==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-FEB-02 1L0W . COMPND 2 MOLECULE: ASPARTYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.D.NG,C.SAUTER,B.LORBER,N.KIRKLAND,J.ARNEZ,R.GIEGE . 1160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 234 20.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 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 . 85 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 12 0 3 3 4 4 0 2 0 2 0 0 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 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 . 13 4 5 2 4 4 8 0 2 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 . 1 0 2 2 2 0 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 1 A M 0 0 95 0, 0.0 825,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.8 -10.3 -30.4 -65.1 2 2 A R - 0 0 78 1,-0.1 824,-0.1 2,-0.1 2,-0.1 -0.003 360.0-115.6 -40.3 135.8 -10.1 -32.4 -61.9 3 3 A R - 0 0 30 822,-0.2 18,-0.2 1,-0.1 3,-0.1 -0.371 13.6-151.7 -73.0 157.0 -10.0 -30.0 -58.9 4 4 A T S S+ 0 0 68 16,-2.5 2,-0.3 1,-0.3 17,-0.1 0.748 75.1 3.2-100.0 -32.2 -7.0 -30.0 -56.6 5 5 A H S S- 0 0 42 15,-1.0 17,-0.3 5,-0.0 -1,-0.3 -0.956 78.9 -97.2-147.2 163.5 -8.7 -29.0 -53.4 6 6 A Y > - 0 0 45 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.660 42.7-120.5 -78.4 144.1 -12.1 -28.3 -52.0 7 7 A A G > S+ 0 0 0 15,-0.3 3,-1.2 -2,-0.3 38,-0.1 0.924 109.9 48.4 -53.5 -50.5 -12.6 -24.5 -52.1 8 8 A G G 3 S+ 0 0 6 36,-0.4 -1,-0.3 1,-0.2 37,-0.2 0.442 98.4 72.2 -74.6 5.8 -13.2 -24.1 -48.3 9 9 A S G < + 0 0 44 -3,-1.7 -1,-0.2 35,-0.1 -2,-0.2 0.563 65.9 118.6 -95.7 -9.6 -10.1 -26.2 -47.5 10 10 A L < + 0 0 1 -3,-1.2 2,-0.3 -4,-0.4 80,-0.2 -0.297 38.8 173.0 -61.3 137.4 -7.4 -23.7 -48.5 11 11 A R > - 0 0 92 78,-0.1 3,-2.8 77,-0.1 4,-0.2 -0.854 51.4 -88.4-139.6 172.2 -5.1 -22.6 -45.7 12 12 A E G > S+ 0 0 86 1,-0.3 3,-1.1 -2,-0.3 65,-0.1 0.737 121.1 68.8 -55.5 -21.6 -2.0 -20.5 -45.1 13 13 A T G 3 S+ 0 0 118 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.603 91.1 59.9 -74.9 -10.9 -0.1 -23.8 -45.8 14 14 A H G X S+ 0 0 34 -3,-2.8 3,-2.1 2,-0.1 61,-0.3 0.405 72.0 132.5 -97.3 2.5 -1.1 -23.7 -49.4 15 15 A V T < S+ 0 0 58 -3,-1.1 61,-0.2 1,-0.3 3,-0.1 -0.301 72.1 22.3 -56.6 130.3 0.5 -20.4 -50.2 16 16 A G T 3 S+ 0 0 54 59,-2.4 -1,-0.3 1,-0.3 2,-0.1 0.101 94.7 120.6 100.0 -22.6 2.6 -20.7 -53.4 17 17 A E < - 0 0 88 -3,-2.1 58,-2.1 57,-0.1 2,-0.5 -0.419 64.2-124.9 -78.2 152.5 0.7 -23.7 -54.8 18 18 A E E -A 74 0A 129 56,-0.2 2,-0.3 -2,-0.1 56,-0.2 -0.853 38.6-169.2 -93.6 126.3 -1.1 -23.6 -58.2 19 19 A V E -A 73 0A 4 54,-2.9 54,-2.0 -2,-0.5 2,-0.4 -0.836 25.1-153.3-123.4 157.9 -4.7 -24.7 -57.6 20 20 A V E -A 72 0A 29 -2,-0.3 -16,-2.5 52,-0.2 -15,-1.0 -0.994 23.7-175.6-126.4 119.6 -7.8 -25.7 -59.6 21 21 A L E -A 71 0A 1 50,-3.1 50,-3.4 -2,-0.4 2,-0.4 -0.901 12.0-167.2-120.9 148.5 -11.1 -25.0 -57.9 22 22 A E E +A 70 0A 2 -17,-0.3 -15,-0.3 -2,-0.3 2,-0.3 -1.000 36.4 94.9-133.9 130.9 -14.7 -25.9 -58.9 23 23 A G E -A 69 0A 0 46,-2.0 46,-2.3 -2,-0.4 2,-0.3 -0.957 64.1 -53.7 179.2-161.1 -17.8 -24.4 -57.3 24 24 A W E -AB 68 40A 9 16,-2.6 16,-2.8 -2,-0.3 2,-0.9 -0.799 44.8-113.6-107.7 147.1 -20.6 -21.8 -57.2 25 25 A V E - B 0 39A 2 42,-2.1 41,-3.2 -2,-0.3 14,-0.2 -0.692 31.8-179.7 -80.5 110.6 -20.3 -18.0 -57.2 26 26 A N E - 0 0 4 12,-3.1 2,-0.3 -2,-0.9 -1,-0.2 0.850 66.8 -15.5 -78.2 -36.4 -21.5 -17.0 -53.8 27 27 A R E - B 0 38A 73 11,-0.9 11,-2.6 -3,-0.1 2,-0.4 -0.969 55.8-148.7-165.5 148.3 -21.0 -13.2 -54.4 28 28 A R E - B 0 37A 64 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 12.0-171.7-126.3 135.7 -19.2 -10.9 -56.7 29 29 A R E - B 0 36A 66 7,-2.6 7,-3.1 -2,-0.4 2,-0.8 -0.995 12.2-154.5-129.0 126.7 -17.8 -7.5 -55.8 30 30 A D E - B 0 35A 88 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.883 12.7-179.9 -99.5 107.3 -16.4 -5.0 -58.3 31 31 A L - 0 0 103 3,-2.8 4,-0.1 -2,-0.8 -1,-0.1 0.143 62.0 -76.2 -95.4 20.8 -13.9 -2.8 -56.3 32 32 A G S S- 0 0 59 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.870 112.7 -2.6 85.4 91.9 -12.9 -0.6 -59.3 33 33 A G S S+ 0 0 40 1,-0.1 2,-0.3 18,-0.1 -3,-0.0 0.768 125.4 79.1 68.2 25.5 -10.6 -2.2 -61.8 34 34 A L - 0 0 52 17,-0.1 -3,-2.8 18,-0.1 2,-0.5 -0.831 64.8-156.9-165.0 120.3 -10.5 -5.3 -59.5 35 35 A I E -BC 30 50A 1 15,-2.2 15,-2.7 -2,-0.3 2,-0.5 -0.905 3.7-164.7-109.7 127.1 -13.0 -8.0 -59.2 36 36 A F E -BC 29 49A 33 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.4 -0.905 6.0-171.0-108.8 131.1 -13.4 -10.3 -56.2 37 37 A L E -BC 28 48A 2 11,-2.6 11,-3.2 -2,-0.5 2,-0.8 -0.987 16.3-146.4-124.0 129.9 -15.4 -13.5 -56.4 38 38 A D E -BC 27 47A 10 -11,-2.6 -12,-3.1 -2,-0.4 -11,-0.9 -0.857 21.1-157.5 -95.7 109.4 -16.3 -15.6 -53.4 39 39 A L E -BC 25 46A 2 7,-2.7 7,-1.7 -2,-0.8 2,-0.4 -0.702 9.8-159.7 -89.7 136.5 -16.3 -19.2 -54.6 40 40 A R E +BC 24 45A 7 -16,-2.8 -16,-2.6 -2,-0.4 2,-0.3 -0.921 22.8 150.0-125.1 143.4 -18.3 -21.8 -52.7 41 41 A D E > - C 0 44A 7 3,-1.6 3,-2.0 -2,-0.4 -18,-0.1 -0.871 64.8 -71.9-149.1 179.8 -18.5 -25.6 -52.2 42 42 A R T 3 S+ 0 0 19 750,-0.3 3,-0.1 1,-0.3 751,-0.0 0.791 128.7 52.4 -49.7 -33.5 -19.5 -27.9 -49.4 43 43 A E T 3 S- 0 0 79 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.654 117.2 -96.7 -82.4 -11.9 -16.4 -27.1 -47.3 44 44 A G E < -C 41 0A 11 -3,-2.0 -3,-1.6 41,-0.0 -36,-0.4 -0.933 50.3 -34.7 138.6-162.4 -16.8 -23.3 -47.4 45 45 A L E -C 40 0A 11 -2,-0.3 2,-0.3 69,-0.3 42,-0.3 -0.753 35.0-174.0-107.6 149.3 -15.8 -20.1 -49.2 46 46 A V E -C 39 0A 1 -7,-1.7 -7,-2.7 -2,-0.3 2,-0.4 -0.996 25.9-124.1-138.9 140.4 -12.6 -18.8 -50.8 47 47 A Q E -C 38 0A 12 43,-0.4 45,-2.4 -2,-0.3 2,-0.4 -0.717 23.7-163.7 -86.8 127.5 -11.9 -15.3 -52.2 48 48 A L E -Cd 37 92A 2 -11,-3.2 -11,-2.6 -2,-0.4 2,-0.5 -0.904 5.1-154.1-109.4 141.6 -10.8 -15.3 -55.8 49 49 A V E -Cd 36 93A 1 43,-3.1 45,-2.6 -2,-0.4 2,-0.5 -0.970 7.9-169.9-123.3 