==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-09 2WWC . COMPND 2 MOLECULE: 1,4-BETA-N-ACETYLMURAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR I.PEREZ-DORADO,R.SANLES,J.A.HERMOSO,A.GONZALEZ,A.GARCIA,P.GA . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 . 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 . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 2 0 0 0 1 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 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 PARALLEL BRIDGES PER LADDER . 10 2 4 1 8 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 11 0 0 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 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 38 A A 0 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.3 38.7 -59.4 -6.5 2 39 A A + 0 0 55 1,-0.4 9,-0.1 9,-0.0 2,-0.1 0.563 360.0 37.3-124.2 -93.0 37.7 -60.1 -2.9 3 40 A A + 0 0 25 7,-0.0 -1,-0.4 11,-0.0 2,-0.3 -0.356 66.1 171.8 -70.3 152.7 35.3 -58.0 -0.7 4 41 A Y E -A 11 0A 124 7,-2.1 7,-3.4 -3,-0.1 2,-0.3 -0.992 34.9-102.4-161.4 152.5 32.2 -56.4 -2.3 5 42 A W E -A 10 0A 59 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.616 24.0-171.9 -76.5 133.9 29.0 -54.6 -1.7 6 43 A D E > -A 9 0A 86 3,-3.2 3,-2.0 -2,-0.3 2,-0.3 -0.766 61.4 -71.8-125.0 84.8 25.8 -56.5 -1.9 7 44 A G T 3 S- 0 0 61 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.523 118.6 -9.0 61.1-123.3 23.0 -53.9 -1.7 8 45 A D T 3 S+ 0 0 56 -2,-0.3 32,-2.0 -3,-0.1 -1,-0.3 0.579 127.6 81.8 -77.7 -12.5 23.0 -52.7 1.9 9 46 A Y E < -A 6 0A 77 -3,-2.0 -3,-3.2 30,-0.2 2,-0.5 -0.571 66.3-145.2 -99.9 158.3 25.5 -55.5 2.9 10 47 A Y E -A 5 0A 24 28,-0.5 8,-3.2 8,-0.2 2,-0.6 -0.986 6.3-152.3-126.6 123.2 29.2 -55.7 2.7 11 48 A V E -AB 4 17A 11 -7,-3.4 -7,-2.1 -2,-0.5 6,-0.2 -0.854 22.3-146.3 -98.1 121.2 31.0 -59.0 2.0 12 49 A K > - 0 0 49 4,-3.0 3,-1.8 -2,-0.6 -8,-0.1 -0.093 30.3 -88.9 -82.0 178.4 34.5 -59.0 3.5 13 50 A D T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.845 125.7 56.0 -51.5 -40.9 37.8 -60.7 2.4 14 51 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.434 119.4-109.0 -76.9 1.1 37.0 -63.9 4.3 15 52 A G S < S+ 0 0 56 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.338 82.1 118.5 88.5 -7.9 33.6 -64.2 2.4 16 53 A S S S- 0 0 53 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.630 70.9-103.4 -91.2 152.3 31.5 -63.4 5.5 17 54 A K B -B 11 0A 112 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.529 38.0-114.0 -72.1 134.9 29.1 -60.4 5.8 18 55 A A - 0 0 1 -8,-3.2 2,-0.3 -2,-0.3 -8,-0.2 -0.266 37.8-177.3 -61.4 153.2 30.4 -57.5 7.8 19 56 A Q - 0 0 122 15,-0.1 17,-0.2 3,-0.1 16,-0.2 -0.910 56.9 -10.1-159.4 131.3 28.5 -56.8 11.0 20 57 A S S