==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JUN-01 1JH3 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR J.I.GUIJARRO,A.PINTAR,A.PROCHNICKA-CHALUFOUR,V.GUEZ, . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 13.1 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 2 2.0 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 . 9 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A 0 0 149 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.3 24.0 -13.2 2.4 2 2 A L - 0 0 156 2,-0.0 2,-0.3 0, 0.0 6,-0.0 -0.939 360.0-164.1-156.3 155.0 23.1 -10.0 0.6 3 3 A F + 0 0 162 -2,-0.3 2,-0.3 5,-0.2 0, 0.0 -0.967 9.0 175.1-137.7 153.7 20.3 -8.9 -1.8 4 4 A S + 0 0 112 -2,-0.3 2,-0.3 5,-0.0 3,-0.1 -0.941 34.4 95.1-149.6 162.7 19.7 -6.0 -4.2 5 5 A G S S- 0 0 66 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.968 89.4 -48.2 148.3-153.8 16.7 -5.4 -6.6 6 6 A D S S+ 0 0 122 -2,-0.3 3,-0.3 1,-0.1 -1,-0.2 0.972 134.8 26.8 -78.7 -66.6 13.6 -3.4 -6.1 7 7 A I S > S+ 0 0 18 1,-0.2 3,-1.2 -3,-0.1 -1,-0.1 0.066 79.3 125.6 -91.7 26.7 12.3 -4.5 -2.7 8 8 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.1 -5,-0.2 0.503 79.4 45.4 -72.6 -1.8 15.7 -5.5 -1.2 9 9 A N T 3 S+ 0 0 123 -3,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.531 124.3 34.5-101.6 -20.3 15.1 -3.2 1.8 10 10 A L S < S+ 0 0 6 -3,-1.2 -1,-0.2 52,-0.1 75,-0.1 -0.687 81.1 153.1-137.8 74.8 11.5 -4.4 2.2 11 11 A T > - 0 0 45 -2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.031 61.7 -73.6 -89.5-161.8 11.3 -8.2 1.3 12 12 A A H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.985 135.0 31.2 -66.9 -54.5 8.8 -10.8 2.6 13 13 A A H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.767 122.8 53.4 -70.4 -23.8 10.3 -11.3 6.1 14 14 A E H > S+ 0 0 112 2,-0.2 4,-1.4 3,-0.2 -2,-0.2 0.847 110.3 44.6 -84.6 -32.9 11.3 -7.6 6.0 15 15 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 3,-0.2 5,-0.2 0.935 113.8 52.2 -71.5 -48.5 7.8 -6.4 5.1 16 16 A E H X S+ 0 0 78 -4,-2.6 4,-1.3 -5,-0.2 3,-0.2 0.961 121.3 29.8 -52.7 -58.5 6.3 -8.7 7.7 17 17 A Q H < S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 120.1 58.0 -74.6 -24.7 8.6 -7.4 10.6 18 18 A G H < S+ 0 0 38 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 121.2 24.5 -64.7 -40.3 8.8 -4.0 8.9 19 19 A F H >< S+ 0 0 17 -4,-2.8 3,-2.1 -3,-0.2 -2,-0.2 0.310 78.5 118.8-126.4 12.7 5.0 -3.5 8.9 20 20 A K T 3< + 0 0 130 -4,-1.3 -1,-0.1 1,-0.3 -3,-0.1 0.265 61.1 87.4 -55.1 9.1 3.9 -5.7 11.9 21 21 A D T 3 S+ 0 0 99 72,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.858 96.8 27.2 -78.4 -38.2 