==== 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 LIGASE 26-JAN-99 1B7Y . COMPND 2 MOLECULE: PROTEIN (PHENYLALANYL-TRNA SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR L.RESHETNIKOVA,N.MOOR,O.LAVRIK,D.G.VASSYLYEV . 1040 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 96 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 5 0 1 0 3 2 3 1 3 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 . 9 7 7 3 4 6 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 1 0 1 2 2 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 86 A V 0 0 173 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.8 3.1 16.8 -18.5 2 87 A D > + 0 0 92 1,-0.2 3,-0.7 2,-0.1 0, 0.0 -0.729 360.0 176.1 -84.1 102.4 1.1 19.8 -17.2 3 88 A V T 3 + 0 0 129 -2,-1.2 -1,-0.2 1,-0.2 4,-0.0 0.735 69.1 72.0 -79.7 -22.2 3.9 22.4 -16.8 4 89 A S T 3 S+ 0 0 103 -3,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.578 78.2 110.3 -70.2 -6.2 1.5 25.2 -15.8 5 90 A L S < S- 0 0 79 -3,-0.7 2,-0.1 1,-0.1 0, 0.0 -0.203 81.2 -92.9 -67.0 158.0 1.0 23.4 -12.4 6 91 A P - 0 0 71 0, 0.0 858,-0.1 0, 0.0 -1,-0.1 -0.446 41.0-134.5 -72.9 145.5 2.4 24.8 -9.1 7 92 A G - 0 0 55 1,-0.2 2,-0.4 -2,-0.1 854,-0.1 0.000 49.0 -46.6 -84.3-165.4 5.9 23.6 -8.1 8 93 A A - 0 0 56 854,-0.1 2,-0.5 1,-0.1 854,-0.2 -0.524 65.3-109.7 -69.5 120.1 7.0 22.4 -4.7 9 94 A S + 0 0 20 852,-2.8 2,-0.4 -2,-0.4 852,-0.2 -0.275 50.5 178.4 -50.8 99.6 5.8 24.8 -2.0 10 95 A L - 0 0 115 -2,-0.5 2,-0.2 850,-0.1 762,-0.1 -0.909 32.6-105.3-111.6 140.3 9.2 26.3 -1.1 11 96 A F - 0 0 27 -2,-0.4 2,-0.6 760,-0.1 762,-0.1 -0.426 26.8-156.4 -68.2 127.2 9.6 29.1 1.5 12 97 A S - 0 0 78 -2,-0.2 823,-0.1 760,-0.1 758,-0.1 -0.918 15.8-149.9-105.7 117.4 10.2 32.6 0.1 13 98 A G - 0 0 13 756,-0.7 761,-0.3 -2,-0.6 2,-0.3 -0.198 13.6-172.0 -80.5 173.5 11.9 34.8 2.7 14 99 A G B -a 774 0A 3 759,-1.7 761,-0.8 249,-0.1 2,-0.4 -0.911 17.5-119.9-152.9 177.4 11.7 38.5 3.1 15 100 A L - 0 0 13 -2,-0.3 249,-0.1 246,-0.2 246,-0.1 -0.972 30.9-103.8-131.4 146.6 13.2 41.4 5.1 16 101 A H > - 0 0 0 -2,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.435 29.2-124.7 -66.9 137.8 11.7 43.8 7.5 17 102 A P H > S+ 0 0 0 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.786 111.3 55.6 -52.0 -35.7 11.2 47.3 6.0 18 103 A I H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.925 108.3 47.6 -66.5 -43.9 13.2 48.9 8.8 19 104 A T H > S+ 0 0 3 -3,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.925 113.5 50.2 -60.8 -42.8 16.2 46.6 7.9 20 105 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.954 114.1 41.8 -60.1 -51.9 15.6 47.6 4.3 21 106 A M H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.892 113.5 53.9 -64.0 -39.2 15.6 51.3 5.1 22 107 A E H X S+ 0 0 9 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.988 109.5 48.4 -55.1 -59.6 18.5 50.9 7.5 23 108 A R H X