==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-01 1JFX . COMPND 2 MOLECULE: 1,4-BETA-N-ACETYLMURAMIDASE M1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR A.RAU,T.HOGG,R.MARQUARDT,R.HILGENFELD . 217 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 1 0 1 1 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 D 0 0 72 0, 0.0 183,-0.1 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 109.5 30.9 19.2 8.7 2 2 A T + 0 0 91 4,-0.1 2,-0.1 199,-0.1 4,-0.1 0.335 360.0 111.8 -90.4 7.6 30.5 19.8 5.0 3 3 A S - 0 0 59 2,-0.1 0, 0.0 198,-0.0 0, 0.0 -0.321 67.8 -1.3 -82.8 163.0 31.0 16.1 4.0 4 4 A G S S+ 0 0 67 197,-0.1 2,-0.3 -2,-0.1 201,-0.1 -0.213 118.1 7.3 63.6-151.5 28.5 13.6 2.6 5 5 A V S S- 0 0 18 199,-0.6 197,-2.2 197,-0.4 2,-0.3 -0.502 78.2-173.3 -69.8 124.4 24.9 14.5 1.9 6 6 A Q E +A 201 0A 9 20,-0.4 22,-3.1 -2,-0.3 23,-1.1 -0.841 12.6 158.7-123.2 155.8 24.4 18.3 2.5 7 7 A G E -Ab 200 29A 0 193,-2.6 193,-2.7 -2,-0.3 2,-0.3 -0.905 22.9-132.1-157.6-175.8 21.5 20.7 2.6 8 8 A I E -Ab 199 30A 0 21,-1.6 23,-1.6 -2,-0.3 2,-0.3 -0.854 7.5-144.8-138.4 171.2 20.2 24.1 3.8 9 9 A D E +Ab 198 31A 3 189,-1.3 189,-0.9 -2,-0.3 2,-0.3 -0.985 24.4 177.4-138.9 144.0 17.2 25.5 5.5 10 10 A V E - b 0 32A 0 21,-2.0 23,-2.6 -2,-0.3 2,-0.2 -0.943 15.9-176.7-144.4 165.6 15.7 28.9 4.8 11 11 A S > - 0 0 7 -2,-0.3 3,-2.2 21,-0.2 4,-0.2 -0.762 61.0 -67.6-145.3-171.7 12.9 31.3 5.6 12 12 A H G > S+ 0 0 63 1,-0.3 3,-2.0 -2,-0.2 4,-0.0 0.750 122.4 76.9 -59.9 -20.1 11.9 34.7 4.3 13 13 A W G 3 S+ 0 0 200 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.779 87.9 58.9 -60.6 -25.2 15.1 36.1 5.9 14 14 A Q G < S- 0 0 29 -3,-2.2 180,-0.5 1,-0.2 -1,-0.3 0.480 93.8-161.4 -83.3 -1.8 17.0 34.6 2.9 15 15 A G < + 0 0 19 -3,-2.0 2,-0.5 -4,-0.2 -1,-0.2 -0.224 53.4 6.0 61.3-144.4 15.0 36.6 0.4 16 16 A S S S- 0 0 93 2,-0.0 2,-0.4 31,-0.0 178,-0.4 -0.639 74.3-163.5 -77.8 123.3 14.9 35.6 -3.3 17 17 A I - 0 0 12 -2,-0.5 2,-1.0 176,-0.1 176,-0.2 -0.898 19.7-146.6-114.1 135.1 16.6 32.3 -3.8 18 18 A N >> - 0 0 81 174,-2.2 4,-1.3 -2,-0.4 3,-0.6 -0.835 18.2-173.1 -96.6 98.2 17.8 30.8 -7.1 19 19 A W H 3> S+ 0 0 5 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.759 79.0 62.4 -67.2 -24.8 17.2 27.1 -6.4 20 20 A S H 3> S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 106.5 48.6 -67.2 -32.4 18.9 25.9 -9.6 21 21 A S H <> S+ 0 0 35 -3,-0.6 4,-1.5 2,-0.2 170,-0.3 0.856 107.4 53.7 -72.0 -33.9 22.1 27.5 -8.1 22 22 A V H <>S+ 0 0 0 -4,-1.3 5,-1.7 2,-0.2 4,-0.2 0.919 112.0 46.0 -64.8 -43.1 21.5 25.8 -4.7 23 23 A K H ><5S+ 0 0 90 