==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 12-JUL-06 2IY5 . COMPND 2 MOLECULE: PHENYLALANYL-TRNA SYNTHETASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.MOOR,O.KOTIK-KOGAN,D.TWOROWSKI,M.SUKHANOVA,M.SAFRO . 1116 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 92 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 6 0 1 0 3 3 3 3 2 2 2 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 PARALLEL BRIDGES PER LADDER . 9 8 5 3 7 4 4 1 1 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 . 4 4 1 1 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 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 15 A L >> 0 0 153 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -29.7 17.3 -6.6 -23.7 2 16 A E H 3> + 0 0 51 1,-0.3 4,-1.5 2,-0.2 5,-0.3 0.611 360.0 94.2 -59.3 -16.4 20.6 -5.7 -25.3 3 17 A E H 3> S+ 0 0 166 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.868 102.2 30.0 -44.8 -38.0 22.4 -5.8 -21.9 4 18 A L H <> S+ 0 0 91 -3,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.842 110.7 66.6 -86.5 -41.3 23.2 -9.4 -22.9 5 19 A K H < S+ 0 0 78 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.606 107.1 46.1 -55.6 -9.6 23.2 -8.6 -26.6 6 20 A A H >< S+ 0 0 38 -4,-1.5 3,-3.1 2,-0.1 -1,-0.2 0.848 105.1 54.1 -96.5 -54.6 26.3 -6.6 -25.5 7 21 A L H >X S+ 0 0 103 -4,-1.3 3,-2.9 1,-0.3 4,-1.1 0.814 90.1 81.1 -49.9 -30.0 28.0 -9.2 -23.3 8 22 A K H 3X + 0 0 85 -4,-2.6 4,-3.5 1,-0.3 5,-0.4 0.610 68.4 86.8 -53.2 -10.6 27.7 -11.3 -26.4 9 23 A A H <> S+ 0 0 65 -3,-3.1 4,-0.9 1,-0.2 -1,-0.3 0.856 101.0 29.6 -59.4 -35.7 30.8 -9.4 -27.4 10 24 A R H <4>S+ 0 0 145 -3,-2.9 5,-1.0 2,-0.2 -1,-0.2 0.664 114.0 64.1 -95.0 -22.1 32.8 -12.0 -25.6 11 25 A Y H <5S+ 0 0 138 -4,-1.1 -2,-0.2 1,-0.2 4,-0.2 0.909 119.6 26.4 -64.1 -40.6 30.2 -14.7 -26.3 12 26 A L H X5S+ 0 0 94 -4,-3.5 4,-1.6 3,-0.2 5,-0.2 0.756 124.0 58.7 -89.7 -31.1 31.1 -14.1 -30.0 13 27 A G H >X5S+ 0 0 5 -4,-0.9 4,-3.0 -5,-0.4 3,-0.7 0.892 114.0 23.8 -60.9-101.9 34.6 -12.9 -29.2 14 28 A K H 3>5S+ 0 0 119 1,-0.3 4,-1.4 2,-0.2 -3,-0.1 0.776 124.7 55.3 -31.8 -49.6 36.5 -15.7 -27.3 15 29 A K H >4< S+ 0 0 40 -4,-3.0 3,-1.0 1,-0.3 2,-0.5 0.769 80.5 79.5 -63.2 -25.9 38.5 -16.6 -31.2 18 32 A L T << S+ 0 0 92 -4,-1.4 -1,-0.3 -3,-1.1 -2,-0.1 0.078 91.8 56.9 -71.2 29.0 38.8 -20.3 -30.5 19 33 A T T < S+ 0 0 57 -3,-0.6 -1,-0.2 -2,-0.5 -2,-0.2 0.579 123.7 4.8-127.0 -35.9 39.3 -20.4 -34.3 20 34 A Q S X S+ 0 0 26 -3,-1.0 3,-1.6 -4,-0.4 -2,-0.1 0.720 130.9 39.8-117.3 -67.2 42.3 -18.1 -35.0 21 35 A E T 3 S+ 0 0 65 1,-0.3 -3,-0.1 -4,-0.2 4,-0.1 0.120 122.5 47.6 -77.6 25.3 44.0 -16.7 -31.9 22 36 A M T 3 S+ 0 0 97 -5,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.282 97.2 71.0-142.3 0.1 43.6 -20.0 -30.2 23 37 A K S < S- 0 0 131 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 -0.535 123.9 -46.1-122.8 66.0 44.8 -22.4 -33.0 24 38 A G >> - 0 0 51 -2,-0.2 3,-0.9 -3,-0.1 4,-0.9 0.990 59.6-176.1 72.5 76.4 48.6 -22.0 -33.2 25 39 A L T 34 S+ 0 0 87 1,-0.2 -1,-0.1 2,-0.2 -4,-0.0 0.556 77.3 68.7 -80.4 -10.1 49.3 -18.3 -33.3 26 40 A S T 34 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.317 116.5 27.1 -89.4 8.0 53.1 -18.7 -33.8 27 41 A A T X4 S+ 0 0 42 -3,-0.9 3,-1.7 -4,-0.1 -2,-0.2 0.390 94.3 94.3-140.9 -13.9 52.2 -20.0 -37.3 28 42 A L G >< S+ 0 0 22 -4,-0.9 3,-2.3 1,-0.3 8,-0.1 0.868 81.9 58.4 -53.5 -42.6 48.9 -18.2 -38.0 29 43 A P G 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.737 98.5 60.7 -62.1 -19.5 50.6 -15.4 -39.9 30 44 A L G < S+ 0 0 137 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.346 103.3 57.1 -86.2 4.8 52.0 -18.0 -42.2 31 45 A E < + 0 0 71 -3,-2.3 -1,-0.2 1,-0.1 -4,-0.1 -0.918 66.2 128.0-135.6 102.1 48.4 -18.8 -43.0 32 46 A E > + 0 0 108 -2,-0.4 5,-0.6 3,-0.1 -1,-0.1 0.612 37.7 90.8-132.5 -25.6 46.7 -15.6 -44.3 33 47 A R T 5S- 0 0 135 3,-0.1 4,-0.1 2,-0.1 -2,-0.0 0.909 107.4 -17.8 -38.3 -80.6 44.9 -16.2 -47.7 34 48 A R T >5S+ 0 0 164 2,-0.1 4,-1.6 3,-0.1 -1,-0.1 0.874 127.9 56.0-101.7 -60.8 41.4 -17.2 -46.9 35 49 A K H >>5S+ 0 0 95 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.886 109.2 47.5 -46.1 -54.8 40.9 -18.4 -43.3 36 50 A R H >>5S+ 0 0 45 1,-0.3 4,-3.3 2,-0.2 3,-0.8 0.931 112.6 50.7 -55.7 -46.0 42.2 -15.3 -41.7 37 51 A G H 3>S+ 0 0 26 -4,-1.1 4,-5.2 -3,-0.8 5,-0.6 0.909 112.9 62.3 -82.8 -49.3 37.3 -13.7 -39.6 40 54 A L H <5S+ 0 0 123 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.850 117.2 38.5 -43.0 -33.5 38.8 -10.4 -40.9 41 55 A N H >X5S+ 0 0 107 -4,-2.1 4,-4.8 -5,-0.2 3,-1.4 0.966 121.0 38.6 -79.6 -68.8 35.4 -10.5 -42.6 42 56 A A H 3X5S+ 0 0 43 -4,-2.7 4,-2.2 1,-0.3 5,-0.5 0.860 111.5 61.2 -52.9 -38.2 33.1 -12.0 -39.9 43 57 A I H 3X5S+ 0 0 82 -4,-5.2 4,-0.9 2,-0.2 -1,-0.3 0.835 119.8 27.6 -59.4 -31.5 34.9 -9.9 -37.3 44 58 A K H <>XS+ 0 0 106 -3,-1.4 4,-1.7 -5,-0.6 5,-0.5 0.866 117.3 58.4 -93.8 -48.5 33.8 -6.8 -39.2 45 59 A A H <5S+ 0 0 61 -4,-4.8 4,-0.3 -6,-0.2 -3,-0.2 0.718 118.5 34.2 -54.3 -23.4 30.7 -8.3 -40.8 46 60 A A H X5S+ 0 0 25 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.878 110.9 55.5 -99.6 -52.2 29.4 -8.9 -37.2 47 61 A L H <>S+ 0 0 76 -4,-0.9 5,-0.6 -5,-0.5 4,-0.3 0.900 116.1 38.5 -49.4 -49.9 30.7 -6.1 -35.0 48 62 A E T X5S+ 0 0 99 -4,-1.7 4,-1.1 3,-0.2 5,-0.5 0.964 121.4 42.1 -68.0 -55.2 29.2 -3.4 -37.1 49 63 A A H >X5S+ 0 0 22 -4,-2.6 4,-1.9 2,-0.2 3,-0.7 0.973 118.1 42.1 -55.1 -89.3 25.4 -6.5 -34.5 51 65 A L H 3>5S+ 0 0 72 -5,-0.3 4,-1.1 -4,-0.3 -1,-0.2 0.716 123.1 40.7 -32.4 -43.2 26.7 -4.1 -31.8 52 66 A E H 3XX S+ 0 0 77 -4,-1.1 4,-3.5 -5,-0.4 3,-2.2 0.979 112.6 39.2 -55.4 -84.0 22.1 -0.1 -30.0 56 70 A K H 3X S+ 0 0 115 -4,-1.9 4,-0.5 