==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-APR-00 1EQR . COMPND 2 MOLECULE: ASPARTYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.REES,G.WEBSTER,M.DELARUE,M.BOEGLIN,D.MORAS . 1770 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1242 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 351 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 136 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 212 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 1.9 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 7 1 9 3 8 2 5 2 1 1 3 0 0 0 5 0 1 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 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 . 19 6 9 4 6 2 11 3 4 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 1 2 3 3 0 2 1 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 0 122 0, 0.0 829,-0.1 0, 0.0 828,-0.1 0.000 360.0 360.0 360.0 102.4 34.5 -19.3 -27.3 2 2 A R - 0 0 45 827,-0.4 18,-0.2 1,-0.1 3,-0.1 -0.089 360.0-163.0 -65.7 167.6 31.8 -20.8 -25.1 3 3 A T S S+ 0 0 77 16,-2.6 2,-0.3 1,-0.5 17,-0.2 0.417 78.5 1.9-121.8 -19.2 28.4 -21.8 -26.4 4 4 A E S S- 0 0 31 15,-1.2 -1,-0.5 5,-0.0 2,-0.4 -0.974 77.6 -99.9-163.8 162.2 26.8 -21.8 -23.0 5 5 A Y >> - 0 0 33 -2,-0.3 3,-2.0 1,-0.1 4,-1.1 -0.814 31.8-125.5 -94.4 133.8 27.5 -21.1 -19.3 6 6 A C T 34 S+ 0 0 0 -2,-0.4 3,-0.3 15,-0.4 38,-0.2 0.823 106.7 48.3 -42.3 -44.7 28.2 -24.1 -17.1 7 7 A G T 34 S+ 0 0 2 36,-0.4 -1,-0.3 1,-0.2 37,-0.2 0.571 100.4 61.8 -81.0 -9.5 25.6 -23.2 -14.6 8 8 A Q T <4 S+ 0 0 71 -3,-2.0 -1,-0.2 35,-0.1 -2,-0.2 0.813 73.8 113.3 -85.8 -30.1 22.6 -22.5 -16.9 9 9 A L < + 0 0 0 -4,-1.1 2,-0.2 -3,-0.3 83,-0.2 -0.061 39.7 165.1 -45.5 126.8 22.4 -26.0 -18.4 10 10 A R > - 0 0 101 81,-0.1 3,-2.2 80,-0.1 4,-0.3 -0.739 57.5 -79.8-133.3-176.5 19.2 -27.9 -17.4 11 11 A L G > S+ 0 0 76 1,-0.3 3,-3.0 -2,-0.2 66,-0.1 0.890 123.0 71.5 -55.1 -36.1 17.4 -31.0 -18.6 12 12 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.1 -3,-0.1 0.703 93.1 56.6 -53.3 -20.9 16.0 -28.8 -21.5 13 13 A H G X S+ 0 0 24 -3,-2.2 3,-2.3 2,-0.1 62,-0.3 0.530 74.2 134.0 -90.3 -5.3 19.5 -28.8 -23.0 14 14 A V T < + 0 0 67 -3,-3.0 62,-0.2 -4,-0.3 3,-0.1 -0.175 69.0 26.5 -51.2 121.6 19.8 -32.6 -23.2 15 15 A G T 3 S+ 0 0 54 60,-1.6 -1,-0.3 1,-0.4 -2,-0.1 -0.077 91.1 117.0 119.0 -34.3 21.1 -33.5 -26.6 16 16 A Q < - 0 0 79 -3,-2.3 59,-2.2 58,-0.1 2,-0.6 -0.276 62.2-127.7 -75.4 154.0 23.1 -30.4 -27.5 17 17 A Q E -A 74 0A 135 57,-0.2 2,-0.3 -3,-0.1 57,-0.2 -0.858 38.1-174.1 -94.8 127.2 26.8 -30.2 -28.2 18 18 A V E -A 73 0A 0 55,-2.5 55,-2.3 -2,-0.6 2,-0.6 -0.887 25.7-142.0-124.8 155.2 28.1 -27.3 -26.0 