==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-JAN-03 1NTG . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-L.YANG,R.J.SKENE,D.E.MCREE,P.SCHIMMEL . 684 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 33.3 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 68 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 4.1 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 9 20 12 2 10 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 ANTIPARALLEL BRIDGES PER LADDER . 4 14 2 0 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 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 2 A P 0 0 188 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-169.7 10.6 31.8 -9.8 2 3 A E - 0 0 134 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.593 360.0 -96.3 -79.6 135.7 12.6 28.9 -8.5 3 4 A E - 0 0 135 -2,-0.3 2,-1.0 1,-0.1 -1,-0.1 -0.210 30.4-137.7 -53.4 132.6 14.1 26.5 -11.1 4 5 A V + 0 0 54 -3,-0.1 -1,-0.1 127,-0.1 -2,-0.0 -0.807 43.0 150.8 -97.1 95.9 11.9 23.4 -11.7 5 6 A I > - 0 0 29 -2,-1.0 3,-2.0 1,-0.1 4,-0.1 -0.925 56.3-116.2-127.0 152.8 14.3 20.5 -11.9 6 7 A P G > S+ 0 0 6 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.721 106.0 75.8 -59.8 -22.4 14.0 16.8 -11.1 7 8 A S G 3 S+ 0 0 12 1,-0.3 4,-0.1 111,-0.1 -3,-0.0 0.679 81.7 73.0 -65.2 -10.3 16.6 17.0 -8.3 8 9 A R G < S+ 0 0 22 -3,-2.0 111,-2.2 110,-0.2 2,-0.4 0.591 83.1 83.0 -78.6 -8.2 13.8 18.7 -6.3 9 10 A L S < S- 0 0 5 -3,-2.1 2,-1.0 109,-0.2 55,-0.0 -0.768 76.0-140.5 -96.3 140.4 12.1 15.3 -6.0 10 11 A D + 0 0 30 -2,-0.4 55,-3.9 109,-0.1 56,-0.5 -0.822 35.2 169.4-100.5 94.1 13.2 12.9 -3.3 11 12 A I E +AB 64 108A 3 -2,-1.0 97,-2.5 97,-0.5 2,-0.3 -0.914 3.9 169.3-113.8 134.1 13.0 9.5 -5.0 12 13 A R E -AB 63 107A 44 51,-2.2 51,-3.1 -2,-0.4 2,-0.2 -0.934 38.7-101.0-139.6 162.0 14.4 6.3 -3.7 13 14 A V E -A 62 0A 0 93,-2.0 92,-3.1 -2,-0.3 2,-0.3 -0.567 46.7-173.2 -77.7 141.7 14.5 2.6 -4.3 14 15 A G E -A 61 0A 0 47,-3.0 47,-2.9 90,-0.2 2,-0.4 -0.922 22.2-141.5-137.2 163.1 12.1 0.8 -1.9 15 16 A K E -AC 60 34A 82 19,-1.6 19,-2.8 -2,-0.3 2,-0.7 -0.982 21.6-130.7-129.2 119.4 11.1 -2.8 -1.0 16 17 A I E + C 0 33A 0 43,-2.6 42,-1.9 -2,-0.4 17,-0.3 -0.562 26.8 178.2 -70.4 111.6 7.5 -3.6 -0.3 17 18 A I E + 0 0 21 15,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.829 66.8 9.5 -84.6 -35.1 7.6 -5.5 3.0 18 19 A T E - C 0 32A 37 14,-1.3 14,-1.8 39,-0.1 2,-0.4 -0.997 60.0-168.9-147.6 147.6 3.9 -6.0 3.3 19 20 A V E + C 0 31A 8 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.993 13.3 162.3-140.5 129.3 0.8 -5.6 1.1 20 21 A E E - C 0 30A 114 10,-1.8 10,-3.2 -2,-0.4 2,-0.1 -0.981 