S+ 0 0 62 15,-1.4 2,-0.3 -2,-0.3 15,-0.2 0.918 106.6 100.9 45.3 59.8 28.8 -54.1 13.7 21 58 A E E S-C 34 0B 55 13,-1.9 13,-3.0 14,-0.1 2,-0.3 -0.990 73.0-106.6-165.9 157.5 32.1 -52.7 12.4 22 59 A W E -C 33 0B 73 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.701 33.1-170.7 -89.0 139.3 33.8 -50.1 10.4 23 60 A I E -C 32 0B 13 9,-2.8 9,-2.4 -2,-0.3 2,-0.6 -0.984 15.3-144.2-128.5 144.7 35.1 -51.0 7.0 24 61 A F E -C 31 0B 73 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.942 12.9-152.4-108.6 122.1 37.3 -49.0 4.7 25 62 A D E >> -C 30 0B 14 5,-2.8 4,-1.7 -2,-0.6 5,-1.4 -0.846 3.7-161.4 -96.0 116.0 36.5 -49.4 1.0 26 63 A N T 45S+ 0 0 114 -2,-0.7 -1,-0.1 2,-0.2 5,-0.0 0.780 88.8 58.5 -67.2 -28.3 39.6 -48.8 -1.2 27 64 A Y T 45S+ 0 0 194 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.959 120.0 28.0 -65.9 -50.2 37.6 -48.2 -4.4 28 65 A Y T 45S- 0 0 102 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.640 98.8-136.8 -80.3 -17.2 35.7 -45.3 -2.8 29 66 A K T <5 + 0 0 142 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.900 66.1 114.9 55.1 43.8 38.6 -44.4 -0.4 30 67 A A E < -C 25 0B 10 -5,-1.4 -5,-2.8 26,-0.0 2,-0.3 -0.961 66.7-116.4-142.2 156.9 36.0 -44.0 2.3 31 68 A W E -C 24 0B 101 -2,-0.3 26,-2.3 -7,-0.2 2,-0.3 -0.689 27.5-171.3 -91.6 148.8 35.0 -45.4 5.6 32 69 A F E -C 23 0B 4 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.6 -0.977 17.6-137.0-138.1 144.0 31.5 -47.1 6.2 33 70 A Y E -C 22 0B 24 22,-0.4 8,-2.8 -2,-0.3 2,-0.5 -0.939 14.8-157.1-105.6 123.9 29.8 -48.3 9.3 34 71 A I E -CD 21 40B 0 -13,-3.0 -13,-1.9 -2,-0.6 6,-0.2 -0.877 17.1-139.7-100.5 123.4 28.1 -51.6 9.0 35 72 A N > - 0 0 42 4,-2.8 3,-2.3 -2,-0.5 -15,-1.4 -0.077 30.0 -92.5 -78.4 178.9 25.3 -52.1 11.6 36 73 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -17,-0.2 -2,-0.0 0.721 127.4 56.7 -65.5 -21.2 24.3 -55.2 13.7 37 74 A D T 3 S- 0 0 73 2,-0.2 -1,-0.3 -18,-0.0 3,-0.1 0.346 120.3-110.6 -88.3 3.0 21.8 -56.1 10.9 38 75 A G S < S+ 0 0 6 -3,-2.3 -28,-0.5 1,-0.3 2,-0.3 0.462 79.6 122.9 84.0 2.2 24.7 -56.1 8.4 39 76 A R - 0 0 99 -30,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.763 65.2-109.7-101.7 144.0 23.5 -52.9 6.6 40 77 A Y B -D 34 0B 47 -32,-2.0 -6,-0.2 -2,-0.3 2,-0.2 -0.417 30.0-120.5 -71.9 143.4 25.5 -49.8 6.1 41 78 A S + 0 0 1 -8,-2.8 2,-0.3 14,-0.2 -8,-0.3 -0.537 38.1 171.0 -74.4 144.2 24.6 -46.6 8.1 42 79 A Q + 0 0 60 -2,-0.2 10,-0.2 1,-0.1 11,-0.2 -0.981 56.7 12.6-155.7 150.9 23.6 -43.6 6.0 43 80 A N S S+ 0 0 90 8,-1.1 2,-0.3 9,-0.3 9,-0.2 0.907 113.0 81.6 50.4 46.1 22.2 -40.1 6.7 44 81 A E E S-E 51 0C 83 7,-1.6 7,-3.2 -3,-0.1 2,-0.2 -0.977 78.7 -98.6-168.4 166.9 22.8 -40.7 10.4 45 82 A W E -E 50 0C 48 