1,-0.3 -1,-0.2 0.733 112.6 63.2 -39.3 -28.4 20.1 2.1 -32.5 57 71 A A H 3< S+ 0 0 62 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.931 115.9 27.1 -64.8 -47.1 17.4 -0.4 -31.9 58 72 A L H XX>S+ 0 0 58 -3,-2.2 4,-3.1 -4,-1.9 3,-1.9 0.764 110.2 71.1 -84.4 -29.5 17.1 0.5 -28.2 59 73 A E H 3<5S+ 0 0 82 -4,-3.5 -1,-0.2 1,-0.3 -3,-0.2 0.719 112.8 33.0 -57.7 -18.4 18.4 4.0 -29.0 60 74 A E T 3<5S+ 0 0 125 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.243 118.4 55.8-119.1 6.3 14.9 4.2 -30.5 61 75 A A T <>5S+ 0 0 49 -3,-1.9 4,-1.2 3,-0.1 -2,-0.2 0.801 116.0 30.5-103.1 -49.4 13.3 1.9 -28.0 62 76 A A H >X5S+ 0 0 48 -4,-3.1 4,-1.6 2,-0.2 3,-0.8 0.964 118.6 53.4 -74.3 -55.3 14.1 3.6 -24.7 63 77 A L H 3> S+ 0 0 97 -6,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.856 99.4 53.9 -88.2 -41.5 10.7 6.2 -27.4 65 79 A E H - 0 0 0 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.200 30.1-121.4 -57.5 148.9 11.7 43.7 7.5 88 102 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 112.7 60.6 -62.3 -37.1 11.0 47.2 6.1 89 103 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.872 109.0 44.9 -56.4 -36.5 13.1 48.7 8.9 90 104 A T H > S+ 0 0 0 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.932 106.5 55.6 -75.3 -48.5 16.1 46.7 7.5 91 105 A L H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.950 116.3 40.9 -47.0 -49.7 15.5 47.5 3.9 92 106 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 3,-0.3 0.985 113.0 50.3 -61.6 -63.8 15.6 51.1 4.8 93 107 A E H X S+ 0 0 14 -4,-2.5 4,-3.5 1,-0.3 5,-0.3 0.896 110.7 52.8 -39.7 -52.9 18.5 51.0 7.3 94 108 A R H X S+ 0 0 52 -4,-3.0 4,-2.9 1,-0.3 -1,-0.3 0.921 110.5 45.8 -51.4 -52.5 20.5 49.1 4.7 95 109 A E H X S+ 0 0 51 -4,-2.0 4,-2.0 -3,-0.3 -1,-0.3 0.874 112.9 50.4 -61.9 -38.1 19.9 51.7 2.1 96 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.967 113.1 46.2 -64.8 -48.2 20.7 54.5 4.5 97 111 A V H X S+ 0 0 7 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.884 111.9 50.6 -59.5 -40.9 23.9 52.7 5.4 98 112 A E H X S+ 0 0 100 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.857 109.5 53.5 -66.9 -32.3 24.8 52.1 1.8 99 113 A I H < S+ 0 0 21 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.957 115.9 36.3 -67.6 -48.5 24.2 55.7 1.1 100 114 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.5 0.794 108.4 66.3 -74.8 -26.3 26.5 56.9 3.8 101 115 A R H ><5S+ 0 0 83 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.910 96.6 57.0 -57.2 -42.6 29.0 54.1 3.1 102 116 A A T 3<5S+ 0 0 90 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.589 102.7 54.8 -65.7 -11.2 29.6 55.7 -0.2 103 117 A L T < 5S- 0 0 39 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.345 129.2 -94.8-102.7 3.0 30.6 58.9 1.5 104 118 A G T < 5S+ 0 0 35 -3,-2.0 77,-0.3 1,-0.3 2,-0.2 0.649 74.6 148.2 95.6 16.0 33.2 57.0 