19 19 A T E -A 72 0A 25 -2,-0.3 -16,-2.6 53,-0.2 -15,-1.2 -0.962 24.6-165.8-118.7 112.2 31.4 -25.5 -25.6 20 20 A L E -A 71 0A 0 51,-3.4 51,-2.4 -2,-0.6 2,-0.4 -0.761 9.1-172.0-101.0 145.4 32.1 -24.6 -22.0 21 21 A C E +A 70 0A 0 -17,-0.4 -15,-0.4 -2,-0.3 2,-0.3 -0.964 39.5 80.4-130.2 143.7 34.7 -22.2 -20.7 22 22 A G E -A 69 0A 0 47,-2.0 47,-2.7 -2,-0.4 2,-0.3 -0.998 68.5 -46.6 156.9-157.9 35.5 -21.8 -17.0 23 23 A W E -AB 68 39A 3 16,-3.2 16,-3.4 -2,-0.3 2,-0.7 -0.831 41.4-111.5-120.1 150.5 37.4 -23.3 -14.1 24 24 A V E + B 0 38A 0 43,-1.8 42,-4.2 -2,-0.3 14,-0.2 -0.711 35.1 176.8 -76.8 114.7 38.0 -26.7 -12.5 25 25 A N E - 0 0 56 12,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.924 65.4 -11.6 -82.9 -52.4 36.1 -26.4 -9.2 26 26 A R E - B 0 37A 93 11,-0.8 11,-1.5 39,-0.1 2,-0.3 -0.840 61.9-149.5-139.1 170.0 36.6 -30.0 -7.9 27 27 A R E - B 0 36A 65 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.974 10.9-176.5-147.6 138.0 37.9 -33.2 -9.5 28 28 A R E - B 0 35A 120 7,-2.5 7,-2.0 -2,-0.3 2,-0.3 -0.953 14.2-150.9-142.2 117.2 36.9 -36.8 -8.6 29 29 A D E - B 0 34A 87 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.692 10.7-175.1 -84.1 138.8 38.4 -40.0 -10.1 30 30 A L E > - B 0 33A 79 3,-2.6 3,-1.5 -2,-0.3 2,-0.4 -0.783 66.5 -58.4-135.5 81.2 35.9 -42.9 -10.2 31 31 A G T 3 S- 0 0 70 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.656 118.1 -20.9 78.9-128.3 38.0 -45.8 -11.5 32 32 A S T 3 S+ 0 0 99 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.387 120.9 103.7 -91.1 0.6 39.4 -44.9 -14.9 33 33 A L E < -B 30 0A 48 -3,-1.5 -3,-2.6 17,-0.1 2,-0.5 -0.666 60.6-154.3 -85.5 134.9 36.6 -42.3 -15.1 34 34 A I E -BC 29 49A 6 15,-1.3 15,-2.2 -2,-0.3 2,-0.4 -0.957 9.4-169.4-115.9 123.7 37.5 -38.6 -14.5 35 35 A F E -BC 28 48A 18 -7,-2.0 -7,-2.5 -2,-0.5 2,-0.4 -0.915 1.5-171.2-112.2 134.4 34.8 -36.2 -13.3 36 36 A I E -BC 27 47A 0 11,-2.7 11,-3.9 -2,-0.4 2,-1.0 -0.975 21.5-146.9-127.5 135.3 35.1 -32.5 -13.2 37 37 A D E -BC 26 46A 17 -11,-1.5 -12,-3.0 -2,-0.4 -11,-0.8 -0.875 31.2-158.7 -97.9 96.8 32.9 -29.9 -11.6 38 38 A M E -BC 24 45A 0 7,-2.5 7,-2.5 -2,-1.0 2,-0.3 -0.641 7.7-156.2 -83.2 136.8 33.4 -27.1 -14.1 39 39 A R E +BC 23 44A 24 -16,-3.4 -16,-3.2 -2,-0.3 2,-0.3 -0.884 25.9 148.7-124.6 146.0 32.7 -23.6 -13.0 40 40 A D E > - C 0 43A 5 3,-1.6 3,-3.6 -2,-0.3 -33,-0.1 -0.933 66.2 -72.8-156.5 165.3 31.8 -20.1 -14.5 41 41 A R T 3 S+ 0 0 32 755,-0.8 3,-0.1 1,-0.3 756,-0.1 0.682 129.1 56.6 -39.9 -26.9 29.7 -17.1 -13.2 42 42 A E T 3 S- 0 0 86 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.743 116.8-104.6 -81.3 -18.5 26.4 -19.1 -13.8 43 43 A G E < -C 40 0A 