S+ 0 0 52 -4,-3.3 4,-3.1 1,-0.2 -1,-0.2 0.840 111.8 48.8 -48.6 -44.3 20.5 49.2 4.7 24 109 A E H X S+ 0 0 53 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.954 111.8 47.8 -64.4 -48.7 19.7 51.8 2.2 25 110 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.902 115.3 47.6 -57.8 -42.7 20.6 54.7 4.5 26 111 A V H X S+ 0 0 2 -4,-3.0 4,-3.2 -5,-0.2 5,-0.3 0.961 107.8 51.7 -64.1 -55.5 23.8 52.9 5.4 27 112 A E H X S+ 0 0 101 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.943 109.8 55.1 -48.3 -46.9 24.8 52.1 1.8 28 113 A I H >< S+ 0 0 23 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.938 113.6 36.4 -50.4 -58.7 24.3 55.8 1.1 29 114 A F H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-2.0 0.807 105.9 68.0 -68.3 -30.0 26.7 57.0 3.9 30 115 A R H ><5S+ 0 0 41 -4,-3.2 3,-2.2 1,-0.3 -1,-0.2 0.916 95.5 59.7 -53.0 -40.7 29.1 54.2 3.3 31 116 A A T <<5S+ 0 0 87 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.590 101.0 52.2 -66.0 -13.1 29.7 55.9 -0.1 32 117 A L T < 5S- 0 0 41 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.265 130.4 -96.2-104.5 9.8 30.9 59.1 1.6 33 118 A G T < 5S+ 0 0 37 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.735 75.6 145.4 86.5 24.1 33.3 57.0 3.6 34 119 A Y < - 0 0 9 -5,-2.1 2,-0.4 -8,-0.2 -1,-0.3 -0.678 37.6-142.8 -93.2 151.6 31.3 56.5 6.8 35 120 A Q E -h 111 0B 37 75,-1.7 77,-2.5 -2,-0.3 2,-0.5 -0.940 11.7-127.5-117.6 137.9 31.5 53.3 8.8 36 121 A A E +h 112 0B 1 -2,-0.4 722,-0.3 75,-0.2 2,-0.3 -0.726 34.8 162.5 -91.1 127.1 28.6 51.6 10.5 37 122 A V - 0 0 20 75,-1.8 2,-0.3 -2,-0.5 718,-0.1 -0.974 22.5-137.9-140.1 151.4 28.9 50.6 14.2 38 123 A E - 0 0 51 -2,-0.3 77,-0.1 75,-0.1 75,-0.0 -0.804 8.8-160.8-116.9 154.9 26.4 49.7 16.9 39 124 A G - 0 0 7 75,-0.4 2,-0.3 -2,-0.3 4,-0.0 -0.522 34.3 -81.2-117.2-175.0 25.9 50.4 20.5 40 125 A P - 0 0 26 0, 0.0 51,-0.1 0, 0.0 57,-0.1 -0.679 20.3-144.3 -92.4 146.4 23.9 48.8 23.4 41 126 A E S S+ 0 0 11 -2,-0.3 50,-2.9 1,-0.1 2,-0.7 0.850 92.7 63.4 -74.7 -36.0 20.2 49.3 24.0 42 127 A V E S+O 90 0C 0 48,-0.2 48,-0.2 46,-0.0 2,-0.2 -0.834 77.7 172.4 -93.7 114.7 20.7 49.3 27.8 43 128 A E E -O 89 0C 1 46,-1.4 46,-1.8 -2,-0.7 2,-0.3 -0.562 33.0-106.0-115.5 176.3 22.8 52.3 28.7 44 129 A S E >> -O 88 0C 0 44,-0.2 4,-2.2 -2,-0.2 3,-0.7 -0.810 30.4-118.9-103.9 145.4 24.1 54.2 31.8 45 130 A E H 3>>S+ 0 0 22 42,-1.6 4,-2.1 -2,-0.3 5,-1.8 0.799 114.0 64.6 -52.3 -25.8 22.7 57.6 32.7 46 131 A F H 34>S+ 0 0 45 39,-0.2 5,-4.2 3,-0.2 6,-0.3 0.924 107.5 34.1 -64.9 -49.3 26.3 58.7 32.2 47 132 A F H <45S+ 0 0 0 -3,-0.7 5,-0.2 3,-0.2 52,-0.2 0.804 121.2 48.6 -77.6 -32.7 26.5 58.0 28.4 48 133 A N H <5S- 0 0 0 -4,-2.2 -2,-0.2 3,-0.1 -3,-0.2 0.875 136.4 -4.2 -77.2 -37.8 22.9 58.8 27.7 49 134 A F T <>S+ 0 0 0 -4,-2.1 5,-1.6 -5,-0.3 -3,-0.2 0.732 127.5 51.1-120.8 -61.4 22.8 62.2 29.5 50 135 A D T > S- 0 0 78 