==== 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 AMINOACYL-TRNA SYNTHETASE 09-JUN-95 1KRS . COMPND 2 MOLECULE: LYSYL-TRNA SYNTHETASE (PRODUCT OF LYSS GENE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.COMMANS,F.DARDEL . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 20.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 11 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 1 1 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 . 0 0 0 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 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 40 A F 0 0 93 0, 0.0 30,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 60.2 2.9 9.3 4.8 2 41 A R > - 0 0 166 82,-0.1 3,-2.0 1,-0.1 28,-0.7 -0.141 360.0 -31.6-107.8-158.7 0.7 9.8 1.7 3 42 A R B 3 S-a 30 0A 75 1,-0.3 28,-0.3 2,-0.2 -1,-0.1 -0.558 138.3 -9.4 -79.9 116.6 0.2 7.7 -1.4 4 43 A D T 3 S- 0 0 59 26,-0.9 -1,-0.3 -2,-0.7 27,-0.1 0.930 111.2-157.9 61.4 44.4 3.3 5.7 -2.3 5 44 A H < - 0 0 22 -3,-2.0 2,-0.2 80,-0.2 -2,-0.2 0.720 30.5 -33.0 -13.9-100.2 4.0 8.2 0.3 6 45 A T S S+ 0 0 82 -4,-0.2 23,-0.0 2,-0.0 24,-0.0 -0.591 74.5 106.1-125.3-176.6 7.6 9.1 0.5 7 46 A S + 0 0 32 -2,-0.2 4,-0.5 3,-0.0 20,-0.0 0.823 14.8 152.0 98.1 89.7 10.9 7.6 -0.1 8 47 A D S > S+ 0 0 136 2,-0.2 4,-1.6 3,-0.1 3,-0.3 0.776 82.1 55.9-102.2 -49.7 12.9 8.5 -3.1 9 48 A Q H > S+ 0 0 158 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.834 103.8 64.3 -46.3 -37.3 16.3 7.9 -1.6 10 49 A L H >> S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 3,-1.1 0.956 95.5 50.0 -47.0 -67.3 14.8 4.6 -1.0 11 50 A H H 3> S+ 0 0 65 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.798 105.2 58.3 -48.8 -38.6 14.4 3.7 -4.5 12 51 A A H 3< S+ 0 0 75 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.922 119.5 32.0 -60.4 -41.4 17.9 4.5 -5.1 13 52 A E H << S+ 0 0 92 -4,-1.6 4,-0.4 -3,-1.1 -2,-0.3 0.966 110.8 58.6 -76.1 -63.6 18.7 2.0 -2.3 14 53 A F H >< S+ 0 0 14 -4,-2.8 2,-2.0 1,-0.2 3,-0.6 0.781 92.9 80.2 -38.4 -37.2 15.9 -0.8 -2.6 15 54 A D T 3< S+ 0 0 103 -4,-1.2 -1,-0.2 -5,-0.4 81,-0.1 -0.507 108.4 8.3 -76.5 73.1 17.2 -1.1 -6.1 16 55 A G T 3 S+ 0 0 79 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.487 102.8 84.1 137.1 -1.6 20.2 -3.4 -5.3 17 56 A K S < S- 0 0 66 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.1 -0.516 71.8 -68.4-121.2-168.0 20.5 -4.7 -1.7 18 57 A E > - 0 0 123 -2,-0.2 4,-2.6 1,-0.1 3,-0.2 -0.453 30.1-126.7 -84.9 152.7 19.3 -7.5 0.7 19 58 A N H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 105.7 56.9 -49.6 -63.9 15.9 -8.2 2.1 20 59 A E H > S+ 0 0 151 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.785 114.7 42.4 -32.4 -48.6 