==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-JAN-11 2Y67 . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.ZIDAR,T.TOMASIC,R.SINK,A.KOVAC,D.PATIN,D.BLANOT,C.CONTRERA . 436 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 1 0 4 0 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 5 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 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 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 A 0 0 82 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.8 62.8 4.1 -1.0 2 2 A D + 0 0 126 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.983 360.0 178.1-126.1 119.2 65.1 1.1 -0.9 3 3 A Y > + 0 0 15 -2,-0.4 3,-2.3 24,-0.1 -1,-0.1 0.455 31.3 137.0 -98.7 -2.6 65.2 -1.0 2.3 4 4 A Q T 3 S+ 0 0 154 1,-0.3 25,-0.1 25,-0.1 3,-0.1 -0.161 78.0 3.9 -57.0 130.9 67.7 -3.7 1.3 5 5 A G T 3 S+ 0 0 73 23,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.294 97.3 134.3 83.6 -11.5 70.3 -4.5 3.9 6 6 A K < - 0 0 111 -3,-2.3 2,-0.8 1,-0.1 -1,-0.3 -0.383 61.5-121.7 -75.6 149.6 68.7 -2.2 6.5 7 7 A N - 0 0 52 57,-0.1 59,-2.6 -3,-0.1 60,-1.7 -0.828 40.0-170.9 -88.5 112.5 68.2 -3.2 10.1 8 8 A V E -a 67 0A 1 -2,-0.8 24,-2.4 22,-0.3 2,-0.4 -0.879 14.4-170.0-117.6 135.0 64.4 -2.7 10.6 9 9 A V E -ab 68 32A 0 58,-2.3 60,-3.0 -2,-0.4 2,-0.5 -0.984 6.8-158.1-126.1 130.7 62.3 -2.9 13.7 10 10 A I E -ab 69 33A 2 22,-3.0 24,-3.1 -2,-0.4 2,-0.7 -0.923 5.4-154.7-109.5 130.4 58.6 -2.9 13.8 11 11 A I E +ab 70 34A 3 58,-2.4 60,-2.2 -2,-0.5 24,-0.2 -0.928 63.4 22.7-106.1 115.2 56.8 -1.8 17.0 12 12 A G - 0 0 5 22,-3.3 23,-0.1 -2,-0.7 22,-0.1 0.347 59.5-148.8 107.8 127.8 53.3 -3.3 17.3 13 13 A L > + 0 0 1 4,-0.1 4,-1.9 3,-0.1 3,-0.2 0.359 47.5 104.0 -94.3-122.3 51.7 -6.4 15.9 14 14 A G H > S- 0 0 11 27,-2.1 4,-2.2 1,-0.2 5,-0.2 -0.156 100.2 -48.4 62.2-175.3 48.0 -6.8 15.1 15 15 A L H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 142.3 50.7 -47.6 -47.4 46.8 -6.7 11.5 16 16 A T H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.957 110.8 46.1 -65.7 -50.0 48.8 -3.5 10.8 17 17 A G H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.850 112.3 52.3 -59.6 -37.9 52.1 -4.8 12.2 18 18 A L H X S+ 0 0 23 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.879 106.3 52.8 -67.3 -40.4 51.7 -8.0 10.3 19 19 A S H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.842 110.2 49.7 -62.6 -31.8 51.1 -6.1 7.1 20 20 A C H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.937 109.8 50.3 -73.1 -47.3 54.4 -4.2 7.8 21 21 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.955 113.3 45.2 -46.0 -55.7 56.2 -7.5 8.5 22 22 A D H X S+ 0 0 83 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.886 108.6 58.8 -63.0 -39.2 54.9 -8.9 5.2 23 23 A F H < S+ 0 0 11 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.955 111.7 39.0 -48.9 -56.9 55.8 -5.7 3.4 24 24 A F H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-1.2 0.914 114.8 52.1 -64.5 -46.3 59.5 -6.0 4.4 25 25 A L H ><5S+ 0 0 62 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.914 106.1 53.8 -57.0 -43.5 59.8 -9.8 3.9 26 26 A A T 3<5S+ 0 0 86 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.641 108.7 51.7 -70.0 -11.5 58.3 -9.5 0.3 27 27 A R T < 5S- 0 0 103 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.171 126.5-103.0-106.2 11.4 61.1 -7.0 -0.3 28 28 A G T < 5S+ 0 0 63 -3,-2.3 2,-0.4 1,-0.2 -23,-0.3 0.800 83.7 121.9 74.9 33.0 63.7 -9.3 1.0 29 29 A V < - 0 0 7 -5,-2.3 -2,-0.2 -8,-0.1 -1,-0.2 -0.988 51.4-150.6-129.6 119.8 64.2 -7.7 4.4 30 30 A T - 0 0 90 -2,-0.4 -22,-0.3 -3,-0.1 -9,-0.1 -0.791 21.8-166.2 -89.0 103.0 63.7 -9.6 7.7 31 31 A P - 0 0 1 0, 0.0 20,-0.4 0, 0.0 2,-0.4 -0.319 16.1-126.5 -77.8 170.6 62.5 -7.1 10.2 32 32 A R E -b 9 0A 50 -24,-2.4 -22,-3.0 18,-0.1 2,-0.4 -0.912 23.8-144.8-110.1 152.2 62.4 -7.7 14.0 33 33 A V E +bc 10 52A 2 18,-2.4 20,-2.0 -2,-0.4 2,-0.3 -0.944 17.3 179.9-121.0 133.2 59.2 -7.1 15.8 34 34 A M E +bc 11 53A 0 -24,-3.1 -22,-3.3 -2,-0.4 2,-0.3 -0.950 1.6 178.8-126.7 154.3 58.5 -5.8 19.3 35 35 A D E - c 0 54A 5 18,-1.8 20,-1.2 21,-0.5 21,-0.9 -0.959 31.0-137.8-153.1 134.6 55.3 -5.1 21.2 36 36 A T S S+ 0 0 67 -2,-0.3 2,-0.3 19,-0.2 21,-0.1 0.642 84.5 87.5 -70.9 -10.3 54.8 -3.8 24.8 37 37 A R S S- 0 0 83 1,-0.1 18,-0.9 19,-0.1 19,-0.2 -0.682 79.2-134.4 -93.8 141.2 52.0 -6.4 25.2 38 38 A M S S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.3 18,-0.1 0.936 101.0 16.2 -62.9 -47.4 52.9 -9.9 26.4 39 39 A T S S- 0 0 118 15,-0.1 -1,-0.3 16,-0.1 3,-0.1 -0.672 83.3-169.9-124.1 79.3 50.7 -11.7 23.8 40 40 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 -5,-0.0 -0.368 37.2 -91.7 -67.8 147.9 49.9 -9.1 21.1 41 41 A P T 3 S+ 0 0 57 0, 0.0 -27,-2.1 0, 0.0 -4,-0.1 -0.196 112.7 30.1 -55.3 148.6 47.2 -10.2 18.6 42 42 A G T >> S+ 0 0 28 -29,-0.2 3,-1.2 -3,-0.1 4,-0.7 0.351 79.4 123.5 83.3 -5.8 48.5 -11.9 15.5 43 43 A L G X4 S+ 0 0 32 -3,-1.7 3,-1.5 1,-0.3 -1,-0.0 0.922 74.9 50.9 -49.7 -46.6 51.5 -13.3 17.4 44 44 A D G 34 S+ 0 0 165 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.697 107.6 52.9 -70.7 -18.3 50.5 -16.7 16.4 45 45 A K G <4 S+ 0 0 171 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.441 83.0 110.9 -95.3 -1.9 50.3 -15.6 12.7 46 46 A L S << S- 0 0 12 -3,-1.5 2,-0.2 -4,-0.7 6,-0.0 -0.493 80.6-107.1 -64.3 137.3 53.8 -14.2 12.8 47 47 A P > - 0 0 51 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.514 25.6-120.1 -73.9 142.5 56.2 -16.3 10.7 48 48 A E T 3 S+ 0 0 192 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.0 0.722 106.7 57.8 -57.6 -28.4 58.6 -18.4 12.7 49 49 A A T 3 S+ 0 0 90 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 0.444 82.2 97.1 -89.3 -0.4 61.8 -16.8 11.3 50 50 A V S < S- 0 0 3 -3,-2.1 2,-0.2 -18,-0.0 -18,-0.1 -0.809 77.4-129.4 -83.9 121.0 60.9 -13.3 12.3 51 51 A E - 0 0 110 -2,-0.6 -18,-2.4 -20,-0.4 2,-0.3 -0.484 31.9-171.4 -66.2 139.0 62.6 -12.4 15.7 52 52 A R E -c 33 0A 88 -20,-0.2 2,-0.4 -2,-0.2 -18,-0.2 -0.980 21.7-169.7-137.9 152.0 60.2 -11.0 18.2 53 53 A H E +c 34 0A 53 -20,-2.0 -18,-1.8 -2,-0.3 2,-0.3 -0.972 18.9 176.2-139.9 115.5 60.3 -9.4 21.7 54 54 A T E +c 35 0A 42 -2,-0.4 -16,-0.2 -20,-0.2 -18,-0.2 -0.760 51.2 51.8-119.2 167.0 57.1 -8.9 23.6 55 55 A G S S+ 0 0 28 -20,-1.2 2,-0.3 -18,-0.9 -19,-0.2 0.250 117.3 0.3 97.0 -13.4 56.2 -7.6 27.0 56 56 A S S S- 0 0 53 -21,-0.9 -21,-0.5 -19,-0.2 2,-0.3 -0.963 89.7 -72.6 179.4 174.6 58.1 -4.4 26.6 57 57 A L - 0 0 20 -2,-0.3 2,-0.7 -23,-0.1 3,-0.1 -0.672 36.6-137.4 -86.6 150.0 60.4 -2.5 24.2 58 58 A N > - 0 0 22 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.918 13.5-169.9-108.3 105.9 63.9 -3.6 23.6 59 59 A D H > S+ 0 0 82 -2,-0.7 4,-2.2 2,-0.2 5,-0.2 0.714 86.7 61.5 -70.3 -21.6 66.3 -0.6 23.6 60 60 A E H > S+ 0 0 154 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.964 109.2 41.9 -64.6 -51.7 69.1 -2.8 22.3 61 61 A W H > S+ 0 0 28 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.887 116.3 48.6 -58.3 -43.3 67.0 -3.5 19.2 62 62 A L H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.906 112.1 46.5 -67.4 -39.3 65.8 0.1 18.9 63 63 A M H 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.736 111.7 54.1 -83.7 -16.0 69.2 1.7 19.2 64 64 A A H 3< S+ 0 0 49 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.675 90.8 106.3 -77.1 -22.6 70.6 -0.9 16.8 65 65 A A << - 0 0 6 -4,-0.9 -57,-0.2 -3,-0.5 3,-0.1 -0.220 53.2-163.2 -65.9 148.4 68.0 -0.0 14.0 66 66 A D S S+ 0 0 77 -59,-2.6 24,-0.7 1,-0.3 2,-0.3 0.640 90.0 20.9 -87.0 -24.8 68.5 1.9 10.8 67 67 A L E -ad 8 90A 4 -60,-1.7 -58,-2.3 22,-0.1 2,-0.5 -0.949 65.4-159.9-149.0 128.3 64.7 2.3 10.6 68 68 A I E -ad 9 91A 0 22,-2.8 24,-2.7 -2,-0.3 2,-0.7 -0.921 5.8-161.5-107.5 126.9 62.0 2.1 13.2 69 69 A V E -ad 10 92A 2 -60,-3.0 -58,-2.4 -2,-0.5 2,-0.6 -0.874 16.1-160.3-105.6 99.8 58.4 1.5 12.0 70 70 A A E -a 11 0A 2 22,-2.8 24,-0.3 -2,-0.7 -58,-0.1 -0.689 13.1-132.2 -93.0 122.7 56.1 2.6 14.8 71 71 A S > - 0 0 11 -60,-2.2 3,-1.9 -2,-0.6 -59,-0.1 -0.310 29.2-114.0 -52.8 146.7 52.5 1.4 15.1 72 72 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.704 111.3 72.4 -58.3 -19.0 50.1 4.2 15.7 73 73 A G T 3 S+ 0 0 31 -62,-0.2 2,-0.5 2,-0.1 -61,-0.1 0.429 85.2 74.6 -84.7 2.2 49.4 2.7 19.1 74 74 A I S < S- 0 0 18 -3,-1.9 2,-0.3 -63,-0.1 -63,-0.0 -0.969 84.5-122.6-113.8 131.4 52.8 3.6 20.5 75 75 A A > - 0 0 29 -2,-0.5 3,-1.9 1,-0.2 6,-0.2 -0.485 4.8-143.3 -65.5 126.8 53.5 7.2 21.5 76 76 A L T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -2,-0.3 9,-0.1 0.666 104.4 65.9 -52.4 -22.8 56.5 8.9 19.8 