2 -242,-0.1 -0.073 95.6-111.2 -74.4-175.4 -0.4 51.4 -26.6 246 248 A D T 5S+ 0 0 93 -244,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.099 97.8 92.9 -96.4 14.6 0.7 53.0 -29.9 247 249 A W S S+ 0 0 53 -6,-0.4 3,-1.2 -3,-0.4 -1,-0.2 -0.591 72.1 151.4-113.3 65.3 6.2 52.4 -28.5 249 251 A P T 3 + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.657 67.9 45.7 -84.2 -4.8 5.5 51.9 -32.3 250 252 A A T 3 S+ 0 0 96 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 -0.026 90.0 97.3-119.0 26.5 9.1 51.1 -33.3 251 253 A T < + 0 0 35 -3,-1.2 2,-0.3 -8,-0.1 -3,-0.1 -0.975 42.5 138.9-118.9 127.0 10.1 48.6 -30.5 252 254 A T + 0 0 68 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.982 57.7 31.2-164.2 162.8 9.9 44.8 -31.1 253 255 A G S S+ 0 0 18 -69,-3.0 -68,-0.2 -2,-0.3 -82,-0.1 0.588 103.7 125.7 60.2 10.7 11.8 41.6 -30.4 254 256 A D E -f 185 0A 82 -70,-0.7 -68,-2.5 -84,-0.1 2,-0.4 -0.233 61.2-130.7-104.3 175.6 12.7 43.8 -27.4 255 257 A I E -f 186 0A 22 -70,-0.2 2,-0.5 -3,-0.1 -68,-0.2 -0.992 11.8-163.0-132.2 121.1 12.8 43.8 -23.5 256 258 A I E -f 187 0A 51 -70,-2.9 -68,-3.4 -2,-0.4 2,-0.7 -0.933 17.4-140.8-105.8 128.8 11.4 46.6 -21.3 257 259 A Y E +f 188 0A 81 -2,-0.5 2,-0.7 -70,-0.2 -68,-0.2 -0.826 23.1 176.4 -97.5 113.7 12.6 46.5 -17.8 258 260 A A E +f 189 0A 10 -70,-3.2 -68,-2.0 -2,-0.7 -22,-0.1 -0.810 47.6 112.3-108.3 84.8 10.0 47.4 -15.2 259 261 A D S > S- 0 0 7 -2,-0.7 3,-1.6 -70,-0.3 -1,-0.1 0.089 94.2 -96.9-150.7 13.2 12.3 46.7 -12.3 260 262 A G T 3 S- 0 0 11 1,-0.3 -34,-1.1 -3,-0.1 -33,-0.2 0.447 74.1 -70.4 75.5 -1.1 13.0 50.1 -10.7 261 263 A G T > S+ 0 0 21 -37,-0.2 3,-1.4 -36,-0.1 -1,-0.3 0.513 96.8 136.5 98.4 4.6 16.2 50.4 -12.6 262 264 A A G X + 0 0 0 -3,-1.6 3,-1.5 1,-0.3 -2,-0.1 0.831 62.8 58.4 -58.7 -40.7 17.8 47.7 -10.5 263 265 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -4,-0.1 -3,-0.1 0.686 98.4 60.4 -68.8 -15.2 19.5 45.9 -13.4 264 266 A T G < S+ 0 0 85 -3,-1.4 2,-0.4 -41,-0.0 -1,-0.3 0.346 98.2 69.9 -87.3 9.7 21.4 49.0 -14.4 265 267 A Q < - 0 0 89 -3,-1.5 -42,-0.1 1,-0.2 -41,-0.0 -0.975 56.3-162.0-136.1 136.1 23.3 49.2 -11.0 266 268 A L 0 0 141 -2,-0.4 -1,-0.2 1,-0.2 -43,-0.1 0.954 360.0 360.0 -87.9 -55.1 25.9 47.2 -9.4 267 269 A L 0 0 203 -44,-0.1 -1,-0.2 -45,-0.1 -48,-0.0 -0.795 360.0 360.0-123.4 360.0 25.9 48.0 -5.7