==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-MAY-07 2V0C . COMPND 2 MOLECULE: AMINOACYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR F.ROCK,W.MAO,A.YAREMCHUK,M.TUKALO,T.CREPIN,H.ZHOU,Y.ZHANG, . 811 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 49 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 2 3 3 0 1 1 3 2 0 2 1 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 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 5 5 3 0 2 2 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 . 1 6 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 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 M 0 0 127 0, 0.0 2,-0.1 0, 0.0 690,-0.0 0.000 360.0 360.0 360.0 142.8 -11.8 -55.9 -4.9 2 2 A E - 0 0 102 1,-0.1 2,-0.2 692,-0.1 692,-0.1 -0.342 360.0-130.2 -77.1 162.6 -11.2 -52.6 -3.2 3 3 A K - 0 0 170 1,-0.1 -1,-0.1 -2,-0.1 684,-0.1 -0.669 32.2 -76.5-113.1 161.0 -7.7 -51.2 -2.5 4 4 A Y - 0 0 12 -2,-0.2 -1,-0.1 683,-0.2 683,-0.1 -0.328 47.3-175.7 -51.9 133.8 -5.8 -49.8 0.5 5 5 A N - 0 0 91 2,-0.1 4,-0.5 1,-0.1 -1,-0.1 -0.859 15.7-170.0-141.4 101.5 -7.0 -46.2 1.1 6 6 A P > + 0 0 3 0, 0.0 4,-1.4 0, 0.0 649,-0.2 0.688 56.5 106.4 -71.8 -15.5 -5.2 -44.2 3.8 7 7 A H T 4 S- 0 0 91 1,-0.2 2,-2.2 2,-0.2 -2,-0.1 -0.295 91.6 -0.7 -67.5 143.3 -7.7 -41.4 3.6 8 8 A A T > S+ 0 0 83 1,-0.2 4,-1.9 4,-0.0 -1,-0.2 -0.245 117.1 77.9 71.5 -49.0 -10.1 -41.2 6.5 9 9 A I H > S+ 0 0 21 -2,-2.2 4,-2.1 -4,-0.5 -1,-0.2 0.860 92.2 52.3 -61.6 -31.5 -8.8 -44.3 8.4 10 10 A E H X S+ 0 0 15 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.926 108.8 47.1 -72.0 -47.8 -5.8 -42.4 9.7 11 11 A A H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 111.7 54.8 -55.7 -41.5 -7.7 -39.4 11.3 12 12 A K H X S+ 0 0 98 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.932 112.7 39.5 -60.2 -50.9 -10.1 -42.0 12.8 13 13 A W H X S+ 0 0 20 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.862 110.2 59.9 -71.0 -34.0 -7.4 -44.0 14.6 14 14 A Q H X S+ 0 0 10 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.920 110.2 42.2 -56.1 -47.8 -5.4 -40.8 15.6 15 15 A R H X S+ 0 0 151 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.919 113.5 53.8 -66.5 -43.9 -8.4 -39.6 17.5 16 16 A F H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.920 108.6 47.2 -55.5 -50.7 -9.1 -43.1 19.0 17 17 A W H X>S+ 0 0 2 -4,-2.9 5,-1.1 2,-0.2 4,-1.1 0.902 114.6 47.2 -63.8 -38.0 -5.7 -43.6 20.3 18 18 A E H ><5S+ 0 0 81 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.954 112.5 48.7 -68.6 -48.9 -5.6 -40.1 21.9 19 19 A E H 3<5S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.7 50.0 -54.3 -44.0 -9.1 -40.5 23.5 20 20 A K H 3<5S- 0 0 115 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.710 99.7-140.6 -72.6 -21.4 -8.2 -43.8 24.9 21 21 A G T X<5 + 0 0 30 -4,-1.1 3,-2.0 -3,-0.6 -3,-0.2 0.779 41.7 158.4 68.7 31.4 -5.0 -42.5 26.4 22 22 A F T 3 -D 645 0C 16 -2,-0.3 4,-2.3 598,-0.2 3,-0.4 -0.687 44.4 -78.2-125.8-177.0 