==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-10 2Y28 . COMPND 2 MOLECULE: 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMP . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR C.CARRASCO-LOPEZ,A.ROJAS-ALTUVE,W.ZHANG,D.HESEK,M.LEE,S.BARB . 537 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.6 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 2 0.4 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 . 43 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3 1 3 4 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 6 0 0 0 3 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 . 0 7 5 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 . 9 0 0 0 3 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 1 A X 0 0 81 0, 0.0 2,-0.3 0, 0.0 141,-0.1 0.000 360.0 360.0 360.0-152.1 -39.1 0.8 0.9 2 2 A L - 0 0 111 2,-0.0 7,-2.7 6,-0.0 2,-0.4 -0.539 360.0-165.8 -87.5 133.2 -40.8 1.1 4.3 3 3 A L E -A 8 0A 49 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.903 0.7-167.9-111.2 144.6 -42.3 4.3 5.6 4 4 A D E > -A 7 0A 69 3,-2.8 3,-2.5 -2,-0.4 -2,-0.0 -0.891 68.9 -42.5-136.7 101.5 -43.2 4.8 9.3 5 5 A E T 3 S- 0 0 177 -2,-0.4 3,-0.1 1,-0.3 86,-0.1 0.865 125.5 -37.2 46.0 48.3 -45.3 7.9 10.2 6 6 A G T 3 S+ 0 0 13 1,-0.2 84,-2.6 83,-0.1 2,-0.5 0.341 120.1 108.1 89.5 -6.6 -43.3 10.1 7.8 7 7 A W E < S-A 4 0A 31 -3,-2.5 -3,-2.8 82,-0.2 2,-0.3 -0.891 74.1-121.4-108.6 133.6 -39.9 8.5 8.5 8 8 A L E > -A 3 0A 0 -2,-0.5 3,-1.0 -5,-0.2 -5,-0.2 -0.569 29.3-135.2 -62.2 126.3 -38.0 6.3 6.2 9 9 A A T 3 S+ 0 0 44 -7,-2.7 -1,-0.1 -2,-0.3 -6,-0.1 0.831 97.9 39.2 -60.3 -35.7 -37.7 3.1 8.3 10 10 A E T 3 S+ 0 0 158 -8,-0.3 -1,-0.2 2,-0.1 74,-0.2 0.435 90.2 110.7 -97.7 0.6 -34.0 2.5 7.6 11 11 A A S < S- 0 0 13 -3,-1.0 2,-0.5 1,-0.1 74,-0.2 -0.364 76.5-111.0 -71.5 151.4 -32.7 6.1 7.7 12 12 A R E -b 85 0B 95 72,-2.9 74,-3.0 2,-0.0 2,-0.5 -0.766 41.0-133.4 -75.0 124.1 -30.5 7.3 10.5 13 13 A R E +b 86 0B 106 -2,-0.5 74,-0.2 72,-0.2 72,-0.0 -0.739 36.8 165.6 -92.0 125.4 -32.7 9.7 12.4 14 14 A V - 0 0 25 72,-2.8 2,-0.1 -2,-0.5 -1,-0.1 -0.706 28.6-151.4-128.9 76.6 -31.4 13.2 13.4 15 15 A P - 0 0 89 0, 0.0 73,-0.2 0, 0.0 72,-0.1 -0.327 