==== 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 24-MAR-00 1E0D . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.FANCHON,J.BERTRAND,L.CHANTALAT,O.DIDEBERG . 429 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.6 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 . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 24.0 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 1 1 1 0 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 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 PARALLEL BRIDGES PER LADDER . 2 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 0 2 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 81 0, 0.0 2,-0.6 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 -75.6 7.1 39.1 18.0 2 2 A D + 0 0 121 1,-0.1 25,-0.0 2,-0.1 0, 0.0 -0.942 360.0 169.9-111.8 120.2 5.6 41.6 15.5 3 3 A Y > + 0 0 11 -2,-0.6 3,-2.2 24,-0.1 -1,-0.1 0.283 22.6 147.4-111.8 10.9 5.1 40.3 12.0 4 4 A Q T 3 S+ 0 0 94 1,-0.3 3,-0.1 25,-0.1 25,-0.1 -0.162 73.9 1.6 -54.8 131.7 3.1 43.1 10.5 5 5 A G T 3 S+ 0 0 75 23,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.427 96.1 136.2 74.2 -5.1 3.6 43.7 6.9 6 6 A K < - 0 0 97 -3,-2.2 2,-0.9 1,-0.1 -1,-0.3 -0.548 59.8-126.3 -77.7 140.6 6.1 40.9 6.6 7 7 A N - 0 0 49 -2,-0.2 59,-4.2 57,-0.1 60,-2.3 -0.792 40.0-177.2 -84.2 110.0 5.7 38.6 3.6 8 8 A V E -a 67 0A 3 -2,-0.9 24,-2.2 22,-0.3 2,-0.4 -0.919 13.6-167.9-118.8 131.3 5.5 35.2 5.3 9 9 A V E -ab 68 32A 0 58,-2.8 60,-3.2 -2,-0.5 2,-0.5 -0.961 8.1-150.9-120.3 141.2 5.2 31.8 3.7 10 10 A I E -ab 69 33A 0 22,-3.0 24,-2.4 -2,-0.4 2,-0.6 -0.872 1.8-154.4-109.8 133.8 4.4 28.6 5.3 11 11 A I E +ab 70 34A 11 58,-3.1 60,-1.0 -2,-0.5 24,-0.2 -0.910 63.6 44.5-105.8 119.7 5.6 25.2 4.2 12 12 A G - 0 0 8 22,-3.7 23,-0.2 -2,-0.6 22,-0.1 0.177 52.2-152.1 118.8 122.5 3.3 22.4 5.2 13 13 A L + 0 0 0 4,-0.1 29,-1.1 20,-0.1 -1,-0.1 0.013 64.3 103.6-111.9 25.2 -0.4 21.9 5.1 14 14 A G S > S- 0 0 24 27,-0.1 4,-2.0 28,-0.1 5,-0.2 -0.065 97.4 -73.3 -87.6-157.0 -0.7 19.4 8.0 15 15 A L H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.821 132.4 52.3 -71.0 -30.0 -1.9 20.4 11.4 16 16 A T H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 111.4 46.4 -70.4 -45.6 1.3 22.3 12.3 17 17 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.869 112.9 50.0 -63.8 -38.3 1.1 24.4 9.2 18 18 A L H X S+ 0 0 24 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.940 106.7 55.4 -67.4 -43.1 -2.6 25.0 9.7 19 19 A S H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.856 109.6 47.4 -54.8 -37.7 -1.8 26.1 13.3 20 20 A C H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.938 107.1 55.1 -71.5 -44.3 0.7 28.6 11.8 21 21 A V H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.3 5,-0.2 0.966 111.3 46.0 -50.5 -51.4 -1.8 29.9 9.3 22 22 A D H X S+ 0 0 114 -4,-2.9 4,-2.0 1,-0.2 -1,-0.3 0.875 