==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-13 4M6H . COMPND 2 MOLECULE: PEPTIDOGLYCAN AMIDASE RV3717; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.M.PRIGOZHIN,D.MAVRICI,J.P.HUIZAR,H.J.VANSELL,T.ALBER,TB ST . 352 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.0 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 5 0 0 2 0 0 0 1 0 0 0 3 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 24 A I > 0 0 68 0, 0.0 3,-1.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -5.4 38.2 24.1 15.9 2 25 A A T 3 + 0 0 74 1,-0.2 42,-0.3 42,-0.1 41,-0.1 -0.410 360.0 25.9 -62.0 131.9 39.3 24.4 19.5 3 26 A G T 3 S+ 0 0 32 40,-2.0 -1,-0.2 1,-0.4 41,-0.1 0.101 92.4 121.9 99.1 -19.1 36.4 24.0 22.0 4 27 A M < - 0 0 28 -3,-1.5 41,-2.9 1,-0.1 2,-0.5 -0.249 60.4-122.1 -65.8 163.1 34.4 21.8 19.6 5 28 A V E -a 45 0A 0 39,-0.2 68,-2.6 66,-0.2 69,-1.5 -0.943 23.9-174.1-124.1 128.8 33.5 18.3 20.8 6 29 A V E -ab 46 74A 0 39,-3.3 41,-1.4 -2,-0.5 2,-0.6 -0.977 13.3-151.5-122.9 128.2 34.3 15.0 19.2 7 30 A F E -ab 47 75A 4 67,-2.7 69,-2.4 -2,-0.4 2,-0.5 -0.862 14.8-158.5 -94.2 123.4 33.0 11.6 20.4 8 31 A I E -ab 48 76A 0 39,-3.4 41,-1.4 -2,-0.6 69,-0.2 -0.909 6.9-170.1-108.6 126.3 35.4 8.8 19.6 9 32 A D E - b 0 77A 5 67,-2.8 69,-2.9 -2,-0.5 2,-0.6 -0.856 8.6-158.7-120.4 94.2 34.0 5.3 19.4 10 33 A P E - b 0 78A 0 0, 0.0 69,-0.2 0, 0.0 19,-0.1 -0.643 37.6-111.9 -68.9 115.1 36.7 2.5 19.2 11 34 A G + 0 0 0 67,-3.8 17,-0.2 -2,-0.6 18,-0.2 -0.124 53.2 151.1 -59.0 144.1 34.6 -0.3 17.7 12 35 A H + 0 0 37 46,-0.1 2,-0.2 16,-0.1 13,-0.2 0.504 69.7 19.2-130.1 -70.6 34.0 -3.3 19.9 13 36 A N 0 0 68 45,-0.3 47,-0.1 12,-0.1 -2,-0.0 -0.355 360.0 360.0-110.7 50.4 30.8 -5.3 19.3 14 37 A G 0 0 67 -2,-0.2 128,-0.2 126,-0.0 -3,-0.1 0.494 360.0 360.0 63.7 360.0 29.8 -4.2 15.8 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 62 A T 0 0 79 0, 0.0 8,-2.1 0, 0.0 9,-0.3 0.000 360.0 360.0 360.0-162.8 37.3 -10.2 14.0 17 63 A S B -G 23 0B 27 6,-0.2 5,-0.0 7,-0.1 2,-0.0 -0.976 360.0 -94.8-159.3 160.9 41.0 -10.3 14.3 18 64 A T > - 0 0 4 4,-2.3 3,-1.3 -2,-0.3 141,-0.2 -0.245 48.1 -96.9 -70.8 170.4 44.2 -10.5 12.2 19 65 A N T 3 S+ 0 0 133 139,-0.6 -1,-0.1 1,-0.3 140,-0.1 0.857 127.1 53.7 -55.5 -38.7 45.9 -13.8 11.3 20 66 A S T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.579 124.0-104.7 -76.8 -9.6 48.3 -13.3 14.3 21 67 A G < + 0 0 45 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.519 65.7 154.1 99.8 7.5 45.4 -12.8 16.6 22 68 A Y - 0 0 40 136,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.614 43.2-130.5 -67.2 112.5 45.6 -9.1 17.1 23 69 