9.7 -31.7 8.0 48 50 A M H > S+ 0 0 0 596,-1.9 4,-1.1 1,-0.2 597,-0.1 0.674 125.1 62.8 -60.7 -20.6 10.4 -35.4 7.3 49 51 A G H >> S+ 0 0 15 2,-0.2 4,-1.4 595,-0.1 3,-0.7 0.959 106.9 41.9 -65.7 -53.9 13.9 -35.1 8.8 50 52 A H H 3> S+ 0 0 61 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.923 113.5 56.6 -54.8 -42.1 12.4 -34.2 12.2 51 53 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.703 96.6 60.3 -70.2 -19.9 9.9 -36.9 11.6 52 54 A K H S+ 0 0 33 -4,-3.0 5,-1.8 1,-0.2 4,-0.6 0.885 111.6 53.2 -63.5 -38.2 7.3 -51.3 24.5 65 67 A R H ><5S+ 0 0 67 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.910 108.1 51.3 -62.6 -43.1 3.8 -50.4 25.4 66 68 A M H 3<5S+ 0 0 5 -4,-2.6 736,-0.6 1,-0.2 -2,-0.2 0.869 103.1 59.1 -59.9 -38.9 2.6 -53.6 23.6 67 69 A Q H 3<5S- 0 0 60 -4,-1.9 -1,-0.2 734,-0.3 -2,-0.2 0.634 124.8-100.9 -66.3 -14.4 5.0 -55.7 25.6 68 70 A G T <<5S+ 0 0 59 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.339 73.8 142.2 108.5 -2.8 3.4 -54.5 28.9 69 71 A Y < - 0 0 73 -5,-1.8 2,-0.7 1,-0.1 -1,-0.3 -0.309 59.7-116.0 -65.9 148.1 6.0 -51.9 29.9 70 72 A E E -a 32 0A 34 -39,-2.6 -37,-2.3 -45,-0.0 2,-0.5 -0.814 44.8-155.7 -76.0 119.9 4.9 -48.7 31.6 71 73 A V E -a 33 0A 1 -2,-0.7 2,-0.6 -47,-0.2 -37,-0.2 -0.895 22.0-166.5-114.6 127.0 6.1 -46.3 28.9 72 74 A L E +a 34 0A 0 -39,-2.3 -37,-2.2 -2,-0.5 -48,-0.1 -0.956 19.9 161.4-105.6 115.3 7.0 -42.6 29.2 73 75 A H + 0 0 0 -2,-0.6 45,-1.7 -50,-0.4 2,-0.2 -0.881 19.4 178.5-137.3 87.7 7.2 -41.0 25.7 74 76 A P - 0 0 0 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.665 17.8-163.5-101.6 160.9 7.0 -37.2 26.1 75 77 A M + 0 0 0 43,-0.4 48,-0.4 -2,-0.2 2,-0.3 -0.929 19.8 144.5-138.1 154.4 7.1 -34.1 23.8 76 78 A G - 0 0 0 -2,-0.3 2,-0.5 46,-0.2 48,-0.2 -0.930 42.7 -83.4-173.9-173.0 7.7 -30.4 24.5 77 79 A W B -e 124 0D 0 46,-2.4 48,-2.1 -2,-0.3 2,-1.8 -0.955 8.5-153.6-127.9 120.5 9.1 -27.2 23.2 78 80 A D + 0 0 0 -38,-2.5 6,-0.2 -2,-0.5 46,-0.1 -0.658 44.9 157.1 -86.3 75.6 12.7 -26.0 23.5 79 81 A A + 0 0 0 -2,-1.8 2,-0.2 -38,-0.2 -1,-0.2 0.290 31.3 73.8-102.7 4.2 11.2 -22.5 23.2 80 82 A F S S+ 0 0 0 418,-0.1 4,-0.3 4,-0.1 349,-0.2 -0.701 76.4 20.7-117.1 166.1 13.6 -20.0 24.7 81 83 A G S > S- 0 0 8 347,-2.2 4,-2.0 -2,-0.2 5,-0.2 -0.281 106.5 -15.5 76.3-159.0 16.9 -18.5 23.6 82 84 A L H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.802 122.7 52.1 -56.5 -51.6 18.5 -18.1 20.2 83 85 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.944 116.8 37.1 -59.2 -51.8 16.6 -20.5 17.8 84 86 A A H > S+ 0 0 0 -4,-0.3 4,-2.4 -6,-0.2 5,-0.2 0.927 122.9 44.7 -60.3 -47.1 13.0 -19.3 18.6 85 87 A E H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.920 111.4 49.7 -70.8 -45.9 14.1 -15.6 18.9 86 88 A N H X S+ 0 0 31 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.898 114.2 47.4 -54.8 -43.3 16.4 -15.4 15.8 87 89 A A H X S+ 0 0 14 -4,-1.6 4,-1.0 -5,-0.4 -2,-0.2 0.941 113.4 46.5 -65.2 -49.0 13.6 -17.0 13.7 88 90 A A H ><>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 3,-0.8 0.932 114.2 48.4 -58.0 -48.5 10.8 -14.7 15.0 89 91 A L H ><5S+ 0 0 31 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.842 102.1 62.0 -63.8 -38.1 13.1 -11.6 14.6 90 92 A K H 3<5S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 111.7 39.8 -56.4 -30.9 14.0 -12.6 11.0 91 93 A F T <<5S- 0 0 107 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.044 118.0-111.4-106.2 22.8 10.3 -12.3 10.0 92 94 A G T < 5S+ 0 0 51 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.764 72.8 139.0 51.2 32.1 9.7 -9.2 12.2 93 95 A V < - 0 0 46 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.798 60.9-107.2-107.4 146.8 7.5 -11.2 14.6 94 96 A H > - 0 0 18 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.524 31.6-124.4 -63.8 134.2 7.4 -11.1 18.4 95 97 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.820 107.6 51.6 -48.4 -44.2 9.0 -14.2 19.9 96 98 A K H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.908 113.1 43.8 -66.0 -43.0 6.0 -15.2 22.0 97 99 A D H > S+ 0 0 108 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.945 116.2 47.9 -66.2 -48.4 3.6 -15.0 19.0 98 100 A W H X S+ 0 0 39 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.893 111.1 51.2 -54.4 -48.8 6.0 -16.8 16.7 99 101 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.921 111.0 45.4 -63.4 -46.3 6.7 -19.6 19.2 100 102 A Y H X S+ 0 0 80 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.844 112.2 51.3 -72.6 -28.2 3.1 -20.4 20.0 101 103 A A H X S+ 0 0 42 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 112.6 47.5 -67.8 -44.2 2.1 -20.5 16.2 102 104 A N H X S+ 0 0 8 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.886 109.9 52.4 -64.8 -38.5 5.1 -22.8 15.5 103 105 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.930 108.3 50.8 -61.6 -46.2 4.1 -25.1 18.5 104 106 A R H X S+ 0 0 202 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.928 112.9 46.2 -57.4 -45.2 0.6 -25.4 17.2 105 107 A Q H X S+ 0 0 92 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 112.0 50.6 -65.6 -42.8 1.9 -26.3 13.7 106 108 A A H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.900 107.1 54.4 -63.6 -44.1 4.4 -28.8 15.1 107 109 A K H X S+ 0 0 75 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 109.1 47.9 -54.4 -45.7 1.7 -30.5 17.2 108 110 A E H X S+ 0 0 96 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.931 109.0 53.6 -65.4 -39.6 -0.4 -31.0 14.1 109 111 A S H X S+ 0 0 19 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.904 112.8 44.2 -60.6 -43.7 2.6 -32.4 12.2 110 112 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.1 2,-0.2 3,-0.8 0.926 114.1 49.1 -65.1 -46.7 3.2 -35.0 14.9 111 113 A R H ><5S+ 0 0 72 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.909 107.3 55.0 -59.7 -43.6 -0.4 -35.9 15.3 112 114 A L H 3<5S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.637 103.4 56.4 -68.2 -20.6 -0.9 -36.4 11.6 113 115 A M T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.347 