13.4-153.7 -60.6 122.8 -34.7 15.0 14.3 16 16 A S - 0 0 4 71,-2.4 37,-0.1 -2,-0.1 38,-0.1 -0.744 22.4-141.2 -99.2 141.9 -34.2 18.7 13.7 17 17 A P S S+ 0 0 98 0, 0.0 2,-1.9 0, 0.0 36,-0.1 0.627 84.3 95.7 -65.2 -15.3 -36.0 21.6 15.4 18 18 A H + 0 0 20 34,-0.4 77,-0.5 54,-0.1 2,-0.3 -0.399 64.8 84.5 -86.2 63.3 -36.0 23.2 11.9 19 19 A Y E +G 94 0C 85 -2,-1.9 2,-0.2 75,-0.1 75,-0.2 -0.992 42.8 174.8-150.5 161.4 -39.4 22.2 10.6 20 20 A D E -G 93 0C 58 73,-1.8 73,-3.1 -2,-0.3 2,-0.2 -0.743 43.2 -50.4-144.4-163.9 -43.0 23.4 10.7 21 21 A C E -G 92 0C 78 -2,-0.2 71,-0.1 71,-0.2 3,-0.0 -0.498 40.2-125.0 -80.5 142.7 -46.4 22.5 9.1 22 22 A R > - 0 0 3 69,-0.5 3,-1.8 -2,-0.2 4,-0.1 -0.740 46.9-105.2 -71.3 126.8 -47.2 22.0 5.5 23 23 A P G > S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.279 100.7 8.7 -55.7 141.6 -50.1 24.5 4.9 24 24 A D G 3 S- 0 0 29 1,-0.3 3,-0.1 196,-0.1 -2,-0.0 0.602 117.3 -85.9 66.4 12.5 -53.5 22.7 4.6 25 25 A D G < S- 0 0 109 -3,-1.8 -1,-0.3 1,-0.2 2,-0.1 0.804 74.1-178.1 59.1 28.0 -52.0 19.4 5.7 26 26 A E < - 0 0 54 -3,-1.8 -1,-0.2 -4,-0.1 -4,-0.1 -0.344 28.3-122.3 -66.1 134.1 -51.1 19.0 2.0 27 27 A N - 0 0 91 -3,-0.1 -1,-0.1 1,-0.1 64,-0.1 -0.571 35.5-110.1 -69.1 133.1 -49.4 15.8 0.8 28 28 A P + 0 0 3 0, 0.0 119,-0.2 0, 0.0 84,-0.2 -0.363 37.7 175.1 -68.7 149.8 -46.1 16.7 -0.9 29 29 A S + 0 0 30 82,-2.7 2,-0.4 1,-0.1 83,-0.2 0.361 54.7 71.0-132.5 -0.8 -46.1 16.1 -4.7 30 30 A L E -c 112 0B 0 81,-1.5 83,-2.7 78,-0.1 2,-0.5 -0.983 58.5-153.9-129.5 129.0 -42.6 17.4 -5.7 31 31 A L E -cd 113 151B 0 119,-2.5 121,-2.4 -2,-0.4 2,-0.5 -0.907 12.7-163.7 -95.9 125.7 -39.1 16.0 -5.1 32 32 A V E -cd 114 152B 0 81,-2.7 83,-2.3 -2,-0.5 2,-0.5 -0.963 7.0-151.0-110.6 121.1 -36.4 18.7 -5.1 33 33 A V E +cd 115 153B 0 119,-3.0 121,-2.0 -2,-0.5 122,-0.3 -0.785 23.2 171.0 -93.2 129.3 -32.8 17.4 -5.5 34 34 A H E -c 116 0B 1 81,-2.5 83,-2.5 -2,-0.5 2,-0.3 -0.762 21.0-143.7-122.8 170.0 -30.1 19.5 -3.9 35 35 A N E +c 117 0B 24 -2,-0.2 2,-0.3 81,-0.2 83,-0.2 -0.954 18.6 174.6-130.7 164.7 -26.4 19.2 -3.1 36 36 A I E +c 118 0B 24 81,-1.5 83,-2.3 -2,-0.3 2,-0.3 -0.983 11.7 178.1-162.1 149.0 -24.3 20.4 -0.2 37 37 A S - 0 0 17 -2,-0.3 6,-0.2 