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.624 16.3-168.5 -95.6 149.8 25.4 -40.6 13.2 46 83 A H E > -E 49 0C 62 3,-3.0 3,-1.9 -2,-0.2 2,-0.2 -0.829 66.1 -61.2-133.8 103.5 27.4 -43.5 14.7 47 84 A G T 3 S- 0 0 62 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 -0.447 122.7 -9.7 62.0-122.7 29.1 -42.3 17.9 48 85 A N T 3 S+ 0 0 73 -2,-0.2 32,-2.0 -3,-0.1 2,-0.3 0.383 124.6 82.2 -86.6 5.3 31.4 -39.4 16.9 49 86 A Y E < -E 46 0C 60 -3,-1.9 -3,-3.0 30,-0.2 2,-0.5 -0.824 63.3-146.3-120.3 147.4 31.0 -40.0 13.2 50 87 A Y E -E 45 0C 26 28,-0.4 8,-2.9 -2,-0.3 2,-0.6 -0.952 9.4-150.6-114.0 131.4 28.4 -39.0 10.6 51 88 A L E -EF 44 57C 0 -7,-3.2 -7,-1.6 -2,-0.5 -8,-1.1 -0.896 18.5-147.7-103.1 121.0 27.6 -41.2 7.6 52 89 A K > - 0 0 60 4,-3.2 3,-2.5 -2,-0.6 -9,-0.3 -0.031 41.8 -57.9 -77.1 178.1 26.5 -39.3 4.5 53 90 A S G > S+ 0 0 83 1,-0.3 3,-0.6 -11,-0.2 -1,-0.2 -0.373 131.7 24.8 -56.5 134.0 24.0 -40.3 1.8 54 91 A G G 3 S- 0 0 21 1,-0.2 -1,-0.3 -3,-0.1 -12,-0.1 0.422 129.3 -82.3 83.3 -1.8 25.2 -43.6 0.3 55 92 A G G < S+ 0 0 0 -3,-2.5 -22,-0.4 1,-0.3 -1,-0.2 0.213 79.1 149.6 99.7 -14.1 27.1 -44.4 3.5 56 93 A Y < - 0 0 83 -3,-0.6 -4,-3.2 -5,-0.2 2,-0.3 -0.305 49.7-120.3 -61.0 125.0 30.4 -42.4 3.0 57 94 A M B -F 51 0C 11 -26,-2.3 -6,-0.2 -6,-0.2 -26,-0.2 -0.492 28.8-119.5 -64.9 130.0 31.8 -41.2 6.4 58 95 A A + 0 0 0 -8,-2.9 2,-0.3 -2,-0.3 -8,-0.3 -0.428 39.0 175.2 -69.1 141.8 32.0 -37.4 6.4 59 96 A Q - 0 0 59 -2,-0.1 17,-0.2 3,-0.1 16,-0.2 -0.965 59.1 -2.6-152.8 135.0 35.6 -36.1 6.9 60 97 A N S S+ 0 0 95 15,-1.4 2,-0.3 14,-0.6 15,-0.2 0.903 109.4 100.0 50.7 49.3 37.1 -32.6 6.8 61 98 A E E S-G 74 0D 53 13,-1.5 13,-2.8 14,-0.1 2,-0.2 -0.999 73.1-104.1-160.7 158.2 33.6 -31.1 6.1 62 99 A W E -G 73 0D 69 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.589 28.9-171.0 -79.6 146.4 30.5 -29.4 7.3 63 100 A I E -G 72 0D 23 9,-2.3 9,-2.5 -2,-0.2 2,-0.6 -0.996 12.8-151.3-134.9 131.7 27.3 -31.2 7.8 64 101 A Y E -G 71 0D 103 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.937 13.2-159.2 -99.5 120.3 23.9 -29.6 8.5 65 102 A D E >> -G 70 0D 8 5,-2.7 5,-1.7 -2,-0.6 4,-1.2 -0.889 7.5-163.6-104.8 112.7 21.7 -32.0 10.5 66 103 A S T 45S+ 0 0 84 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.673 87.8 58.6 -69.5 -20.8 18.1 -31.1 10.2 67 104 A N T 45S+ 0 0 135 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.910 117.0 32.6 -73.2 -43.0 17.1 -33.3 13.2 68 105 A Y T 45S- 0 0 116 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.574 102.2-136.2 -84.8 -10.6 19.5 -31.4 15.5 69 106 A K T <5 + 0 0 144 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.936 67.1 108.4 50.4 50.9 18.8 -28.2 13.6 70 107 A S E - 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