119.0-110.0 -88.6 3.7 1.9 -38.9 11.4 114 116 A G T < 5 + 0 0 1 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.737 64.3 155.7 75.0 21.3 0.3 -41.0 14.1 115 117 A I < - 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0 0 23 -6,-0.5 2,-0.7 -5,-0.1 -597,-0.0 -0.385 46.5-144.8 -63.5 136.8 12.0 -29.8 3.3 644 646 A V - 0 0 34 -2,-0.1 -596,-1.9 4,-0.0 2,-0.2 -0.945 25.8-146.8 -97.5 110.7 9.1 -32.3 2.8 645 647 A M B > -D 47 0C 63 -2,-0.7 4,-1.4 -598,-0.2 -598,-0.2 -0.513 8.6-131.7 -86.4 150.7 6.4 -31.0 5.1 646 648 A V H > S+ 0 0 0 -600,-0.7 4,-3.0 -2,-0.2 5,-0.3 0.909 95.8 56.4 -69.8 -45.5 4.0 -33.4 6.8 647 649 A G H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.939 112.0 40.4 -56.9 -56.9 0.6 -31.7 6.1 648 650 A P H > S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.879 117.3 50.3 -59.8 -40.7 0.9 -31.7 2.3 649 651 A F H X S+ 0 0 17 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.945 112.2 43.4 -66.9 -48.4 2.5 -35.1 2.2 650 652 A V H < S+ 0 0 16 -4,-3.0 -1,-0.2 1,-0.2 5,-0.2 0.836 113.5 53.6 -68.9 -30.0 -0.1 -37.0 4.4 651 653 A K H < S+ 0 0 169 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.910 118.3 35.1 -64.2 -42.2 -2.9 -35.2 2.6 652 654 A E H < S- 0 0 133 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.790 144.6 -2.3 -81.9 -33.3 -1.7 -36.3 -0.8 653 655 A Q S < S- 0 0 36 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.456 98.7-103.2-124.5 -95.2 -0.3 -39.8 0.2 654 656 A G > - 0 0 0 -5,-0.3 4,-1.7 1,-0.1 -3,-0.1 -0.945 17.2 -95.6 171.9 171.3 -0.5 -40.7 3.9 655 657 A A H > S+ 0 0 0 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.936 118.3 47.5 -68.0 -51.3 1.1 -41.2 7.4 656 658 A D H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.891 111.3 54.4 -61.4 -35.2 1.9 -44.9 7.2 657 659 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.951 111.6 43.3 -59.6 -48.7 3.3 -44.3 3.7 658 660 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.900 113.1 53.2 -64.6 -42.5 5.7 -41.7 5.1 659 661 A R H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.933 112.3 42.9 -59.3 -48.3 6.5 -43.9 8.1 660 662 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.903 110.8 56.5 -64.3 -44.1 7.5 -46.9 6.0 661 663 A T H X S+ 0 0 6 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.953 115.6 38.9 -49.4 -52.4 9.4 -44.6 3.5 662 664 A I H >X S+ 0 0 4 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.966 119.2 43.9 -61.4 -55.6 11.5 -43.3 6.5 663 665 A L H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 117.1 43.1 -72.8 -27.5 11.9 -46.6 8.4 664 666 A F H 3< S+ 0 0 87 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.609 91.9 85.4 -90.1 -14.0 12.7 -48.8 5.4 665 667 A A H << S- 0 0 52 -4,-0.9 -1,-0.1 -3,-0.7 -2,-0.1 0.852 104.7 -36.7 -63.4 -38.7 15.1 -46.5 3.6 666 668 A A S < S- 0 0 21 -4,-0.5 74,-0.2 -3,-0.2 -1,-0.1 -0.957 84.9 -53.6-170.2 167.2 18.4 -47.3 5.4 667 669 A P > - 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