81,-0.2 4,-0.1 -0.916 24.8-130.0-155.1 135.1 -20.8 20.3 1.2 38 38 A L S S+ 0 0 7 4,-0.6 7,-0.4 -2,-0.3 9,-0.3 -0.994 98.6 21.9-137.2 123.0 -19.5 21.9 4.4 39 39 A P S > S- 0 0 9 0, 0.0 3,-2.5 0, 0.0 6,-0.1 0.772 124.9 -86.1 -63.4 167.5 -17.0 23.4 4.2 40 40 A P T 3 S+ 0 0 66 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 -0.135 112.2 6.3 -48.5 130.4 -17.5 24.0 0.4 41 41 A G T 3 S+ 0 0 49 78,-0.2 2,-0.4 1,-0.2 79,-0.1 0.359 106.5 110.3 78.6 -4.9 -16.0 21.1 -1.6 42 42 A E < - 0 0 109 -3,-2.5 -4,-0.6 77,-0.1 2,-0.3 -0.833 50.3-158.6-107.3 141.8 -15.2 19.0 1.5 43 43 A F + 0 0 40 459,-0.5 -6,-0.1 -2,-0.4 36,-0.0 -0.843 57.6 37.8-118.2 153.8 -17.0 15.8 2.5 44 44 A G S S+ 0 0 28 -2,-0.3 319,-0.3 1,-0.2 -1,-0.1 0.168 71.1 132.6 104.1 -17.5 -17.6 13.8 5.7 45 45 A G - 0 0 16 -7,-0.4 3,-0.3 1,-0.1 4,-0.2 0.041 65.2-123.4 -61.1 170.3 -18.0 16.4 8.5 46 46 A P S > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.314 91.7 99.9 -84.7 6.0 -20.6 16.6 11.2 47 47 A W H > S+ 0 0 74 -9,-0.3 4,-2.9 1,-0.2 5,-0.2 0.832 71.7 52.2 -71.0 -35.9 -21.3 20.0 9.7 48 48 A I H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.924 110.7 49.2 -64.5 -44.5 -24.3 19.2 7.6 49 49 A D H > S+ 0 0 27 -4,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.942 113.6 48.0 -57.2 -45.6 -26.1 17.7 10.6 50 50 A A H >X>S+ 0 0 15 -4,-2.1 5,-2.6 1,-0.2 6,-0.8 0.917 111.9 48.0 -64.8 -45.3 -25.2 20.8 12.7 51 51 A L H ><5S+ 0 0 10 -4,-2.9 3,-1.2 1,-0.2 21,-0.4 0.952 112.8 47.6 -58.0 -50.4 -26.4 23.2 10.0 52 52 A F H 3<5S+ 0 0 4 -4,-2.6 -34,-0.4 1,-0.3 -1,-0.2 0.587 115.0 46.5 -72.3 -9.6 -29.7 21.4 9.5 53 53 A T H <<5S- 0 0 22 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.387 113.4-114.3-109.8 0.3 -30.3 21.2 13.3 54 54 A G T <<5S+ 0 0 44 -3,-1.2 -3,-0.2 -4,-0.6 -4,-0.1 0.707 88.8 105.3 78.1 24.3 -29.4 24.8 14.0 55 55 A T < + 0 0 97 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.227 38.2 143.3-120.7 13.9 -26.3 24.0 16.0 56 56 A I - 0 0 20 -6,-0.8 3,-0.1 -5,-0.1 -9,-0.0 -0.290 52.7-123.2 -64.0 139.3 -23.4 24.9 13.8 57 57 A D > - 0 0 82 1,-0.2 3,-1.5 2,-0.0 4,-0.3 -0.725 17.6-157.5 -80.1 110.8 -20.3 26.4 15.4 58 58 A P T 3 S+ 0 0 53 0, 0.0 3,-0.5 0, 0.0 