1,-0.1 3,-0.8 552,-0.0 4,-0.7 -0.615 90.5 -94.3-106.1 167.6 17.3 71.4 34.3 59 144 A P T 34 S+ 0 0 25 0, 0.0 3,-0.2 0, 0.0 370,-0.1 0.681 116.4 65.0 -47.1 -24.5 14.8 71.7 31.3 60 145 A A T >4 S+ 0 0 4 1,-0.2 3,-2.1 2,-0.2 4,-0.5 0.961 94.8 53.5 -66.8 -53.2 17.1 69.7 29.1 61 146 A R T <4 S+ 0 0 21 -3,-0.8 3,-0.4 -6,-0.4 -1,-0.2 0.728 104.6 65.7 -53.2 -17.9 16.8 66.4 31.0 62 147 A D T 3< S+ 0 0 62 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.130 80.8 71.4 -93.8 15.6 13.1 67.1 30.4 63 148 A M S < S+ 0 0 63 -3,-2.1 2,-0.5 1,-0.2 -1,-0.2 0.660 94.9 58.9 -98.9 -23.4 12.9 66.8 26.6 64 149 A W S S- 0 0 22 -4,-0.5 2,-1.1 -3,-0.4 -1,-0.2 -0.940 74.5-148.9-111.9 114.6 13.4 62.9 26.7 65 150 A D - 0 0 86 -2,-0.5 55,-2.8 -3,-0.1 56,-0.2 -0.726 33.5-151.6 -84.7 100.0 10.8 60.8 28.7 66 151 A T - 0 0 14 -2,-1.1 2,-0.7 53,-0.2 53,-0.1 -0.296 20.1-135.4 -84.8 158.0 13.0 58.0 29.9 67 152 A F - 0 0 1 23,-0.4 23,-1.3 51,-0.2 2,-0.3 -0.914 26.7-157.2-106.4 107.5 12.6 54.3 30.8 68 153 A W B -P 89 0C 41 -2,-0.7 732,-2.6 21,-0.2 733,-0.6 -0.620 7.7-150.5 -88.8 147.5 14.4 53.6 34.0 69 154 A L E -Q 799 0D 11 19,-2.1 2,-0.3 -2,-0.3 19,-0.3 -0.700 12.5-171.6-114.9 166.1 15.6 50.0 34.8 70 155 A T E +Q 798 0D 62 728,-1.9 728,-3.1 -2,-0.2 2,-0.2 -0.976 30.6 102.7-150.2 155.4 16.2 47.9 37.9 71 156 A G - 0 0 34 -2,-0.3 3,-0.3 726,-0.2 2,-0.3 -0.511 49.9-114.8 140.3 150.1 17.7 44.5 38.6 72 157 A E S S+ 0 0 177 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.716 83.4 36.4-114.7 165.1 21.0 43.1 39.8 73 158 A G S S+ 0 0 43 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.541 77.0 137.1 76.7 5.1 23.8 41.1 38.5 74 159 A F - 0 0 26 -3,-0.3 2,-0.7 722,-0.1 -1,-0.3 -0.766 45.7-147.4 -87.0 125.5 23.4 42.8 35.1 75 160 A R - 0 0 86 770,-3.9 2,-0.5 -2,-0.6 772,-0.4 -0.828 9.6-164.2 -99.5 115.3 26.8 43.7 33.7 76 161 A L - 0 0 12 -2,-0.7 8,-1.3 8,-0.3 2,-0.3 -0.858 13.8-143.8 -99.0 127.4 27.0 46.8 31.6 77 162 A E B -T 83 0E 86 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.707 6.6-142.9 -94.3 139.8 30.2 47.1 29.5 78 163 A G > - 0 0 5 4,-3.2 3,-2.6 -2,-0.3 -1,-0.0 -0.363 42.4 -83.0 -90.6 174.8 32.1 50.4 28.8 79 164 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.800 132.3 39.9 -47.9 -31.0 33.8 51.4 25.6 80 165 A L T 3 S- 0 0 89 2,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.239 125.1 -94.1-105.6 14.7 36.8 49.4 26.7 81 166 A G S < S+ 0 0 37 -3,-2.6 2,-0.2 1,-0.3 -4,-0.0 0.747 84.9 132.6 80.5 23.1 35.2 46.4 28.2 82 167 A E - 0 0 35 -4,-0.0 -4,-3.2 1,-0.0 2,-0.4 -0.653 64.1-103.9-101.7 160.8 35.3 47.9 31.7 83 168 A E B -T 77 0E 90 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.722 39.4-164.2 -87.8 137.2 32.3 47.9 34.0 84 169 A V - 0 0 21 -8,-1.3 -8,-0.3 -2,-0.4 2,-0.3 -0.808 5.8-140.6-118.1 161.3 30.7 51.3 34.3 85 170 A E + 0 0 156 -2,-0.3 -39,-0.2 -41,-0.0 2,-0.2 -0.836 