3.6 105 119 A Y < - 0 0 8 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.3 -0.582 39.3-136.9 -88.3 148.7 31.2 56.3 6.7 106 120 A Q E -h 182 0B 37 75,-3.0 77,-3.0 -2,-0.2 2,-0.8 -0.836 12.7-135.5-103.1 139.3 31.7 53.3 8.9 107 121 A A E +h 183 0B 0 -2,-0.4 722,-0.3 75,-0.2 2,-0.3 -0.832 35.6 156.9-102.2 106.2 28.7 51.4 10.3 108 122 A V - 0 0 15 75,-1.2 2,-0.3 -2,-0.8 718,-0.1 -0.940 24.5-146.4-125.5 149.9 29.0 50.4 14.0 109 123 A E - 0 0 59 -2,-0.3 77,-0.1 75,-0.1 75,-0.0 -0.744 7.8-160.1-112.8 160.7 26.3 49.5 16.6 110 124 A G - 0 0 5 75,-0.4 2,-0.1 -2,-0.3 58,-0.1 -0.687 33.2 -73.1-128.3-178.5 26.0 50.1 20.3 111 125 A P - 0 0 25 0, 0.0 51,-0.1 0, 0.0 -1,-0.1 -0.408 22.5-144.5 -79.8 156.3 23.9 48.6 23.2 112 126 A E S S+ 0 0 8 1,-0.2 50,-2.1 -2,-0.1 2,-0.9 0.786 90.3 65.2 -87.0 -32.3 20.3 49.2 23.8 113 127 A V E S+N 161 0C 0 48,-0.2 48,-0.3 46,-0.0 -1,-0.2 -0.828 77.2 176.0 -95.0 102.2 20.6 49.2 27.6 114 128 A E E -N 160 0C 2 46,-1.0 46,-2.1 -2,-0.9 2,-0.3 -0.282 29.4-111.8 -98.9-177.0 22.7 52.2 28.5 115 129 A S E >> -N 159 0C 0 44,-0.2 4,-2.1 -2,-0.1 3,-0.8 -0.852 30.6-114.8-113.0 150.8 24.0 54.1 31.5 116 130 A E H 3>>S+ 0 0 30 42,-1.3 5,-1.8 -2,-0.3 4,-1.3 0.725 114.5 64.2 -59.1 -17.1 22.8 57.5 32.5 117 131 A F H 34>S+ 0 0 53 39,-0.3 5,-3.4 3,-0.2 6,-0.3 0.908 108.4 33.7 -74.0 -42.8 26.4 58.5 31.9 118 132 A F H <45S+ 0 0 0 -3,-0.8 52,-0.2 3,-0.2 -2,-0.2 0.778 121.3 48.2 -84.4 -26.6 26.5 57.8 28.1 119 133 A N H <5S- 0 0 0 -4,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.820 135.0 -4.5 -84.0 -30.6 22.9 58.7 27.4 120 134 A F T ><>S+ 0 0 0 -4,-1.3 3,-1.6 -5,-0.3 5,-1.2 0.641 124.9 50.1-124.4 -70.1 22.8 62.0 29.2 121 135 A D G > - 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0 0 23 -2,-0.9 2,-0.7 53,-0.2 53,-0.1 -0.009 7.2-142.6 -46.6 133.4 13.5 57.9 29.7 138 152 A F E -O 161 0C 0 23,-0.6 23,-1.6 51,-0.3 2,-0.3 -0.890 23.9-149.8 -96.6 111.3 12.6 54.2 30.4 139 153 A W E -O 160 0C 52 -2,-0.7 732,-1.9 21,-0.2 733,-0.4 -0.657 10.2-154.3 -89.3 141.9 14.3 53.4 33.7 140 154 A L E -P 870 0D 12 19,-1.7 2,-0.3 -2,-0.3 730,-0.2 -0.704 10.2-159.4-112.1 165.6 15.5 49.9 34.5 141 155 A T E +P 869 0D 60 728,-1.5 728,-2.3 -2,-0.2 2,-0.2 -0.944 28.2 139.8-145.5 116.8 16.2 47.8 37.6 142 156 A G > - 0 0 23 -2,-0.3 3,-0.7 726,-0.2 2,-0.4 -0.725 29.7-159.3-168.3 114.9 18.4 44.8 37.6 143 157 A E T 3 S+ 0 0 184 724,-0.3 3,-0.1 -2,-0.2 773,-0.1 -0.760 86.4 30.4 -93.2 134.6 21.0 43.2 40.0 144 158 A G T 3 S+ 0 0 54 -2,-0.4 2,-0.4 1,-0.4 -1,-0.2 0.361 87.2 128.3 100.2 -5.2 23.4 40.8 38.4 145 159 A F < - 0 0 21 -3,-0.7 2,-0.8 722,-0.2 -1,-0.4 -0.737 48.4-152.5 -86.5 130.8 23.3 42.6 35.1 146 160 A R - 0 0 129 770,-3.4 2,-0.3 -2,-0.4 772,-0.3 -0.803 11.8-174.1-109.6 91.8 26.7 43.5 33.8 147 161 A L - 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