7,-0.3 0.793 90.6 50.4 -65.1 -24.2 -19.7 29.7 13.5 59 59 A N T 3 S+ 0 0 144 1,-0.2 4,-0.0 5,-0.1 -2,-0.0 0.489 83.7 88.9 -90.0 -4.2 -16.1 29.7 14.4 60 60 A A S < S- 0 0 42 -3,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.732 106.9 -0.6 -71.1 -21.4 -15.2 26.2 13.3 61 61 A H S >> S- 0 0 61 -3,-0.5 3,-1.6 -4,-0.3 4,-0.7 -0.944 74.8-112.4-162.0 146.5 -14.4 27.4 9.8 62 62 A P H >> S+ 0 0 110 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.858 115.9 56.5 -52.7 -38.4 -14.5 30.8 8.1 63 63 A Y H 3> S+ 0 0 113 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.746 96.2 65.0 -63.9 -25.5 -17.4 29.7 5.9 64 64 A F H <> S+ 0 0 0 -3,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.772 89.0 66.9 -73.7 -24.0 -19.6 28.8 8.9 65 65 A A H << S+ 0 0 62 -3,-0.9 4,-0.3 -4,-0.7 3,-0.3 0.920 101.8 47.3 -62.0 -42.1 -19.7 32.5 10.1 66 66 A G H < S+ 0 0 46 -4,-0.6 3,-0.3 -3,-0.3 -1,-0.2 0.753 117.1 40.9 -72.0 -25.7 -21.7 33.5 7.1 67 67 A I H >< S+ 0 0 17 -4,-0.8 3,-1.7 -3,-0.2 -1,-0.2 0.502 86.6 90.9-102.7 -6.1 -24.2 30.7 7.2 68 68 A A T 3< S+ 0 0 44 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.749 84.0 60.0 -59.3 -21.6 -24.7 30.6 11.0 69 69 A H T 3 S+ 0 0 154 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.656 84.7 104.0 -83.0 -14.4 -27.6 33.1 10.5 70 70 A L < - 0 0 59 -3,-1.7 2,-0.6 1,-0.1 -3,-0.0 -0.362 57.2-156.6 -68.3 141.1 -29.5 30.7 8.2 71 71 A R + 0 0 182 -2,-0.1 2,-0.3 2,-0.0 -19,-0.1 -0.824 45.6 138.1-111.2 87.5 -32.6 28.8 9.4 72 72 A V + 0 0 38 -2,-0.6 2,-0.3 -21,-0.4 -18,-0.2 -0.836 21.3 153.9-133.0 166.1 -32.5 25.9 7.0 73 73 A S - 0 0 0 22,-2.3 2,-0.3 -2,-0.3 3,-0.1 -0.946 21.3-144.4-168.1 179.5 -33.0 22.1 6.8 74 74 A A - 0 0 0 -2,-0.3 13,-0.3 1,-0.1 41,-0.1 -0.937 29.5-113.0-147.3 167.8 -34.0 19.4 4.4 75 75 A H S S+ 0 0 0 39,-1.4 12,-2.7 -2,-0.3 13,-1.2 0.953 94.1 5.7 -68.9 -48.5 -35.9 16.1 4.7 76 76 A C E -Ef 86 115B 0 38,-1.5 40,-3.3 10,-0.2 2,-0.4 -0.967 53.8-153.1-136.3 151.9 -32.8 13.9 4.0 77 77 A L E -Ef 85 116B 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.972 10.4-159.8-113.1 137.1 -29.1 13.9 3.4 78 78 A I E -Ef 84 117B 0 38,-3.1 40,-2.4 -2,-0.4 6,-0.2 -0.946 18.8-149.8-114.8 110.6 -27.5 