2.7 -2.3 13.2 22 22 A V S < S- 0 0 26 -3,-2.1 -3,-0.0 71,-0.4 2,-0.0 -0.644 94.5 -93.3-120.3 168.3 -0.6 -2.8 11.4 23 23 A P - 0 0 87 0, 0.0 72,-1.2 0, 0.0 2,-0.2 -0.214 37.3-136.5 -74.9 178.1 -2.7 -5.8 10.3 24 24 A S E -a 95 0A 75 70,-0.2 2,-0.3 -4,-0.1 72,-0.2 -0.714 7.6-147.0-129.5 172.0 -2.6 -7.4 6.9 25 25 A F E -a 96 0A 61 70,-1.6 72,-1.6 -2,-0.2 2,-0.3 -0.905 1.6-154.1-137.7 166.6 -5.0 -8.8 4.2 26 26 A V E -a 97 0A 72 -2,-0.3 72,-0.3 70,-0.2 2,-0.2 -0.988 8.1-168.3-139.6 133.9 -5.0 -11.5 1.6 27 27 A H E -a 98 0A 24 70,-1.7 72,-1.8 -2,-0.3 3,-0.1 -0.730 41.7 -94.5-114.1 179.1 -6.9 -11.7 -1.7 28 28 A E - 0 0 181 -2,-0.2 70,-0.1 1,-0.2 2,-0.1 0.197 66.2-101.0 -78.8 15.8 -7.4 -14.7 -4.0 29 29 A G S S+ 0 0 28 1,-0.2 -1,-0.2 68,-0.2 2,-0.1 -0.276 78.3 107.9 71.8-176.9 -4.6 -13.8 -6.4 30 30 A G S S- 0 0 55 -3,-0.1 -1,-0.2 -2,-0.1 2,-0.1 0.099 82.5 -72.7 80.4 149.5 -5.2 -12.2 -9.8 31 31 A D - 0 0 104 43,-0.1 42,-0.0 -2,-0.1 0, 0.0 -0.449 54.1-178.6 -71.8 153.5 -4.2 -8.5 -10.2 32 32 A V - 0 0 30 -2,-0.1 5,-0.0 37,-0.1 -2,-0.0 -0.954 30.9-100.7-161.3 131.3 -6.4 -6.0 -8.5 33 33 A P >> - 0 0 33 0, 0.0 4,-2.5 0, 0.0 3,-2.5 -0.289 29.5-116.2 -68.7 148.6 -6.2 -2.2 -8.5 34 34 A L H 3> S+ 0 0 2 38,-1.5 4,-2.0 1,-0.3 5,-0.2 0.847 115.1 56.1 -44.8 -41.0 -4.6 -0.4 -5.6 35 35 A V H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 18,-0.1 0.520 111.1 41.6 -80.9 -7.8 -8.0 1.3 -4.8 36 36 A E H <> S+ 0 0 44 -3,-2.5 4,-2.4 3,-0.1 -1,-0.2 0.723 113.6 51.0-104.5 -31.0 -9.9 -2.0 -4.5 37 37 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.809 111.5 48.4 -80.8 -20.2 -7.2 -3.9 -2.5 38 38 A L H X>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.3 4,-1.0 0.763 112.6 49.0 -77.4 -29.2 -7.0 -1.0 0.0 39 39 A V H 45S+ 0 0 21 2,-0.2 -2,-0.2 -5,-0.2 -1,-0.1 0.934 116.8 41.9 -75.6 -46.8 -10.8 -1.0 0.3 40 40 A S H <5S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.899 115.8 49.5 -57.2 -52.5 -10.7 -4.8 0.8 41 41 A A H <5S- 0 0 18 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.628 114.4-116.9 -80.2 -10.3 -7.7 -4.5 3.1 42 42 A G T <5S+ 0 0 31 -4,-1.0 -3,-0.2 -3,-0.1 -4,-0.1 0.740 76.4 127.8 89.5 29.7 -9.4 -1.8 5.2 43 43 A I S S- 0 0 78 1,-0.2 4,-3.2 2,-0.0 3,-0.3 -0.663 78.2-134.8 -76.6 115.3 -15.4 4.3 1.9 47 47 A K H > S+ 0 0 104 -2,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.773 101.9 45.7 -52.4 -37.6 -15.2 4.4 -1.9 48 48 A R H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.960 117.6 43.7 -61.3 -54.4 -14.6 8.2 -2.1 49 49 A Q H > S+ 0 0 60 -3,-0.3 4,-3.5 1,-0.2 5,-0.2 0.939 112.0 54.8 -58.9 -47.8 -12.0 