40.9 105.8-120.9 159.1 28.2 52.7 36.8 86 171 A G S S- 0 0 42 -2,-0.3 2,-0.2 -41,-0.1 -2,-0.0 -0.695 76.9 -59.6 148.8 160.7 25.2 54.9 36.6 87 172 A R - 0 0 128 -2,-0.2 -42,-1.6 1,-0.1 -41,-0.1 -0.513 64.9-119.6 -65.6 131.3 21.4 54.4 37.0 88 173 A L E +O 44 0C 36 -19,-0.3 -19,-2.1 -2,-0.2 2,-0.3 -0.418 45.6 150.6 -75.4 151.6 20.5 52.0 34.2 89 174 A L E -OP 43 68C 0 -46,-1.8 -46,-1.4 -21,-0.3 2,-0.6 -0.918 49.7 -86.8-160.5-178.4 18.0 52.9 31.5 90 175 A L E -O 42 0C 3 -23,-1.3 -23,-0.4 -2,-0.3 -48,-0.2 -0.936 59.6 -96.8-105.0 122.5 17.0 52.3 27.9 91 176 A R - 0 0 3 -50,-2.9 27,-2.5 -2,-0.6 3,-0.1 -0.100 30.5-155.8 -44.0 124.1 19.0 54.5 25.5 92 177 A T S S- 0 0 0 25,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.655 74.8 -7.1 -78.2 -21.1 16.8 57.5 24.7 93 178 A H S S- 0 0 3 23,-0.1 25,-0.1 24,-0.1 -1,-0.1 -0.892 78.2-101.9-160.0 177.7 18.6 58.2 21.4 94 179 A T S > S+ 0 0 0 -2,-0.3 3,-2.6 1,-0.2 4,-0.3 0.692 91.7 100.8 -87.9 -16.9 21.6 56.8 19.7 95 180 A S T >> + 0 0 3 1,-0.3 3,-3.2 2,-0.2 4,-0.8 0.760 64.5 74.0 -36.1 -44.1 23.9 59.8 20.7 96 181 A P H >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.859 88.1 63.1 -42.7 -37.7 25.5 57.9 23.6 97 182 A M H <> S+ 0 0 21 -3,-2.6 4,-2.3 1,-0.3 5,-0.3 0.752 88.4 69.6 -60.4 -24.4 27.4 55.9 20.9 98 183 A Q H <> S+ 0 0 3 -3,-3.2 4,-2.0 -4,-0.3 -1,-0.3 0.929 107.6 38.7 -55.8 -45.4 29.1 59.2 19.9 99 184 A V H - J 0 226B 2 86,-2.5 86,-1.7 -2,-0.4 3,-1.4 -0.916 65.5 -74.0 175.9 161.4 38.6 65.7 12.5 141 226 A E T 3 S+ 0 0 171 -2,-0.3 84,-0.1 1,-0.2 3,-0.1 -0.473 116.7 21.8 -69.6 135.0 40.7 68.8 12.4 142 227 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 -2,-0.2 85,-0.1 0.278 82.1 149.5 92.2 -15.5 39.3 71.4 10.1 143 228 A I < + 0 0 4 -3,-1.4 -1,-0.3 83,-0.1 2,-0.3 -0.274 21.8 177.3 -55.4 137.9 35.7 70.0 10.1 144 229 A A >> - 0 0 4 537,-0.1 4,-0.8 82,-0.1 3,-0.6 -0.802 43.9 -99.5-135.3 175.4 33.2 72.8 9.7 145 230 A M H >> S+ 0 0 4 535,-1.6 4,-2.9 -2,-0.3 3,-0.8 0.854 115.6 67.1 -68.7 -35.7 29.5 73.2 9.3 146 231 A A H 3> S+ 0 0 4 535,-1.9 4,-3.0 1,-0.3 595,-1.8 0.828 99.6 55.0 -54.0 -30.2 29.6 73.5 5.6 147 232 A H H <> S+ 0 0 34 -3,-0.6 4,-2.9 2,-0.2 -1,-0.3 0.858 106.8 47.7 -70.6 -37.2 30.7 69.8 5.7 148 233 A L H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 3,-1.6 0.991 112.8 49.8 -61.3 -59.4 18.9 64.2 -0.1 157 242 A Q H 3< S+ 0 0 36 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.923 111.4 50.9 -42.4 -53.5 20.3 63.9 -3.6 158 243 A A H 3< S+ 0 0 55 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.788 118.3 37.4 -58.5 -28.5 20.8 60.2 -2.9 159 244 A L H << S- 0 0 9 -3,-1.6 2,-0.3 -4,-1.4 -2,-0.2 0.816 137.2 -10.4 -92.3 -38.5 17.2 59.8 -1.6 160 245 A F S < S+ 0 0 17 -4,-3.1 -1,-0.3 -5,-0.1 4,-0.2 -0.833 103.3 8.0-145.6 176.0 15.3 62.0 -4.0 161 246 A G - 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