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.928 111.8 49.3 -65.6 -45.7 21.3 22.4 -6.5 24 24 A S H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.761 99.9 67.0 -68.8 -19.9 24.4 23.0 -8.7 25 25 A A T 3<5S- 0 0 55 -4,-1.5 -1,-0.3 166,-0.2 -2,-0.2 0.594 126.4-100.5 -70.8 -12.4 26.3 24.1 -5.6 26 26 A G T < 5S+ 0 0 51 -3,-1.8 -20,-0.4 1,-0.3 2,-0.2 0.478 72.0 147.8 106.6 4.6 25.9 20.4 -4.5 27 27 A M < - 0 0 7 -5,-1.7 -1,-0.3 1,-0.1 -20,-0.2 -0.527 25.4-173.8 -74.8 140.4 23.0 20.6 -2.1 28 28 A S + 0 0 41 -22,-3.1 30,-2.4 -2,-0.2 2,-0.3 0.682 63.3 15.5-103.0 -27.3 20.7 17.6 -1.9 29 29 A F E -bc 7 58A 0 -23,-1.1 -21,-1.6 28,-0.2 2,-0.3 -0.928 54.2-168.3-146.6 167.1 18.0 18.8 0.4 30 30 A A E -bc 8 59A 0 28,-1.8 30,-2.2 -2,-0.3 2,-0.4 -0.980 14.7-146.8-157.8 145.9 16.3 21.7 2.1 31 31 A Y E -bc 9 60A 0 -23,-1.6 -21,-2.0 -2,-0.3 2,-0.4 -0.951 22.6-160.5-112.3 138.1 13.8 22.6 4.8 32 32 A I E -bc 10 61A 0 28,-2.3 30,-1.9 -2,-0.4 -21,-0.2 -0.971 21.5-113.8-123.8 130.1 11.7 25.7 4.2 33 33 A K E + c 0 62A 18 -23,-2.6 30,-0.2 -2,-0.4 11,-0.1 -0.424 41.7 160.9 -66.8 132.3 9.8 27.7 6.8 34 34 A A E + 0 0 0 28,-2.6 8,-3.1 1,-0.4 2,-0.3 0.759 55.1 4.5-111.8 -62.8 6.1 27.5 6.3 35 35 A T E -Dc 41 63A 0 27,-1.0 29,-2.7 6,-0.2 -1,-0.4 -0.806 48.8-163.8-129.0 166.0 4.2 28.5 9.4 36 36 A E E >> -Dc 40 64A 25 4,-1.7 4,-2.1 -2,-0.3 3,-0.6 -0.984 60.8 -28.0-148.8 140.5 4.7 29.8 12.9 37 37 A G T 34 S- 0 0 6 27,-2.5 29,-0.1 -2,-0.3 41,-0.0 -0.186 109.5 -42.4 53.9-139.4 2.4 29.8 15.9 38 38 A T T 34 S+ 0 0 61 1,-0.1 -1,-0.2 -3,-0.1 27,-0.0 0.636 134.0 13.4 -98.8 -18.6 -1.3 29.9 15.0 39 39 A N T <4 S+ 0 0 135 -3,-0.6 2,-0.4 2,-0.0 -2,-0.2 0.276 87.5 110.2-147.9 19.0 -1.4 32.5 12.2 40 40 A Y E < -D 36 0A 78 -4,-2.1 -4,-1.7 2,-0.0 2,-0.4 -0.845 38.0-175.6-100.0 136.2 2.0 33.3 10.8 41 41 A K E -D 35 0A 65 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.999 30.7-116.8-130.3 128.0 2.8 32.2 7.2 42 42 A D > - 0 0 4 -8,-3.1 3,-1.2 -2,-0.4 4,-0.4 -0.470 18.8-144.2 -65.3 125.3 6.2 32.7 5.7 43 43 A D T 3 S+ 0 0 150 -2,-0.3 4,-0.2 1,-0.3 -1,-0.1 0.712 97.9 47.6 -65.1 -22.0 5.8 35.0 2.6 44 44 A R T 3> S+ 0 0 107 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.465 85.6 97.6 -96.6 -3.6 8.5 33.2 0.6 45 45 A F H <> S+ 0 0 9 -3,-1.2 4,-3.1 1,-0.2 5,-0.3 0.900 79.4 47.7 -52.3 -55.7 7.2 29.7 1.3 46 46 A S H > S+ 0 0 81 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.901 115.8 44.3 -56.1 -44.7 5.1 29.0 -1.8 47 47 A A H > S+ 0 0 52 -4,-0.2 4,-3.1 2,-0.2 5,-0.3 0.927 115.8 47.2 -68.3 -43.5 7.8 30.1 -4.2 48 48 A N H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.940 