8.1 0.7 50 50 A A H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.890 106.7 50.3 -46.3 -55.1 -10.5 5.0 -1.0 51 51 A R H X S+ 0 0 112 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.882 116.8 39.8 -65.0 -34.3 -10.1 6.8 -4.3 52 52 A E H X S+ 0 0 61 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.892 110.0 59.0 -76.3 -36.4 -8.3 9.8 -2.7 53 53 A D H < S+ 0 0 6 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.677 117.5 35.9 -63.9 -17.6 -6.4 7.5 -0.3 54 54 A I H < S+ 0 0 4 -4,-1.2 5,-0.2 -5,-0.2 -2,-0.2 0.833 113.5 53.5 -92.3 -52.7 -5.1 6.0 -3.6 55 55 A Q H < S+ 0 0 130 -4,-3.0 2,-0.4 -5,-0.2 -2,-0.2 0.547 92.4 98.4 -69.9 -6.5 -4.9 9.1 -5.8 56 56 A N S >< S- 0 0 54 -4,-1.8 3,-1.8 -5,-0.1 2,-0.8 -0.689 78.7-133.3 -79.9 139.8 -2.7 10.8 -3.1 57 57 A G T 3 S+ 0 0 42 -2,-0.4 8,-0.1 1,-0.3 -1,-0.1 0.064 100.7 80.9 -70.2 26.3 1.0 11.0 -3.3 58 58 A A T 3 + 0 0 27 -2,-0.8 31,-2.7 -4,-0.1 2,-0.7 0.168 70.0 83.2-115.6 5.1 0.7 9.9 0.4 59 59 A I E < -B 88 0A 0 -3,-1.8 7,-2.2 29,-0.3 2,-0.8 -0.921 63.1-173.4-106.6 94.1 0.2 6.2 -0.5 60 60 A Y E -BC 87 65A 93 27,-2.3 27,-3.0 -2,-0.7 2,-0.6 -0.858 12.3-152.1 -80.0 106.7 3.7 5.0 -1.0 61 61 A V E > S-BC 86 64A 1 3,-2.4 3,-2.4 -2,-0.8 25,-0.2 -0.805 81.6 -13.5 -83.8 124.6 3.4 1.4 -2.3 62 62 A N T 3 S- 0 0 12 23,-2.3 -1,-0.2 -2,-0.6 24,-0.1 0.723 135.2 -50.5 53.5 27.4 6.5 -0.5 -1.2 63 63 A G T 3 S+ 0 0 39 -3,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.286 119.9 102.8 98.0 -2.4 8.1 2.9 -0.3 64 64 A E E < S-C 61 0A 94 -3,-2.4 -3,-2.4 2,-0.1 2,-0.5 -0.940 79.6-116.7-119.3 122.7 7.4 4.7 -3.6 65 65 A R E +C 60 0A 111 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.3 -0.491 48.1 164.9 -55.5 109.0 4.6 7.2 -3.9 66 66 A L + 0 0 33 -7,-2.2 -10,-0.1 -2,-0.5 -2,-0.1 -0.948 8.2 165.5-143.0 103.8 2.4 5.4 -6.5 67 67 A Q + 0 0 63 -2,-0.4 2,-0.3 -12,-0.2 -10,-0.1 -0.365 45.2 73.4-127.9 45.3 -1.2 6.8 -6.7 68 68 A D S >> S- 0 0 81 1,-0.1 4,-2.1 -12,-0.1 3,-1.2 -0.984 75.1-122.1-154.4 154.1 -2.8 5.4 -9.9 69 69 A V T 34 S+ 0 0 67 -2,-0.3 -1,-0.1 1,-0.3 -35,-0.1 0.896 121.1 54.0 -63.4 -38.2 -4.3 2.1 -11.3 70 70 A G T 34 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.431 108.0 53.8 -73.8 -2.2 -1.6 2.4 -14.1 71 71 A A T <4 S- 0 0 28 -3,-1.2 2,-0.3 1,-0.3 -2,-0.2 0.836 122.5 -4.3 -91.3 -57.0 0.9 2.7 -11.2 72 72 A I < + 0 0 1 -4,-2.1 -38,-1.5 1,-0.1 -1,-0.3 -0.999 44.7 163.7-141.3 148.2 0.0 -0.5 -9.2 73 73 A L - 0 0 30 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.452 68.7 -14.1-112.4 -93.1 -2.4 -3.4 -9.1 74 74 A T S S- 0 0 2 -41,-0.0 -1,-0.3 5,-0.0 4,-0.2 -0.069 75.8 -80.1-108.4-170.2 -1.0 -6.3 -6.9 75 75 A A S >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-1.7 0.915 129.1 48.1 -57.0 -50.1 2.1 -7.6 -5.1 76 76 A E T 34 S+ 0 0 124 1,-0.3 -1,-0.2 5,-0.2 -45,-0.1 0.684 107.5 59.4 -65.4 -18.0 3.6 -9.1 -8.3 77 77 A H T 34 S+ 0 0 71 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.520 119.9 25.7 -86.5 -6.0 2.8 -5.7 -9.9 78 78 A R T <4 S+ 0 0 72 -3,-1.7 -2,-0.2 1,-0.5 2,-0.2 0.709 134.6 18.2-119.5 -65.0 5.1 -4.0 -7.2 79 79 A L S < S- 0 0 4 -4,-2.2 -1,-0.5 4,-0.4 -68,-0.0 -0.464 103.7 -87.0 -85.6 178.4 7.7 -6.6 -6.1 80 80 A E S S- 0 0 139 -2,-0.2 -4,-0.2 1,-0.1 -5,-0.0 0.783 94.6 -66.4 -56.7 -26.1 8.3 -9.7 -8.2 81 81 A G S S+ 0 0 3 -6,-0.3 -5,-0.2 2,-0.1 -1,-0.1 0.525 99.0 101.4 135.8 84.2 5.4 -11.1 -6.1 82 82 A R S S- 0 0 113 1,-0.7 16,-0.5 -7,-0.2 -7,-0.2 0.309 86.3 -32.3-129.1 -82.8 5.3 -11.8 -2.4 83 83 A F E - D 0 97A 32 -8,-0.2 -1,-0.7 14,-0.1 -4,-0.4 -0.345 54.5-137.0-119.5-165.6 3.5 -9.1 -0.3 84 84 A T E - D 0 96A 2 12,-1.1 12,-2.3 -2,-0.1 2,-0.4 -0.859 7.8-136.3-158.2 138.6 3.2 -5.3 -0.7 85 85 A V E - D 0 95A 0 -2,-0.3 -23,-2.3 10,-0.2 2,-0.6 -0.793 9.7-160.2 -84.0 139.3 3.4 -2.4 1.8 86 86 A I E -BD 61 94A 2 8,-2.9 8,-1.9 -2,-0.4 2,-1.8 -0.905 7.1-169.5-115.6 94.5 0.7 0.3 1.5 87 87 A R E +BD 60 93A 83 -27,-3.0 -27,-2.3 -2,-0.6 2,-1.3 -0.618 9.6 176.0 -91.5 75.1 2.3 3.2 3.3 88 88 A R E > -B 59 0A 3 4,-2.1 3,-2.8 -2,-1.8 -29,-0.3 -0.749 16.1-160.7 -79.0 92.6 -0.8 5.4 3.4 89 89 A G T 3 S+ 0 0 49 -31,-2.7 -1,-0.2 -2,-1.3 -30,-0.1 0.789 86.6 62.3 -51.2 -32.6 0.9 8.2 5.4 90 90 A K T 3 S+ 0 0 154 -32,-0.4 -1,-0.3 2,-0.1 -31,-0.1 0.610 129.2 4.7 -67.3 -12.6 -2.6 9.6 6.5 91 91 A K S < S- 0 0 90 -3,-2.8 2,-0.2 1,-0.2 -2,-0.1 0.320 111.4 -76.7-135.9 -97.6 -3.2 6.1 8.2 92 92 A K - 0 0 69 -6,-0.2 -4,-2.1 -4,-0.1 2,-0.9 -0.824 48.3 -67.1-159.2-159.9 -0.4 3.6 8.3 93 93 A Y E - D 0 87A 74 -6,-0.3 -71,-0.4 -2,-0.2 -6,-0.3 -0.761 54.6-169.9-110.2 75.9 1.6 1.0 6.4 94 94 A Y E - D 0 86A 32 -8,-1.9 -8,-2.9 -2,-0.9 2,-0.4 -0.277 15.6-125.0 -78.2 164.6 -0.9 -1.8 5.8 95 95 A L E -aD 24 85A 3 -72,-1.2 -70,-1.6 -10,-0.2 2,-0.4 -0.914 21.5-170.3-125.0 129.9 0.1 -5.1 4.4 96 96 A I E +aD 25 84A 0 -12,-2.3 -12,-1.1 -2,-0.4 2,-0.3 -0.977 12.7 158.3-125.0 129.3 -1.3 -6.8 1.4 97 97 A R E -aD 26 83A 105 -72,-1.6 -70,-1.7 -2,-0.4 2,-0.3 -0.839 27.1-128.2-131.5-177.2 -0.8 -10.4 0.1 98 98 A Y E a 27 0A 55 -16,-0.5 -70,-0.2 -72,-0.3 -68,-0.0 -0.798 360.0 360.0-123.7 165.6 -2.4 -13.0 -2.1 99 99 A A 0 0 97 -72,-1.8 -71,-0.1 -2,-0.3 -73,-0.0 -0.447 360.0 360.0 -71.7 360.0 -3.5 -16.6 -1.7