107.8 58.4 -56.4 -38.1 -4.1 30.5 12.3 23 23 A F H < S+ 0 0 5 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.942 110.9 39.9 -61.2 -48.2 -1.3 32.2 14.3 24 24 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-1.4 0.885 111.3 55.1 -72.9 -36.1 -0.6 34.8 11.6 25 25 A L H ><5S+ 0 0 64 -4,-2.4 3,-1.9 -5,-0.3 -1,-0.2 0.907 102.5 60.0 -62.1 -31.4 -4.3 35.5 10.8 26 26 A A T 3<5S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.667 107.9 47.0 -68.4 -16.7 -4.8 36.2 14.5 27 27 A R T < 5S- 0 0 84 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.011 125.9 -95.1-113.4 28.7 -2.3 38.9 14.1 28 28 A G T < 5S+ 0 0 57 -3,-1.9 2,-0.4 1,-0.2 -23,-0.3 0.825 86.7 123.8 68.3 26.5 -3.5 40.6 11.0 29 29 A V < - 0 0 8 -5,-2.6 -2,-0.2 -8,-0.1 -1,-0.2 -0.984 47.5-159.4-128.5 126.2 -1.2 38.7 8.7 30 30 A T - 0 0 85 -2,-0.4 -22,-0.3 -3,-0.1 21,-0.1 -0.862 21.7-167.6-101.3 99.3 -2.3 36.7 5.7 31 31 A P - 0 0 0 0, 0.0 20,-0.3 0, 0.0 2,-0.3 -0.339 18.4-120.6 -80.0 172.4 0.6 34.3 5.1 32 32 A R E -b 9 0A 43 -24,-2.2 -22,-3.0 18,-0.1 2,-0.4 -0.767 28.7-152.9-105.3 161.2 0.9 32.2 1.9 33 33 A V E +bc 10 52A 0 18,-2.0 20,-1.8 -2,-0.3 2,-0.3 -0.992 16.4 173.6-141.7 142.3 1.0 28.3 2.1 34 34 A M E -bc 11 53A 0 -24,-2.4 -22,-3.7 -2,-0.4 2,-0.3 -0.953 6.9-174.1-142.2 160.5 2.4 25.5 0.1 35 35 A D E -Dc 56 54A 9 18,-2.0 20,-1.3 21,-0.5 21,-0.9 -0.970 27.9-135.3-153.3 138.2 2.8 21.7 0.5 36 36 A T S S+ 0 0 72 -2,-0.3 -1,-0.1 19,-0.2 21,-0.1 0.926 83.3 90.4 -65.0 -38.8 4.7 19.3 -1.8 37 37 A R S S- 0 0 115 17,-0.1 18,-1.6 1,-0.1 19,-0.3 -0.159 78.1-135.1 -55.5 144.4 1.8 16.8 -1.6 38 38 A M S S+ 0 0 123 1,-0.3 -1,-0.1 16,-0.2 16,-0.1 0.848 99.1 23.8 -73.9 -33.6 -0.9 17.2 -4.3 39 39 A T S S- 0 0 115 16,-0.0 -1,-0.3 15,-0.0 -2,-0.1 -0.695 79.9-168.5-129.7 80.9 -3.7 16.9 -1.9 40 40 A P > - 0 0 2 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.483 28.9-123.8 -72.7 149.5 -2.6 17.8 1.6 41 41 A P G > S+ 0 0 83 0, 0.0 3,-0.9 0, 0.0 -27,-0.1 0.902 109.4 54.5 -51.2 -46.7 -5.1 16.8 4.4 42 42 A G G >> S+ 0 0 1 -29,-1.1 3,-2.5 1,-0.2 4,-0.6 0.631 78.2 89.2 -68.3 -15.8 -5.2 20.4 5.5 43 43 A L G X4 S+ 0 0 52 -3,-1.3 3,-0.9 1,-0.3 -1,-0.2 0.862 82.6 63.5 -49.6 -39.2 -6.2 22.1 2.2 44 44 A D G <4 S+ 0 0 158 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.583 103.4 46.2 -57.6 -17.7 -9.8 21.6 3.2 45 45 A K G <4 S+ 0 0 145 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.467 81.0 117.1-113.0 0.1 -9.6 23.9 6.3 46 46 A L S << S- 0 0 11 -3,-0.9 2,-0.3 -4,-0.6 6,-0.0 -0.258 71.7-111.2 -68.9 147.6 -7.8 26.9 4.9 47 47 A P > - 0 0 40 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.648 28.4-125.8 -78.6 140.3 -9.5 30.3 4.9 48 48 A E T 3 S+ 0 0 168 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 0.790 104.3 72.7 -61.2 -23.3 -10.2 31.1 1.2 49 49 A A T 3 S+ 0 0 79 2,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.656 