42.6 -97.1-143.6 151.6 -2.9 -5.8 2.1 21 22 A K E - C 0 29A 104 -2,-0.3 8,-0.3 8,-0.2 5,-0.1 -0.399 50.3 -97.2 -68.1 146.0 -6.1 -4.6 0.5 22 23 A H > - 0 0 10 6,-3.0 3,-1.0 3,-0.3 6,-0.1 -0.420 26.1-134.6 -65.2 136.4 -7.4 -1.3 1.7 23 24 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 0.900 102.4 28.3 -57.5 -46.1 -10.2 -1.7 4.4 24 25 A D T 3 S+ 0 0 128 49,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.336 115.4 64.1-114.7 49.3 -12.5 0.9 2.8 25 26 A A < - 0 0 20 -3,-1.0 -3,-0.3 3,-0.1 3,-0.3 -0.789 55.2-155.6-173.0 126.9 -11.5 0.7 -0.9 26 27 A D S S+ 0 0 143 -2,-0.2 -1,-0.1 1,-0.2 -5,-0.0 0.695 97.3 42.8 -77.2 -22.7 -11.7 -1.9 -3.7 27 28 A S S S+ 0 0 49 21,-0.1 21,-1.4 22,-0.1 2,-0.3 0.434 98.2 88.5-105.8 1.4 -8.9 -0.6 -5.8 28 29 A L - 0 0 10 -3,-0.3 -6,-3.0 18,-0.2 2,-0.3 -0.785 50.4-164.3-110.2 144.9 -6.3 0.3 -3.2 29 30 A Y E -CD 21 45A 4 16,-2.3 16,-2.1 -2,-0.3 2,-0.5 -0.887 13.3-146.2-115.3 150.1 -3.5 -1.6 -1.5 30 31 A V E -CD 20 44A 21 -10,-3.2 -10,-1.8 -2,-0.3 2,-0.3 -0.984 25.4-175.9-117.4 122.5 -1.8 -0.4 1.6 31 32 A E E -CD 19 43A 0 12,-3.8 12,-2.6 -2,-0.5 2,-0.5 -0.785 29.8-141.0-120.7 165.5 1.9 -1.3 1.9 32 33 A K E -CD 18 42A 73 -14,-1.8 -15,-2.9 -2,-0.3 -14,-1.3 -0.996 31.6-169.4-118.6 118.4 4.8 -1.0 4.3 33 34 A I E -CD 16 41A 1 8,-3.1 8,-2.3 -2,-0.5 2,-0.7 -0.959 22.7-135.1-120.9 129.8 7.8 -0.1 2.2 34 35 A D E +C 15 0A 53 -19,-2.8 -19,-1.6 -2,-0.5 71,-0.3 -0.711 26.8 172.5 -79.3 113.4 11.4 -0.1 3.4 35 36 A V - 0 0 2 -2,-0.7 -1,-0.2 -21,-0.2 -22,-0.1 0.177 65.2 -90.2-106.8 14.0 12.8 3.2 2.0 36 37 A G S S+ 0 0 48 1,-0.3 2,-0.1 -21,-0.1 -2,-0.1 0.529 93.6 118.8 89.7 6.6 16.1 2.8 3.9 37 38 A E S S- 0 0 65 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 -0.319 81.9 -93.0 -95.5-178.3 14.9 4.6 6.9 38 39 A A S S+ 0 0 70 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.1 0.990 111.7 25.3 -57.3 -64.7 14.4 3.5 10.5 39 40 A E S S- 0 0 124 -4,-0.0 -4,-0.2 1,-0.0 -2,-0.2 -0.818 93.3-107.1-105.7 142.3 10.8 2.4 10.1 40 41 A P - 0 0 36 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.378 38.1-117.7 -65.8 141.5 9.2 1.4 6.8 41 42 A R E -D 33 0A 38 -8,-2.3 -8,-3.1 -2,-0.1 2,-0.5 -0.434 17.9-120.9 -79.9 154.8 6.8 3.9 5.3 42 43 A T E -D 32 0A 25 -10,-0.2 36,-3.4 -2,-0.1 2,-0.4 -0.862 34.9-174.6 -96.0 125.8 3.1 3.3 4.8 43 44 A V E -D 31 0A 0 -12,-2.6 -12,-3.8 -2,-0.5 2,-0.6 -0.989 16.7-155.5-130.0 130.4 2.1 3.6 1.1 44 45 A V E -D 30 0A 0 35,-0.5 2,-0.4 -2,-0.4 -14,-0.2 -0.909 19.3-178.5-105.8 119.1 -1.4 3.4 -0.5 45 46 A S E -D 29 0A 8 -16,-2.1 -16,-2.3 -2,-0.6 2,-1.9 -0.958 31.1-136.5-124.2 135.3 -1.4 2.4 -4.2 46 47 A G S S+ 0 0 16 -2,-0.4 -18,-0.2 -18,-0.2 -2,-0.0 -0.490 72.1 108.3 -86.0 71.3 -4.3 2.1 -6.7 47 48 A L >> + 0 0 0 -2,-1.9 4,-3.1 -20,-0.1 3,-2.1 0.387 32.4 107.2-125.9 0.5 -3.0 -1.2 -8.2 48 49 A V T 34 S+ 0 0 24 -21,-1.4 5,-0.1 -3,-0.4 -20,-0.1 0.888 90.7 40.3 -48.1 -47.2 -5.5 -3.8 -6.9 49 50 A Q T 34 S+ 0 0 147 -22,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.455 122.5 43.9 -84.1 1.4 -7.1 -4.2 -10.3 50 51 A F T <4 S+ 0 0 81 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.808 115.6 28.1-110.1 -49.9 -3.8 -3.9 -12.1 51 52 A V S < S- 0 0 11 -4,-3.1 -1,-0.3 43,-0.0 2,-0.1 -0.961 79.9-115.0-123.1 134.2 -1.2 -6.1 -10.3 52 53 A P > - 0 0 57 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.413 29.7-115.3 -67.6 138.9 -1.8 -9.2 -8.2 53 54 A K G >> S+ 0 0 87 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.757 113.9 59.0 -40.1 -36.6 -0.9 -9.0 -4.5 54 55 A E G 34 S+ 0 0 159 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.677 96.8 59.1 -73.4 -19.7 1.8 -11.6 -5.0 55 56 A E G <4 S+ 0 0 106 -3,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.315 107.3 47.9 -92.6 9.4 3.8 -9.5 -7.6 56 57 A L T X4 S+ 0 0 0 -3,-1.1 3,-1.6 -4,-0.3 2,-0.3 0.544 84.4 107.0-116.3 -21.4 4.1 -6.7 -5.1 57 58 A Q T 3< S- 0 0 45 -4,-0.8 -40,-0.1 1,-0.3 3,-0.1 -0.448 101.8 -8.7 -65.1 124.1 5.3 -8.8 -2.1 58 59 A D T 3 S+ 0 0 94 -42,-1.9 -1,-0.3 -2,-0.3 2,-0.2 0.600 101.2 151.3 64.3 12.2 9.0 -8.2 -1.5 59 60 A R < - 0 0 59 -3,-1.6 -43,-2.6 -43,-0.2 2,-0.4 -0.524 47.6-126.3 -80.9 141.5 9.2 -6.3 -4.7 60 61 A L E +A 15 0A 48 -45,-0.2 -45,-0.3 -2,-0.2 2,-0.2 -0.704 40.8 169.0 -84.6 132.1 11.7 -3.5 -5.3 61 62 A V E -A 14 0A 0 -47,-2.9 -47,-3.0 -2,-0.4 2,-0.6 -0.785 37.4-105.4-135.9 178.2 10.0 -0.3 -6.4 62 63 A V E -A 13 0A 1 34,-0.5 20,-3.1 20,-0.4 2,-0.5 -0.946 36.7-165.2-114.0 119.8 10.6 3.4 -6.9 63 64 A V E -AE 12 81A 3 -51,-3.1 -51,-2.2 -2,-0.6 2,-0.7 -0.896 20.8-144.5-116.5 129.3 9.2 5.8 -4.3 64 65 A L E +AE 11 80A 0 16,-3.2 16,-1.6 -2,-0.5 3,-0.2 -0.758 27.5 176.3 -82.6 118.9 8.6 9.5 -4.3 65 66 A C + 0 0 5 -55,-3.9 -1,-0.1 -2,-0.7 -54,-0.1 0.604 58.0 67.9-106.7 -11.4 9.3 10.4 -0.7 66 67 A N + 0 0 6 -56,-0.5 56,-3.0 2,-0.1 2,-0.3 -0.022 69.7 118.6-101.9 35.5 9.1 14.2 -0.3 67 68 A L B S-f 122 0B 45 -3,-0.2 56,-0.1 54,-0.2 3,-0.1 -0.726 77.0 -98.8 -94.7 146.9 5.3 14.6 -0.8 68 69 A K - 0 0 94 54,-0.6 11,-0.1 -2,-0.3 9,-0.1 -0.482 49.1-107.8 -64.5 123.9 3.1 16.0 1.9 69 70 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.168 44.3-175.5 -52.1 147.6 1.5 13.0 3.6 70 71 A Q E -G 77 0C 119 7,-1.7 7,-2.6 9,-0.1 2,-0.4 -0.965 27.8-119.4-153.5 134.4 -2.2 12.6 2.9 71 72 A K E -G 76 0C 152 -2,-0.3 