16.9 -8.3 5.8 21 60 A E H >> S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.921 103.8 61.0 -69.7 -59.8 18.1 -5.0 5.3 22 61 A L H 3X S+ 0 0 14 -4,-2.6 4,-0.8 1,-0.3 5,-0.2 0.730 110.7 47.5 -44.8 -28.5 15.3 -3.7 3.2 23 62 A E H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.830 101.6 58.8 -79.6 -47.3 13.3 -4.4 6.1 24 63 A A H << S+ 0 0 86 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.920 123.2 28.5 -53.6 -47.2 15.5 -2.9 8.7 25 64 A L H < S+ 0 0 68 -4,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.710 98.0 154.0 -85.5 -25.1 15.1 0.3 6.8 26 65 A N < - 0 0 57 -4,-0.8 2,-0.4 -5,-0.4 -3,-0.1 0.584 33.5-146.4 -15.5 143.4 11.7 -0.4 5.4 27 66 A I - 0 0 23 -5,-0.2 62,-1.8 62,-0.1 2,-0.5 -0.908 6.6-149.0-120.0 141.2 9.0 1.9 4.4 28 67 A E - 0 0 77 -2,-0.4 60,-0.3 60,-0.3 59,-0.1 -0.630 31.1-167.2-111.0 66.3 5.5 1.2 4.7 29 68 A V - 0 0 5 -2,-0.5 58,-0.3 57,-0.3 71,-0.2 -0.308 8.9-142.7 -78.9 148.7 4.2 3.1 1.7 30 69 A A B -a 3 0A 0 -28,-0.7 -26,-0.9 56,-0.3 2,-0.4 0.063 25.0-128.0 -88.7-178.2 0.9 3.9 1.0 31 70 A V + 0 0 0 54,-0.4 2,-0.3 -28,-0.3 -28,-0.1 -0.953 30.4 155.8-149.0 114.2 -2.1 4.6 -0.6 32 71 A A + 0 0 5 -2,-0.4 2,-0.4 52,-0.2 52,-0.3 -0.679 51.6 51.5-122.7 176.9 -4.0 7.6 -0.1 33 72 A G B S-B 83 0B 5 50,-1.2 50,-0.7 -2,-0.3 2,-0.3 -0.740 92.1 -69.7 92.9-142.4 -6.4 8.9 -2.6 34 73 A R E +C 50 0B 86 16,-1.6 16,-0.9 -2,-0.4 2,-0.2 -0.983 53.2 127.2-162.7 148.3 -9.1 6.5 -3.9 35 74 A M E -C 49 0B 35 42,-0.3 14,-0.2 -2,-0.3 -2,-0.0 -0.770 34.4-140.7-161.8-149.6 -9.9 3.4 -6.0 36 75 A M + 0 0 130 12,-0.9 2,-1.4 -2,-0.2 13,-0.1 0.304 45.8 132.1 179.2 9.9 -11.5 0.0 -6.2 37 76 A T + 0 0 57 11,-1.6 11,-0.5 2,-0.1 2,-0.1 -0.594 28.9 155.4 -97.2 97.5 -9.4 -2.5 -8.1 38 77 A R - 0 0 104 -2,-1.4 9,-0.2 9,-0.2 7,-0.0 -0.431 41.8-150.7-101.0 171.0 -9.1 -5.7 -6.3 39 78 A R - 0 0 186 7,-1.0 8,-0.1 -2,-0.1 -2,-0.1 -0.387 37.6-166.0-141.0 52.0 -8.5 -9.4 -7.0 40 79 A I + 0 0 93 5,-0.1 5,-0.1 1,-0.1 4,-0.1 0.139 32.6 175.3 -47.6 153.9 -10.4 -10.9 -4.2 41 80 A M S S- 0 0 132 2,-1.0 2,-1.1 3,-0.1 -1,-0.1 -0.207 75.8 -75.4-152.1 38.7 -10.3 -14.4 -2.9 42 81 A G S S+ 0 0 56 1,-0.0 2,-0.1 0, 0.0 3,-0.1 -0.607 114.0 5.9 99.0 -70.2 -12.6 -13.9 0.0 43 82 A K S S+ 0 0 113 -2,-1.1 -2,-1.0 1,-0.3 17,-0.1 -0.199 114.5 41.6-120.0-151.0 -10.1 -12.1 2.3 44 83 A A S S+ 0 0 22 -2,-0.1 -1,-0.3 -4,-0.1 17,-0.2 0.552 72.5 176.9 -3.2 114.1 -6.6 -10.9 1.6 45 84 A S E - D 0 60B 0 15,-1.6 15,-1.6 -5,-0.1 2,-0.5 -0.604 35.0-116.3-123.0 178.7 -6.6 -9.4 -1.8 46 85 A F E - D 0 59B 89 13,-0.2 -7,-1.0 -2,-0.2 13,-0.2 -0.980 42.0-172.0-121.1 132.7 -4.3 -7.6 -4.2 47 86 A V E - D 0 58B 4 11,-1.0 11,-3.1 -2,-0.5 2,-0.4 -0.759 21.6-152.2-126.5 