123.1 -9.1 -12.1 -57.2 50 50 A A E -C 35 0A 0 -15,-2.7 -15,-2.2 -2,-0.5 45,-0.1 -0.954 5.5-166.8-114.5 124.4 -9.2 -11.1 -60.9 51 51 A H > - 0 0 50 -2,-0.5 3,-2.2 43,-0.3 6,-0.4 -0.748 35.2-111.5-105.7 155.0 -7.0 -8.3 -62.1 52 52 A P T 3 S+ 0 0 82 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.748 117.6 59.9 -56.7 -24.7 -7.3 -6.5 -65.5 53 53 A A T 3 S+ 0 0 101 4,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.596 89.3 93.5 -80.1 -11.8 -3.9 -8.1 -66.5 54 54 A S S X S- 0 0 20 -3,-2.2 3,-1.3 1,-0.1 4,-0.4 -0.578 77.6-134.5 -85.4 143.9 -5.3 -11.6 -66.0 55 55 A P T 3 S+ 0 0 108 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.654 106.6 61.3 -68.8 -13.3 -6.9 -13.6 -68.9 56 56 A A T 3> S+ 0 0 2 38,-0.3 4,-2.4 1,-0.2 5,-0.2 0.563 78.6 87.9 -89.0 -9.7 -9.7 -14.4 -66.5 57 57 A Y H <> S+ 0 0 37 -3,-1.3 4,-1.5 -6,-0.4 -1,-0.2 0.886 82.9 55.3 -57.2 -43.5 -10.8 -10.8 -66.0 58 58 A A H 4 S+ 0 0 72 -4,-0.4 4,-0.4 -3,-0.3 -1,-0.2 0.911 112.8 42.0 -57.3 -44.8 -13.1 -10.8 -69.0 59 59 A T H >> S+ 0 0 34 -4,-0.3 3,-1.5 1,-0.2 4,-0.9 0.882 109.0 57.8 -70.4 -40.0 -15.1 -13.8 -67.6 60 60 A A H 3< S+ 0 0 0 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.794 100.8 60.7 -60.6 -26.9 -15.1 -12.5 -64.0 61 61 A E T 3< S+ 0 0 104 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.687 108.0 41.3 -75.6 -18.7 -16.8 -9.4 -65.3 62 62 A R T <4 S+ 0 0 122 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.525 87.8 113.0-108.0 -5.0 -19.8 -11.3 -66.6 63 63 A V < - 0 0 0 -4,-0.9 3,-0.0 -3,-0.2 39,-0.0 -0.385 43.8-168.0 -72.5 144.1 -20.4 -13.8 -63.8 64 64 A R > - 0 0 159 1,-0.1 3,-1.5 -2,-0.1 -39,-0.3 -0.790 37.5 -66.8-124.5 166.7 -23.5 -13.7 -61.6 65 65 A P T 3 S+ 0 0 61 0, 0.0 -39,-0.2 0, 0.0 38,-0.1 -0.193 116.0 16.5 -55.5 144.2 -24.5 -15.4 -58.2 66 66 A E T 3 S+ 0 0 6 -41,-3.2 2,-0.1 1,-0.2 -40,-0.1 0.421 85.3 138.3 71.4 2.3 -25.0 -19.2 -58.3 67 67 A W < - 0 0 17 -3,-1.5 -42,-2.1 -42,-0.2 2,-0.5 -0.515 54.1-126.3 -71.9 148.1 -23.2 -19.7 -61.7 68 68 A V E +AE 24 101A 0 33,-2.5 32,-2.7 -44,-0.2 33,-1.7 -0.867 39.2 169.3-100.1 127.7 -21.0 -22.8 -61.6 69 69 A V E -AE 23 99A 1 -46,-2.3 -46,-2.0 -2,-0.5 2,-0.5 -0.868 34.1-135.1-135.7 168.1 -17.3 -22.2 -62.6 70 70 A R E -AE 22 98A 28 28,-2.3 28,-2.4 -2,-0.3 2,-0.4 -0.994 28.4-168.0-122.6 127.1 -13.9 -23.7 -62.7 71 71 A A E -AE 21 97A 3 -50,-3.4 -50,-3.1 -2,-0.5 2,-0.4 -0.923 11.4-168.5-122.7 145.5 -11.0 -21.5 -61.6 72 72 A K E +AE 20 96A 76 24,-2.2 23,-3.2 -2,-0.4 24,-1.9 -0.997 31.0 118.3-129.7 133.9 -7.2 -21.8 -61.8 73 73 A G E -AE 19 94A 0 -54,-2.0 -54,-2.9 -2,-0.4 2,-0.4 -0.975 56.7 -78.6-172.8-175.1 -4.8 -19.6 -59.9 74 74 A L E -AE 18 93A 64 19,-2.0 19,-2.8 -2,-0.3 2,-0.3 -0.882 38.4-128.4-107.8 133.8 -2.0 -19.1 -57.4 75 75 A V E + E 0 92A 2 -58,-2.1 -59,-2.4 -2,-0.4 2,-0.3 -0.648 36.3 170.1 -81.4 134.7 -2.7 -19.1 -53.7 76 76 A R E - 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