11.2 1.3 79 79 A R > - 0 0 25 4,-2.8 3,-2.5 -2,-0.6 -36,-0.0 -0.154 30.6 -94.3 -78.7 173.3 -23.8 11.0 2.1 80 80 A R T 3 S+ 0 0 28 1,-0.3 49,-0.4 2,-0.1 48,-0.2 0.839 126.0 50.0 -57.1 -34.5 -21.0 10.0 -0.3 81 81 A D T 3 S- 0 0 58 280,-0.1 -1,-0.3 47,-0.1 -2,-0.1 0.352 125.2-100.0 -86.9 7.3 -21.1 6.4 1.0 82 82 A G < + 0 0 3 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.426 68.0 156.7 90.5 -1.9 -24.8 6.2 0.6 83 83 A E - 0 0 34 278,-0.1 -4,-2.8 -5,-0.1 2,-0.6 -0.407 32.7-146.2 -61.2 127.4 -25.7 6.8 4.2 84 84 A I E - E 0 78B 13 -6,-0.2 -72,-2.9 -74,-0.2 2,-0.4 -0.869 17.3-176.3-100.2 119.8 -29.2 8.1 4.5 85 85 A V E -bE 12 77B 0 -8,-2.8 -8,-2.4 -2,-0.6 2,-0.5 -0.938 8.7-157.4-115.2 133.0 -29.8 10.7 7.3 86 86 A Q E +bE 13 76B 0 -74,-3.0 -72,-2.8 -2,-0.4 -10,-0.2 -0.962 20.5 166.9-116.8 132.8 -33.3 12.0 7.9 87 87 A Y + 0 0 0 -12,-2.7 -71,-2.4 -2,-0.5 -12,-0.2 0.688 66.5 34.3-108.1 -31.0 -34.0 15.3 9.7 88 88 A V S S- 0 0 0 -13,-1.2 -1,-0.3 -73,-0.2 6,-0.1 -0.993 82.3-109.9-137.0 133.4 -37.6 16.0 9.0 89 89 A P > - 0 0 5 0, 0.0 3,-2.0 0, 0.0 -82,-0.2 -0.347 32.9-120.7 -59.1 143.5 -40.7 13.8 8.6 90 90 A F T 3 S+ 0 0 0 -84,-2.6 4,-0.1 1,-0.3 -84,-0.1 0.750 111.4 58.1 -61.8 -25.4 -42.0 13.8 5.1 91 91 A D T 3 S+ 0 0 68 -86,-0.1 -69,-0.5 -64,-0.1 -1,-0.3 0.508 99.9 75.2 -82.4 -3.7 -45.4 15.1 6.1 92 92 A K E < S-G 21 0C 61 -3,-2.0 2,-0.8 -86,-0.1 -71,-0.2 -0.628 89.5-102.1-108.7 167.9 -43.8 18.2 7.6 93 93 A R E -G 20 0C 55 -73,-3.1 -73,-1.8 -2,-0.2 2,-0.2 -0.788 32.7-167.6 -98.3 109.3 -42.2 21.3 6.0 94 94 A A E -G 19 0C 0 -2,-0.8 2,-0.9 18,-0.3 3,-0.3 -0.555 26.1-121.2 -87.0 163.3 -38.5 21.4 5.8 95 95 A W S S+ 0 0 41 -77,-0.5 -22,-2.3 -2,-0.2 -2,-0.0 -0.705 70.8 112.7-111.8 77.9 -36.7 24.6 4.9 96 96 A H + 0 0 16 -2,-0.9 -1,-0.2 -24,-0.2 -22,-0.1 0.597 65.2 49.3-126.5 -19.7 -34.7 23.7 1.8 97 97 A A S S- 0 0 1 -3,-0.3 11,-0.1 1,-0.1 -2,-0.1 0.697 71.1-176.2-103.2 -25.0 -36.0 25.5 -1.3 98 98 A G + 0 0 41 9,-0.1 10,-0.4 2,-0.1 11,-0.4 -0.197 63.3 5.5 57.7-150.4 -36.2 29.2 -0.2 99 99 A V S S+ 0 0 123 8,-0.1 2,-0.3 9,-0.1 7,-0.0 -0.486 94.6 140.8 -63.9 122.8 -37.7 31.6 -2.8 100 100 A S - 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