A P B >> -G 17 0B 36 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.320 6.2-128.5 -75.2 145.6 41.9 -8.2 17.9 24 70 A E H 3> S+ 0 0 18 -8,-2.1 4,-2.7 1,-0.2 5,-0.3 0.894 109.2 57.9 -51.7 -43.7 39.8 -5.5 16.3 25 71 A H H 3> S+ 0 0 48 -9,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.797 108.7 45.0 -65.0 -28.6 38.9 -4.1 19.7 26 72 A T H <> S+ 0 0 30 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.880 112.4 50.9 -79.5 -41.2 42.5 -3.5 20.6 27 73 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.916 114.0 44.0 -58.3 -46.1 43.4 -2.0 17.2 28 74 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 -17,-0.2 -1,-0.2 0.861 112.7 53.5 -70.5 -36.9 40.5 0.5 17.4 29 75 A W H X S+ 0 0 43 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.957 112.9 40.8 -60.2 -53.9 41.3 1.3 21.0 30 76 A E H X S+ 0 0 58 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.900 118.0 46.8 -68.5 -41.1 45.0 2.1 20.5 31 77 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.876 110.5 55.2 -64.9 -38.3 44.3 4.0 17.2 32 78 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.881 105.6 51.3 -60.1 -41.1 41.4 5.8 19.0 33 79 A L H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.852 109.4 49.7 -67.3 -35.0 43.8 7.0 21.7 34 80 A R H X S+ 0 0 73 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.898 111.6 48.9 -68.2 -41.2 46.2 8.4 19.2 35 81 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 111.2 50.6 -60.6 -45.2 43.3 10.2 17.5 36 82 A R H X S+ 0 0 72 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.932 110.8 47.7 -57.3 -49.9 42.2 11.5 20.9 37 83 A A H X S+ 0 0 59 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.890 112.3 50.1 -60.4 -41.0 45.7 12.8 21.7 38 84 A A H X S+ 0 0 25 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.897 113.0 46.2 -63.3 -42.8 46.0 14.4 18.3 39 85 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.1 0.900 108.8 54.9 -67.9 -41.9 42.6 16.1 18.7 40 86 A N H ><5S+ 0 0 38 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.841 100.8 60.4 -58.6 -34.5 43.5 17.2 22.3 41 87 A A H 3<5S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.763 102.2 53.2 -66.1 -26.8 46.6 18.9 20.8 42 88 A L T <<5S- 0 0 76 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.405 122.6-106.1 -87.0 1.0 44.2 21.0 18.7 43 89 A G T < 5S+ 0 0 14 -3,-1.7 -40,-2.0 1,-0.3 2,-0.3 0.535 74.3 146.4 82.2 7.0 42.2 22.1 21.7 44 90 A V < - 0 0 0 -5,-1.9 2,-0.3 -42,-0.3 -1,-0.3 -0.566 48.1-126.4 -75.8 137.2 39.4 19.8 20.6 45 91 A R E -a 5 0A 42 -41,-2.9 -39,-3.3 -2,-0.3 2,-0.3 -0.689 31.5-170.1 -91.1 136.9 37.4 18.2 23.3 46 92 A T E -a 6 0A 1 188,-1.7 2,-0.3 -2,-0.3 -39,-0.2 -0.889 18.6-173.9-130.4 156.0 37.1 14.4 23.2 47 93 A A E -a 7 0A 9 -41,-1.4 -39,-3.4 -2,-0.3 2,-0.3 -0.985 18.1-141.1-139.6 147.0 35.2 11.5 24.8 48 94 A L E -a 8 0A 19 -2,-0.3 -39,-0.2 -41,-0.2 3,-0.1 -0.793 16.1-133.0-105.7 154.8 35.7 7.8 24.4 49 95 A S S S+ 0 0 5 -41,-1.4 2,-0.3 -2,-0.3 -40,-0.1 0.704 93.8 22.9 -74.7 -20.6 32.9 5.3 24.2 50 96 A R - 0 0 17 7,-0.1 -1,-0.1 -21,-0.0 7,-0.0 -0.973 62.4-144.5-147.6 160.9 34.8 3.2 26.6 51 97 A G S S+ 0 0 66 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 0.281 81.4 20.1-108.9 4.7 37.5 3.5 29.3 52 98 A N - 0 0 68 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.923 68.3-119.3-160.0 176.7 39.4 0.3 28.8 53 99 A D + 0 0 34 -2,-0.3 4,-0.1 4,-0.0 -24,-0.0 -0.152 55.5 145.7-123.0 37.6 40.0 -2.5 26.3 54 100 A N - 0 0 108 2,-0.2 -2,-0.1 1,-0.1 -29,-0.0 -0.044 69.6 -90.2 -63.5 177.3 38.7 -5.5 28.3 55 101 A A S S+ 0 0 80 2,-0.0 2,-0.3 -30,-0.0 -1,-0.1 0.737 110.8 54.6 -68.7 -21.2 37.0 -8.4 26.6 56 102 A L + 0 0 139 -43,-0.0 -2,-0.2 0, 0.0 -43,-0.0 -0.852 63.0 178.6-115.5 152.5 33.6 -6.7 27.0 57 103 A G - 0 0 29 -2,-0.3 -7,-0.1 -4,-0.1 -4,-0.0 -0.844 38.2 -68.5-140.2 176.5 32.4 -3.2 25.9 58 104 A P - 0 0 21 0, 0.0 -45,-0.3 0, 0.0 -46,-0.1 -0.306 51.7-105.1 -73.9 154.9 29.1 -1.2 26.1 59 105 A C > - 0 0 65 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.150 32.5-103.2 -68.0 166.2 26.0 -2.0 24.0 60 106 A V H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.837 119.0 50.7 -65.0 -33.1 24.9 -0.1 20.9 61 107 A D H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 108.3 49.6 -72.3 -42.9 22.1 1.7 22.8 62 108 A E H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.899 110.8 50.8 -64.1 -38.4 24.3 3.0 25.7 63 109 A R H X S+ 0 0 18 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.855 110.9 49.0 -64.7 -36.7 26.9 4.3 23.2 64 110 A A H X S+ 0 0 13 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.908 111.1 49.6 -66.6 -43.3 24.2 6.1 21.3 65 111 A N H X S+ 0 0 84 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 112.0 49.2 -63.6 -42.6 22.9 7.6 24.5 66 112 A M H X S+ 0 0 41 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.935 114.2 44.7 -57.4 -49.9 26.4 8.6 25.5 67 113 A A H >X S+ 0 0 5 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.960 116.1 44.8 -61.4 -51.9 27.0 10.3 22.1 68 114 A N H >< S+ 0 0 30 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.859 109.2 56.4 -61.1 -38.1 23.7 12.0 21.9 69 115 A A H 3< S+ 0 0 5 -4,-2.3 157,-1.9 -5,-0.3 -1,-0.3 0.766 107.2 51.1 -65.0 -25.9 23.9 13.2 25.5 70 116 A L H << S- 0 0 