112.6 49.5 -62.4 -45.2 10.6 28.3 -2.3 49 49 A Y H X S+ 0 0 46 -4,-3.1 4,-1.3 -5,-0.2 -1,-0.2 0.895 116.8 42.0 -60.6 -41.3 8.6 25.1 -2.1 50 50 A T H X S+ 0 0 71 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.956 118.2 43.7 -70.7 -51.4 7.8 25.2 -5.8 51 51 A N H X S+ 0 0 71 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.836 110.7 53.4 -67.7 -35.0 11.3 26.3 -7.0 52 52 A A H <>S+ 0 0 0 -4,-2.9 5,-2.4 -5,-0.3 4,-0.4 0.943 111.7 47.7 -64.5 -44.0 13.2 23.9 -4.8 53 53 A Y H ><5S+ 0 0 73 -4,-1.3 3,-1.8 -5,-0.3 -2,-0.2 0.951 111.1 49.8 -61.0 -48.9 11.1 21.0 -6.1 54 54 A N H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.2 55.7 -62.1 -28.6 11.6 22.1 -9.7 55 55 A A T 3<5S- 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.542 120.7-107.9 -80.5 -6.7 15.3 22.3 -9.2 56 56 A G T < 5 + 0 0 22 -3,-1.8 2,-0.4 -4,-0.4 -3,-0.2 0.627 68.6 147.0 90.8 14.7 15.5 18.7 -8.0 57 57 A I < - 0 0 0 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.677 52.7-126.9 -84.5 133.7 16.1 19.5 -4.3 58 58 A I E +c 29 0A 23 -30,-2.4 -28,-1.8 -2,-0.4 2,-0.3 -0.754 49.0 179.0 -78.8 114.9 14.5 17.0 -1.9 59 59 A R E +ce 30 92A 13 32,-2.7 34,-1.8 -2,-0.8 2,-0.3 -0.911 24.7 178.1-131.8 153.9 12.6 19.5 0.2 60 60 A G E -c 31 0A 1 -30,-2.2 -28,-2.3 -2,-0.3 2,-0.3 -0.830 24.6-115.4-139.6 175.9 10.3 19.7 3.2 61 61 A A E -c 32 0A 3 32,-0.4 35,-2.0 -2,-0.3 2,-0.3 -0.779 20.6-151.6-114.2 157.5 8.6 22.4 5.3 62 62 A Y E -cf 33 96A 16 -30,-1.9 -28,-2.6 -2,-0.3 -27,-1.0 -0.967 5.0-146.3-132.9 151.5 8.9 23.4 8.9 63 63 A H E -cf 35 97A 0 33,-2.7 35,-3.1 -2,-0.3 2,-0.9 -0.965 13.6-140.7-113.9 125.9 6.7 24.9 11.6 64 64 A F E -cf 36 98A 20 -29,-2.7 -27,-2.5 -2,-0.5 35,-0.2 -0.778 30.3-137.1 -87.3 108.8 8.0 27.2 14.2 65 65 A A - 0 0 0 33,-2.6 35,-0.3 -2,-0.9 -27,-0.1 -0.343 26.0-175.3 -68.6 144.7 6.1 26.2 17.4 66 66 A R >> - 0 0 60 4,-0.1 3,-2.0 33,-0.1 4,-0.6 -0.733 8.3-177.1-134.3 79.5 4.6 28.7 19.9 67 67 A P T 34 S+ 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.668 77.9 61.8 -54.6 -19.7 3.4 26.2 22.5 68 68 A N T 34 S+ 0 0 96 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 0.739 97.8 59.8 -77.6 -23.5 1.9 29.0 24.6 69 69 A A T <4 S- 0 0 50 -3,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.705 119.0 -25.3 -81.7 -24.6 -0.5 30.0 21.8 70 70 A S S < S- 0 0 34 -4,-0.6 -1,-0.2 -3,-0.2 -4,-0.1 -0.950 80.9 -64.7-173.8 174.3 -2.6 26.9 21.2 71 71 A S > - 0 0 57 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.199 43.1-112.6 -71.8 165.7 -2.4 23.1 21.7 72 72 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.857 