2,-0.7 5,-0.3 5,-0.3 -0.585 25.1-162.4 -74.5 123.1 -5.0 10.2 4.0 72 73 A M E > S-G 75 0C 18 3,-4.2 3,-1.5 -2,-0.4 -1,-0.0 -0.922 76.2 -23.9-110.5 107.3 -6.4 8.2 1.1 73 74 A R T 3 S- 0 0 159 -2,-0.7 -49,-0.3 1,-0.3 -1,-0.2 0.845 132.9 -43.4 61.1 34.0 -9.8 6.7 2.0 74 75 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -51,-0.1 -1,-0.3 -0.024 120.6 100.8 104.4 -32.1 -8.8 6.9 5.7 75 76 A V E < S-G 72 0C 35 -3,-1.5 -3,-4.2 -5,-0.0 2,-0.6 -0.758 70.8-128.5 -93.6 133.2 -5.3 5.6 5.5 76 77 A E E -G 71 0C 94 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.696 19.2-151.7 -83.4 118.6 -2.4 8.1 5.6 77 78 A S E -G 70 0C 3 -7,-2.6 -7,-1.7 -2,-0.6 -34,-0.2 -0.775 10.2-168.8 -91.5 129.6 0.0 7.6 2.7 78 79 A Q - 0 0 63 -36,-3.4 2,-0.3 -2,-0.5 -35,-0.1 -0.097 69.7 -10.9-107.9 31.9 3.6 8.6 3.5 79 80 A G - 0 0 3 -9,-0.2 -35,-0.5 -11,-0.1 2,-0.3 -0.897 68.4-113.6 158.4 175.3 4.8 8.4 -0.1 80 81 A M E -E 64 0A 21 -16,-1.6 -16,-3.2 -2,-0.3 2,-0.3 -1.000 19.0-119.4-145.7 143.3 3.9 7.2 -3.6 81 82 A L E -E 63 0A 5 -2,-0.3 2,-0.5 -18,-0.2 -18,-0.2 -0.587 28.3-130.5 -77.3 133.3 5.1 4.6 -6.0 82 83 A L - 0 0 5 -20,-3.1 14,-2.3 -2,-0.3 -20,-0.4 -0.769 36.2-177.3 -84.8 130.4 6.2 5.9 -9.4 83 84 A C E -HI 95 169D 2 86,-2.6 86,-2.7 -2,-0.5 2,-0.4 -0.867 28.0-126.1-127.4 161.4 4.5 4.0 -12.1 84 85 A A E +HI 94 168D 0 10,-3.6 10,-2.1 -2,-0.3 2,-0.3 -0.839 38.3 176.3-103.0 142.5 4.5 3.8 -15.9 85 86 A S E -HI 93 167D 4 82,-2.4 82,-3.7 -2,-0.4 2,-0.4 -0.999 25.9-171.3-153.8 150.5 1.1 4.2 -17.5 86 87 A I E -H 92 0D 46 6,-1.8 6,-1.2 -2,-0.3 2,-1.1 -0.993 21.9-140.8-138.0 126.3 -0.7 4.5 -20.9 87 88 A E E +H 91 0D 155 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.773 44.9 144.5 -93.9 96.9 -4.4 5.3 -21.1 88 89 A G S S- 0 0 29 2,-1.7 3,-0.1 -2,-1.1 4,-0.0 0.102 76.1 -45.3-103.4-142.8 -5.7 3.1 -23.9 89 90 A I S S+ 0 0 166 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.850 140.7 13.4 -58.4 -32.9 -9.1 1.4 -24.2 90 91 A N S S- 0 0 126 -4,-0.1 -2,-1.7 0, 0.0 -1,-0.1 -0.920 103.9 -89.3-135.8 157.3 -8.4 0.5 -20.6 91 92 A R E -H 87 0D 96 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.392 38.1-157.9 -69.1 150.1 -5.8 2.0 -18.3 92 93 A Q E +H 86 0D 97 -6,-1.2 -6,-1.8 2,-0.0 2,-0.4 -0.995 15.2 174.6-132.7 124.6 -2.4 0.2 -18.3 93 94 A V E +H 85 0D 13 -2,-0.4 -8,-0.2 -8,-0.2 -10,-0.0 -0.991 12.6 171.4-137.5 141.3 -0.1 0.5 -15.3 94 95 A E E -H 84 0D 27 -10,-2.1 -10,-3.6 -2,-0.4 2,-0.1 -0.987 35.6-117.5-143.2 134.5 3.2 -1.0 -14.3 95 96 A P E -H 83 0D 3 0, 0.0 66,-0.3 0, 0.0 -12,-0.3 -0.482 39.8-103.7 -72.5 148.0 5.3 0.1 -11.3 96 97 A L - 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