2 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.601 94.5-146.5 -87.7 -15.0 27.2 14.9 24.7 71 117 A R << - 0 0 77 -3,-0.9 -66,-0.2 -4,-0.7 -3,-0.1 0.926 28.0-166.1 50.0 54.9 25.8 16.7 21.6 72 118 A P - 0 0 3 0, 0.0 -66,-0.2 0, 0.0 3,-0.1 -0.254 33.3-132.0 -73.5 163.9 29.1 16.4 19.8 73 119 A N S S+ 0 0 35 -68,-2.6 2,-0.3 1,-0.3 -67,-0.2 0.751 95.6 10.0 -72.9 -29.6 30.2 18.3 16.7 74 120 A A E -b 6 0A 0 -69,-1.5 -67,-2.7 74,-0.1 2,-0.5 -0.991 59.3-158.0-154.8 145.2 31.3 15.0 15.3 75 121 A I E -bc 7 150A 6 74,-2.1 76,-2.0 -2,-0.3 2,-0.5 -0.994 16.3-178.1-122.7 126.3 31.0 11.3 16.1 76 122 A V E -bc 8 151A 0 -69,-2.4 -67,-2.8 -2,-0.5 2,-0.4 -0.982 8.2-163.7-130.1 121.3 33.6 8.9 14.6 77 123 A S E -bc 9 152A 9 74,-2.0 76,-3.0 -2,-0.5 2,-0.5 -0.859 9.9-150.0-102.3 140.3 33.5 5.2 15.1 78 124 A L E +bc 10 153A 0 -69,-2.9 -67,-3.8 -2,-0.4 2,-0.3 -0.936 28.3 151.9-115.8 127.9 36.7 3.2 14.3 79 125 A H E - c 0 154A 6 74,-2.5 76,-2.5 -2,-0.5 2,-0.3 -0.846 30.5-142.1-138.7 174.5 36.4 -0.3 13.2 80 126 A A E - 0 0 4 -2,-0.3 77,-0.2 74,-0.2 -56,-0.1 -0.985 21.9-126.4-142.5 145.7 38.2 -2.9 11.1 81 127 A D E - c 0 157A 41 75,-3.5 77,-3.2 -2,-0.3 78,-0.2 -0.252 8.3-158.2 -84.6 169.8 36.8 -5.5 8.8 82 128 A G + 0 0 32 75,-0.2 3,-0.1 76,-0.2 75,-0.1 -0.220 47.3 121.3-141.4 46.9 37.2 -9.3 8.5 83 129 A G S S- 0 0 21 1,-0.3 76,-0.2 4,-0.1 -2,-0.0 -0.120 71.2 -25.3 -99.8-164.8 36.2 -10.3 5.0 84 130 A P > - 0 0 99 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.136 64.0-124.5 -42.4 135.1 38.0 -12.0 2.1 85 131 A A T 3 S+ 0 0 50 1,-0.3 72,-0.1 74,-0.1 -2,-0.1 0.709 105.4 66.4 -66.6 -19.8 41.7 -11.5 2.5 86 132 A S T 3 S+ 0 0 99 74,-0.1 2,-0.4 75,-0.1 -1,-0.3 0.725 84.1 93.1 -71.2 -19.2 42.2 -10.0 -1.0 87 133 A G < + 0 0 1 -3,-1.8 2,-0.3 41,-0.1 73,-0.2 -0.624 55.2 166.7 -80.5 128.5 40.1 -7.1 0.2 88 134 A R + 0 0 79 -2,-0.4 39,-1.4 37,-0.1 40,-0.2 -0.991 24.2 39.3-142.4 144.2 42.1 -4.2 1.6 89 135 A G S S- 0 0 0 -2,-0.3 36,-0.2 37,-0.2 2,-0.2 -0.378 72.7 -54.5 113.1 176.6 41.5 -0.6 2.6 90 136 A F B -h 125 0C 0 34,-2.6 36,-4.2 -2,-0.1 2,-0.3 -0.516 31.1-175.5 -95.4 157.7 39.0 1.7 4.1 91 137 A H E -D 154 0A 2 63,-1.7 63,-2.6 34,-0.2 2,-0.6 -0.971 20.0-137.9-144.0 144.8 35.5 2.6 3.6 92 138 A V E -De 153 134A 0 41,-2.7 43,-2.7 -2,-0.3 2,-0.3 -0.891 18.9-153.6-105.3 118.9 33.4 5.3 5.3 93 139 A N E +De 152 135A 0 59,-3.1 59,-2.1 -2,-0.6 2,-0.3 -0.719 17.6 171.3 -95.1 141.3 29.9 4.3 6.3 94 140 A Y E - e 0 136A 52 41,-1.8 43,-2.6 -2,-0.3 2,-0.3 -0.978 40.0 -88.0-143.6 157.8 27.1 6.8 6.7 95 141 A S E - 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