119.2 55.2 -66.1 -35.6 -0.0 20.8 19.9 73 73 A T H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 107.5 48.9 -61.7 -48.1 -3.0 19.3 18.0 74 74 A A H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.901 112.6 45.7 -60.9 -43.7 -4.1 22.7 16.8 75 75 A Q H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.841 109.4 55.7 -72.1 -28.5 -0.7 23.8 15.5 76 76 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.912 110.1 45.9 -67.4 -41.1 -0.1 20.4 13.8 77 77 A D H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 112.1 51.1 -65.8 -43.5 -3.4 20.9 11.8 78 78 A Y H X S+ 0 0 45 -4,-2.2 4,-0.7 1,-0.2 3,-0.2 0.946 113.9 44.8 -57.6 -48.3 -2.5 24.5 11.0 79 79 A F H ><>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-1.1 0.938 111.4 51.8 -60.9 -49.2 0.9 23.3 9.7 80 80 A A H 3<5S+ 0 0 11 -4,-2.8 3,-0.4 1,-0.3 5,-0.3 0.788 113.0 46.0 -61.7 -27.2 -0.5 20.3 7.8 81 81 A S H 3<5S+ 0 0 73 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.549 116.2 46.1 -91.1 -8.3 -3.0 22.6 6.0 82 82 A N T <<5S- 0 0 60 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 -0.214 137.4 -42.0-133.2 48.1 -0.5 25.3 5.2 83 83 A G T 5S+ 0 0 19 -3,-0.4 -3,-0.2 -22,-0.1 -22,-0.1 0.082 112.9 91.4 123.6 -23.8 2.6 23.7 3.8 84 84 A G < + 0 0 1 -5,-3.0 11,-0.4 -6,-0.2 -4,-0.2 0.377 53.7 122.7 -86.6 3.3 3.3 20.7 5.9 85 85 A G - 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0 0 51 -2,-0.6 39,-0.0 -35,-0.3 -2,-0.0 -0.829 57.6 -23.8-151.8-176.9 13.1 26.0 20.5 101 101 A H S S- 0 0 83 -2,-0.2 7,-0.1 1,-0.1 6,-0.1 -0.079 71.1-108.8 -43.3 126.1 13.8 28.9 22.9 102 102 A N - 0 0 21 5,-1.0 3,-0.4 1,-0.2 -1,-0.1 -0.347 22.9-154.7 -58.3 127.3 10.8 31.2 23.1 103 103 A P S S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.632 88.3 29.6 -81.9 -11.0 11.7 34.4 21.2 104 104 A S S S- 0 0 83 2,-0.2 2,-0.3 3,-0.0 -2,-0.0 -0.340 122.6 -1.4-147.1 63.1 9.2 36.4 23.3 105 105 A G S S- 0 0 53 -3,-0.4 4,-0.1 5,-0.0 -3,-0.1 -0.941 106.4 -3.0 150.0-170.3 8.6 35.1 26.8 106 106 A A > - 0 0 65 -2,-0.3 3,-2.3 1,-0.1 -2,-0.2 -0.178 67.1-123.3 -49.9 136.4 9.6 32.3 29.1 107 107 A M T 3 S+ 0 0 63 1,-0.3 -5,-1.0 -6,-0.1 -1,-0.1 0.812 111.8 45.7 -57.3 -31.2 11.9 29.9 27.3 108 108 A a T > S- 0 0 24 -7,-0.1 3,-1.9 38,-0.1 -1,-0.3 0.091 114.7-115.7 -99.4 20.9 9.7 26.9 27.9 109 109 A Y T < - 0 0 8 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.656 61.2 -66.4 59.5 22.7 6.5 28.8 26.9 110 110 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 -5,-0.0 -1,-0.3 0.597 103.1 125.9 78.1 8.4 4.9 28.7 30.3 111 111 A L < - 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