25 -3,-3.6 -3,-1.6 45,-0.0 -36,-0.4 -0.945 48.8 -30.8 137.7-160.3 27.5 -21.9 -11.6 44 44 A I E -C 39 0A 42 -2,-0.3 45,-0.4 -5,-0.2 2,-0.4 -0.827 38.1-176.6-110.6 138.6 28.8 -25.5 -11.6 45 45 A V E -C 38 0A 0 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.4 -0.989 29.0-120.6-130.7 139.1 28.2 -28.3 -14.1 46 46 A Q E -C 37 0A 19 46,-0.4 48,-2.4 -2,-0.4 2,-0.5 -0.654 26.3-159.3 -78.6 129.5 29.5 -31.9 -13.8 47 47 A V E -Cd 36 94A 0 -11,-3.9 -11,-2.7 -2,-0.4 2,-0.5 -0.960 1.0-156.3-115.0 125.8 31.7 -32.9 -16.7 48 48 A F E -Cd 35 95A 20 46,-2.9 48,-2.6 -2,-0.5 2,-0.6 -0.858 0.4-159.1-103.1 127.5 32.3 -36.6 -17.5 49 49 A F E -C 34 0A 1 -15,-2.2 -15,-1.3 -2,-0.5 48,-0.1 -0.929 10.9-156.1-108.9 116.1 35.4 -37.7 -19.4 50 50 A D > - 0 0 13 -2,-0.6 3,-1.6 46,-0.4 7,-0.3 -0.658 22.1-130.8 -90.2 144.9 35.0 -41.2 -21.0 51 51 A P T 3 S+ 0 0 62 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.563 99.5 83.3 -70.1 -6.6 38.0 -43.4 -21.8 52 52 A D T 3 S+ 0 0 144 1,-0.3 2,-0.6 2,-0.1 45,-0.0 0.743 87.8 53.3 -67.8 -26.5 36.4 -43.7 -25.3 53 53 A R S X> S- 0 0 89 -3,-1.6 4,-1.6 1,-0.2 3,-1.3 -0.634 78.4-170.2-113.6 74.5 38.0 -40.4 -26.2 54 54 A A H 3> S+ 0 0 66 -2,-0.6 4,-0.9 -3,-0.4 -1,-0.2 0.642 75.8 48.5 -29.5 -48.8 41.7 -41.1 -25.3 55 55 A D H 3> S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.821 109.7 48.7 -73.9 -33.9 43.1 -37.6 -25.7 56 56 A A H <> S+ 0 0 8 -3,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.886 115.4 45.7 -72.9 -36.9 40.5 -35.6 -23.7 57 57 A L H X S+ 0 0 33 -4,-1.6 4,-0.7 -7,-0.3 -1,-0.2 0.761 109.3 59.0 -73.8 -24.9 40.8 -38.1 -20.9 58 58 A K H >< S+ 0 0 141 -4,-0.9 3,-1.0 -5,-0.3 -2,-0.2 0.982 111.9 36.7 -68.7 -52.9 44.6 -37.9 -21.3 59 59 A L H >< S+ 0 0 63 -4,-2.1 3,-1.8 1,-0.2 4,-0.2 0.833 108.5 66.7 -65.3 -35.1 44.7 -34.2 -20.6 60 60 A A H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.650 86.3 69.0 -63.3 -17.3 42.0 -34.4 -18.0 61 61 A S T << S+ 0 0 65 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 0.469 97.3 53.9 -82.6 2.5 44.2 -36.4 -15.7 62 62 A E T < S+ 0 0 84 -3,-1.8 2,-0.2 -4,-0.1 -1,-0.2 0.423 80.4 120.6-109.1 -7.2 46.4 -33.3 -15.2 63 63 A L < + 0 0 1 -3,-0.8 2,-0.3 -4,-0.2 3,-0.1 -0.452 35.3 173.1 -66.8 127.6 43.5 -31.1 -14.1 64 64 A R > - 0 0 129 -2,-0.2 3,-1.5 1,-0.1 -40,-0.3 -0.770 46.1 -61.8-124.4 169.5 43.8 -29.6 -10.7 65 65 A N T 3 S+ 0 0 84 -2,-0.3 -40,-0.2 1,-0.2 -1,-0.1 -0.197 118.6 15.0 -55.9 143.8 41.5 -27.1 -9.0 66 66 A E T 3 S+ 0 0 19 -42,-4.2 -1,-0.2 1,-0.2 -41,-0.1 0.478 81.1 151.1 71.3 5.8 41.2 -23.7 -10.6 67 67 A F < - 0 0 0 -3,-1.5 -43,-1.8 -43,-0.2 2,-0.7 -0.440 49.5-123.8 -63.9 143.4 42.8 -24.7 -13.9 68 68 A C E +AE 23 103A 0 35,-3.5 34,-2.1 -45,-0.2 35,-2.0 -0.838 47.5 164.6 -93.1 120.3 41.3 -22.6 -16.7 69 69 A I E -AE 22 101A 0 -47,-2.7 -47,-2.0 -2,-0.7 2,-0.4 -0.808 35.4-149.0-134.5 171.2 39.8 -24.9 -19.2 70 70 A Q E -AE 21 100A 50 30,-1.8 30,-2.6 -2,-0.3 2,-0.4 -0.993 19.0-179.5-138.7 134.0 37.5 -25.3 -22.2 71 71 A V E -AE 20 99A 0 -51,-2.4 -51,-3.4 -2,-0.4 2,-0.5 -0.989 15.1-160.7-140.6 130.7 35.5 -28.4 -22.9 72 72 A T E +AE 19 98A 21 26,-1.2 25,-2.0 -2,-0.4 26,-1.3 -0.937 37.2 136.2-107.5 130.4 33.2 -29.1 -25.7 73 73 A G E -AE 18 96A 0 -55,-2.3 -55,-2.5 -2,-0.5 2,-0.4 -0.827 51.5 -86.0-152.0-164.9 30.9 -32.0 -24.9 74 74 A T E -AE 17 95A 46 21,-2.1 21,-2.8 -2,-0.2 2,-0.2 -0.963 33.6-131.0-119.9 132.9 27.3 -33.3 -25.0 75 75 A V E + E 0 94A 1 -59,-2.2 -60,-1.6 -2,-0.4 2,-0.3 -0.569 36.3 168.1 -79.7 143.5 24.7 -32.6 -22.4 76 76 A R E - E 0 93A 89 17,-2.1 17,-1.5 -2,-0.2 2,-0.1 -0.997 39.1 -90.3-156.1 154.9 22.9 -35.6 -21.1 77 77 A A E - E 0 92A 53 -2,-0.3 15,-0.3 15,-0.2 2,-0.1 -0.383 37.6-132.5 -67.2 136.0 20.6 -36.8 -18.3 78 78 A R - 0 0 24 13,-2.5 2,-0.1 1,-0.1 5,-0.1 -0.411 39.1 -91.6 -77.0 165.3 22.3 -38.1 -15.2 79 79 A D >> - 0 0 101 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.468 36.5-108.3 -76.0 159.1 20.8 -41.4 -14.0 80 80 A E G >4 S+ 0 0 156 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.917 121.7 53.5 -52.3 -44.6 17.9 -41.1 -11.5 81 81 A K G 34 S+ 0 0 184 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.613 110.5 47.0 -68.7 -12.9 20.3 -42.4 -8.8 82 82 A N G <4 S+ 0 0 72 -3,-1.8 -1,-0.3 9,-0.1 -2,-0.2 0.319 78.4 126.0-108.3 4.5 22.9 -39.7 -9.6 83 83 A I << - 0 0 40 -3,-1.4 2,-0.7 -4,-0.5 8,-0.2 -0.449 49.6-151.2 -66.0 136.0 20.6 -36.7 -9.7 84 84 A N > - 0 0 58 6,-2.9 3,-1.9 1,-0.1 6,-0.2 -0.852 9.0-169.2-113.2 94.5 21.9 -34.0 -7.4 85 85 A R T 3 S+ 0 0 221 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.528 80.7 62.8 -61.7 -5.2 18.9 -32.0 -6.2 86 86 A D T 3 S+ 0 0 153 4,-0.1 2,-0.4 3,-0.0 -1,-0.3 0.415 90.0 70.6-103.3 3.2 21.2 -29.4 -4.7 87 87 A M S X S- 0 0 41 -3,-1.9 3,-1.8 1,-0.1 -3,-0.1 -0.931 79.8-132.8-113.5 141.8 22.9 -28.1 -7.9 88 88 A A T 3 S+ 0 0 70 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.862 115.2 41.7 -60.9 -31.4 20.8 -26.1 -10.4 89 89 A T T > S+ 0 0 2 -45,-0.4 3,-2.3 1,-0.2 -1,-0.3 0.205 80.9 127.2 -97.7 15.1 22.4 -28.4 -13.1 90 90 A G T < + 0 0 2 -3,-1.8 -6,-2.9 1,-0.3 -1,-0.2 0.492 64.0 57.1 -52.4 -8.2 21.9 -31.4 -10.8 91 91 A E T 3 S+ 0 0 90 -3,-0.3 -13,-2.5 -8,-0.2 -1,-0.3 0.426 107.7 40.1-105.7 1.5 20.0 -33.4 -13.4 92 92 A I E < - 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