83.2 83.1 -66.2 -15.5 -8.4 34.4 1.7 50 50 A V S < S- 0 0 2 -3,-2.2 2,-0.2 -18,-0.0 -18,-0.1 -0.804 78.9-131.0 -98.2 133.2 -5.0 32.6 1.8 51 51 A E - 0 0 103 -2,-0.5 -18,-2.0 -20,-0.3 2,-0.3 -0.508 28.5-169.7 -76.0 141.7 -3.2 31.6 -1.3 52 52 A R E -c 33 0A 83 -2,-0.2 2,-0.4 -20,-0.2 -18,-0.2 -0.941 14.9-162.7-135.0 155.7 -2.0 28.1 -1.4 53 53 A H E -c 34 0A 53 -20,-1.8 -18,-2.0 -2,-0.3 2,-0.3 -0.985 14.8-179.4-141.7 123.5 0.2 26.0 -3.7 54 54 A T E +c 35 0A 32 -2,-0.4 -16,-0.2 -20,-0.2 -18,-0.2 -0.848 55.3 43.5-123.8 159.4 0.3 22.2 -3.7 55 55 A G S S+ 0 0 36 -18,-1.6 2,-0.3 -20,-1.3 -19,-0.2 0.306 119.1 8.0 95.0 -11.5 2.1 19.5 -5.5 56 56 A S B S-D 35 0A 54 -21,-0.9 2,-0.5 -19,-0.3 -21,-0.5 -0.957 90.6 -77.6-176.3-178.6 5.4 21.3 -5.1 57 57 A L - 0 0 14 -2,-0.3 2,-1.2 -23,-0.1 3,-0.1 -0.905 39.5-131.9-100.5 124.9 7.2 24.2 -3.5 58 58 A N > - 0 0 29 -2,-0.5 4,-1.9 1,-0.2 3,-0.3 -0.629 22.0-169.3 -75.6 98.7 6.5 27.5 -5.2 59 59 A D H > S+ 0 0 85 -2,-1.2 4,-3.2 1,-0.2 5,-0.3 0.867 84.1 59.0 -57.2 -39.0 10.1 28.8 -5.4 60 60 A E H > S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.930 107.9 47.0 -55.0 -48.2 8.9 32.3 -6.5 61 61 A W H 4 S+ 0 0 20 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.865 112.8 48.8 -60.9 -41.6 7.0 32.4 -3.2 62 62 A L H >< S+ 0 0 1 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.978 111.0 48.8 -65.0 -52.2 9.9 31.2 -1.1 63 63 A M H 3< S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.690 111.5 50.0 -61.3 -21.5 12.4 33.7 -2.6 64 64 A A T 3< S+ 0 0 44 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.506 90.3 108.4 -95.8 -3.6 10.1 36.6 -2.2 65 65 A A < - 0 0 6 -3,-1.8 -57,-0.2 -4,-0.5 3,-0.2 -0.281 53.9-158.9 -78.9 158.3 9.3 36.0 1.5 66 66 A D S S+ 0 0 79 -59,-4.2 24,-0.7 1,-0.4 2,-0.4 0.695 89.8 21.3 -98.6 -30.8 10.5 37.9 4.5 67 67 A L E -ae 8 90A 2 -60,-2.3 -58,-2.8 22,-0.1 2,-0.5 -0.999 66.2-163.0-140.6 134.8 9.8 34.9 6.8 68 68 A I E -ae 9 91A 0 22,-2.5 24,-2.7 -2,-0.4 2,-0.8 -0.978 6.7-160.6-119.8 117.9 9.5 31.2 5.9 69 69 A V E -ae 10 92A 1 -60,-3.2 -58,-3.1 -2,-0.5 2,-0.4 -0.897 15.4-163.2-100.8 112.7 7.8 29.0 8.5 70 70 A A E -a 11 0A 3 22,-2.8 24,-0.4 -2,-0.8 -58,-0.1 -0.779 17.0-127.3-101.0 141.6 8.8 25.4 7.7 71 71 A S - 0 0 21 -60,-1.0 5,-0.1 -2,-0.4 4,-0.1 -0.657 38.6-103.8 -83.1 137.5 7.1 22.3 9.1 72 72 A P S S+ 0 0 32 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.271 77.0 82.1 -57.6 145.9 9.5 19.9 10.8 73 73 A G S > S- 0 0 17 1,-0.1 3,-2.5 -3,-0.0 4,-0.2 -0.810 99.5 -53.2 143.9 177.0 10.4 16.9 8.7 74 74 A I G > S+ 0 0 120 1,-0.3 3,-3.1 -2,-0.2 4,-0.3 0.809 118.6 81.0 -57.3 -24.4 12.6 15.8 5.9 75 75 A A G > S+ 0 0 53 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.769 73.8 76.2 -49.6 -28.3 11.2 18.8 4.0 76 76 A L G < S+ 0 0 39 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.701 92.9 52.8 -59.2 -15.7 13.8 20.8 5.9 77 77 A A G < S+ 0 0 59 -3,-3.1 -1,-0.3 -4,-0.2 -2,-0.2 0.513 76.6 127.9-100.5 -5.9 16.4 19.4 3.5 78 78 A H <> - 0 0 60 -3,-1.7 4,-1.7 -4,-0.3 3,-0.4 -0.230 65.9-127.2 -51.1 132.5 14.7 20.4 0.3 79 79 A P H > S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.796 105.7 61.2 -57.2 -32.4 17.1 22.3 -2.0 80 80 A S H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.950 104.6 47.2 -61.0 -47.6 14.6 25.2 -2.4 81 81 A L H > S+ 0 0 8 -3,-0.4 4,-2.4 -6,-0.2 -1,-0.2 0.921 110.4 54.6 -59.5 -41.3 14.6 26.0 1.4 82 82 A S H X S+ 0 0 58 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.861 107.2 48.6 -62.2 -35.2 18.4 25.8 1.3 83 83 A A H X S+ 0 0 48 -4,-1.8 4,-1.5 -3,-0.3 -1,-0.2 0.868 111.0 50.0 -71.2 -35.1 18.7 28.4 -1.5 84 84 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.885 112.7 49.1 -66.4 -37.4 16.3 30.7 0.4 85 85 A A H ><5S+ 0 0 44 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.904 108.2 51.6 -68.6 -41.0 18.6 30.1 3.3 86 86 A D H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.9 56.8 -69.4 -19.1 21.6 30.9 1.2 87 87 A A T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.479 119.6-111.8 -88.6 -1.5 19.9 34.1 0.3 88 88 A G T < 5 + 0 0 65 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.712 62.1 154.1 82.4 21.8 19.6 35.0 3.9 89 89 A I < - 0 0 27 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.711 51.4-107.6 -84.8 132.7 15.9 34.8 4.2 90 90 A E E -e 67 0A 83 -24,-0.7 -22,-2.5 -2,-0.4 2,-0.4 -0.480 36.3-169.7 -66.3 124.7 14.8 34.0 7.8 91 91 A I E +e 68 0A 43 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.944 14.8 157.2-115.0 127.9 13.6 30.5 8.3 92 92 A V E -e 69 0A 4 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.2 -0.865 28.2-133.1-140.4 174.3 11.8 29.4 11.5 93 93 A G > - 0 0 0 72,-0.9 4,-1.8 -2,-0.3 3,-0.2 -0.709 38.5 -93.3-120.5 174.8 9.5 26.7 12.7 94 94 A D H > S+ 0 0 1 -24,-0.4 4,-3.3 -2,-0.2 5,-0.2 0.909 123.4 58.5 -58.2 -41.9 6.3 26.8 14.8 95 95 A I H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.919 105.7 50.5 -57.9 -36.1 8.2 26.0 18.0 96 96 A E H > S+ 0 0 3 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.3 46.3 -69.5 -38.1 10.3 29.2 17.3 97 97 A L H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.890 113.1 53.4 -68.7 -37.8 7.2 31.3 16.8 98 98 A F H >X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.2 3,-1.1 0.954 107.4 48.3 -60.3 -51.0 5.8 29.7 20.0 99 99 A C H 3< S+ 0 0 16 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.886 106.1 56.5 -62.4 -36.8 8.8 30.5 22.2 100 100 A R H 3< S+ 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.779 117.7 36.7 -63.5 -22.4 8.9 34.1 21.1 101 101 A E H << S+ 0 0 42 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.637 86.3 113.6-104.4 -20.0 5.3 34.4 22.3 102 102 A A < - 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