77 77 A A T 3 S+ 0 0 78 109,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.557 71.2 123.4 -79.1 -9.4 57.0 10.5 23.3 78 78 A H S X> S- 0 0 61 -3,-1.9 4,-2.6 1,-0.1 3,-1.4 -0.295 73.9-123.0 -55.1 132.1 57.7 7.0 24.7 79 79 A P H 3> S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.867 109.7 51.1 -51.0 -40.8 61.2 7.4 26.3 80 80 A S H 3> S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.804 112.3 47.1 -65.3 -30.5 62.7 4.6 24.3 81 81 A L H <> S+ 0 0 0 -3,-1.4 4,-2.2 -6,-0.2 -1,-0.2 0.890 110.7 48.9 -84.3 -39.1 61.4 6.1 21.1 82 82 A S H X S+ 0 0 45 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.849 106.8 57.9 -70.5 -28.3 62.6 9.6 21.7 83 83 A A H X S+ 0 0 42 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.948 108.5 46.7 -55.7 -51.1 66.0 8.3 22.7 84 84 A A H <>S+ 0 0 0 -4,-1.4 5,-2.1 2,-0.2 -2,-0.2 0.908 111.7 50.5 -57.4 -42.8 66.2 6.7 19.2 85 85 A A H ><5S+ 0 0 51 -4,-2.2 3,-2.5 1,-0.3 -2,-0.2 0.950 106.5 54.6 -65.1 -46.6 65.0 10.0 17.6 86 86 A D H 3<5S+ 0 0 138 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.828 104.1 56.7 -49.8 -35.2 67.6 11.9 19.5 87 87 A A T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.477 120.3-111.3 -77.5 -0.9 70.2 9.5 18.0 88 88 A G T < 5 + 0 0 69 -3,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.656 64.5 154.2 75.6 17.5 69.0 10.4 14.5 89 89 A I < - 0 0 27 -5,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.681 48.5-115.4 -78.2 130.2 67.4 7.1 13.9 90 90 A E E -d 67 0A 91 -24,-0.7 -22,-2.8 -2,-0.4 2,-0.4 -0.399 31.0-166.5 -75.9 134.2 64.6 7.4 11.3 91 91 A I E +d 68 0A 35 -24,-0.2 2,-0.2 -2,-0.1 -22,-0.2 -0.993 17.0 154.9-124.9 125.1 61.1 6.7 12.6 92 92 A V E -d 69 0A 2 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.2 -0.809 28.1-131.7-131.3 175.4 58.1 6.2 10.3 93 93 A G > - 0 0 0 72,-0.9 4,-1.9 -2,-0.2 3,-0.3 -0.738 38.6 -90.3-120.1 179.1 54.7 4.4 10.3 94 94 A D H > S+ 0 0 3 -24,-0.3 4,-2.4 1,-0.2 5,-0.1 0.843 124.4 55.5 -54.7 -38.8 52.9 2.1 7.9 95 95 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 105.0 52.1 -63.9 -41.3 51.2 5.0 6.2 96 96 A E H > S+ 0 0 0 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.922 110.1 49.0 -61.5 -45.1 54.6 6.6 5.4 97 97 A L H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.908 111.3 50.9 -59.0 -46.6 55.7 3.3 3.9 98 98 A F H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-1.6 0.936 107.0 52.3 -50.0 -53.5 52.5 3.2 1.8 99 99 A C H 3< S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 104.4 57.1 -64.6 -29.4 52.9 6.8 0.5 100 100 A R H 3< S+ 0 0 62 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.673 118.7 31.2 -69.4 -23.5 56.4 6.1 -0.7 101 101 A E H << S+ 0 0 50 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.672 87.5 116.9-106.5 -28.9 55.2 3.2 -2.9 102 102 A A < - 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