170.2 -5.5 -4.1 -4.9 48 87 A T E - D 0 57B 45 -11,-0.5 -11,-1.6 9,-0.3 -12,-0.9 -0.970 19.4-175.1-146.0 127.9 -4.8 -1.1 -7.2 49 88 A L E -CD 35 56B 2 7,-1.8 7,-1.7 -2,-0.4 2,-0.3 -0.756 16.4-132.5-122.1 168.2 -5.5 2.5 -6.3 50 89 A Q E -CD 34 55B 52 -16,-0.9 -16,-1.6 -2,-0.2 2,-0.2 -0.830 18.6-178.0-119.0 159.3 -5.4 5.9 -7.8 51 90 A D E > - D 0 54B 40 3,-2.3 3,-1.1 -2,-0.3 -18,-0.1 -0.702 58.4 -46.0-137.8-174.2 -4.0 9.2 -6.5 52 91 A V T 3 S- 0 0 129 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.740 131.2 -9.1 -24.5 -60.5 -3.8 12.7 -7.8 53 92 A G T 3 S+ 0 0 72 1,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.015 126.4 14.6-138.5 33.6 -2.8 11.7 -11.3 54 93 A G E < -D 51 0B 28 -3,-1.1 -3,-2.3 2,-0.0 2,-0.3 -0.984 67.3 -96.3 175.8 174.3 -1.9 8.0 -11.5 55 94 A R E -D 50 0B 172 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.783 14.5-167.6-120.6 164.2 -2.0 4.6 -9.9 56 95 A I E -D 49 0B 22 -7,-1.7 -7,-1.8 -2,-0.3 2,-0.4 -0.906 21.8-129.8-133.4 157.6 -0.0 2.2 -7.8 57 96 A Q E +D 48 0B 105 40,-0.3 42,-2.1 -2,-0.3 -9,-0.3 -0.920 28.7 179.6-119.0 146.6 -0.6 -1.5 -7.1 58 97 A L E -De 47 99B 5 -11,-3.1 -11,-1.0 -2,-0.4 2,-0.4 -0.729 30.5-118.2-132.6-177.9 -0.7 -3.1 -3.7 59 98 A Y E -D 46 0B 72 40,-1.4 2,-1.3 -13,-0.2 -13,-0.2 -0.945 17.6-163.9-130.4 103.3 -1.1 -6.2 -1.7 60 99 A V E +D 45 0B 0 -15,-1.6 -15,-1.6 -2,-0.4 2,-0.6 -0.750 26.1 167.2 -89.0 90.9 -3.9 -6.2 0.8 61 100 A A + 0 0 11 40,-1.9 3,-0.2 -2,-1.3 -2,-0.1 -0.924 28.3 171.0-123.1 118.8 -2.9 -9.1 2.9 62 101 A R + 0 0 41 -2,-0.6 -18,-0.1 1,-0.2 -1,-0.1 -0.430 20.8 161.7-112.1 49.4 -4.5 -9.9 6.3 63 102 A D S S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.1 -20,-0.0 0.722 76.0 27.6 -42.5 -32.5 -2.7 -13.2 6.3 64 103 A D S S+ 0 0 122 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.876 132.0 27.8-101.5 -54.8 -3.2 -13.4 10.0 65 104 A L S S- 0 0 112 1,-0.0 2,-2.8 2,-0.0 -1,-0.2 -0.800 82.2-147.5-112.5 86.8 -6.4 -11.5 11.0 66 105 A P + 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.225 36.5 173.6 -70.0 64.1 -8.4 -11.8 7.7 67 106 A E - 0 0 68 -2,-2.8 4,-0.2 1,-0.1 -5,-0.1 0.322 52.0-140.8 -60.8 179.2 -10.2 -8.5 7.9 68 107 A G S >>S+ 0 0 30 2,-0.1 5,-1.8 3,-0.1 4,-1.0 0.485 90.9 87.8-116.4 -25.0 -12.5 -6.1 6.1 69 108 A V T 45S+ 0 0 57 3,-0.2 5,-0.1 4,-0.1 35,-0.0 0.691 95.0 62.4 -47.1 -19.5 -10.5 -3.1 7.4 70 109 A Y T >>5S- 0 0 11 3,-0.1 4,-2.8 2,-0.1 3,-1.8 0.558 120.1 -9.2 -74.7-144.2 -8.8 -4.1 4.3 71 110 A N H 3>5S+ 0 0 13 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.602 135.1 56.1 -40.4 -18.0 -10.0 -4.3 0.7 72 111 A E H 3X5S+ 0 0 114 -4,-1.0 4,-1.8 2,-0.3 -1,-0.3 0.856 102.5 48.1 -88.9 -37.4 -13.4 -3.6 2.1 73 112 A Q H X>