==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-APR-13 4BIN . COMPND 2 MOLECULE: N-ACETYLMURAMOYL-L-ALANINE AMIDASE AMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.KERFF,M.ROCABOY,R.HERMAN,E.SAUVAGE,P.CHARLIER . 348 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 23.0 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+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 0 1 0 0 1 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 1 3 2 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 2 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 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 30 A F 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.0 10.7 56.7 -9.3 2 31 A Q > + 0 0 76 2,-0.1 3,-0.5 3,-0.1 24,-0.1 0.072 360.0 115.4-147.6 15.2 13.5 56.3 -6.7 3 32 A G T 3 S+ 0 0 52 1,-0.2 5,-0.0 5,-0.0 23,-0.0 0.809 80.9 51.8 -63.8 -31.5 14.6 52.7 -7.3 4 33 A H T 3 S+ 0 0 136 22,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.737 97.5 78.7 -77.6 -27.9 18.0 54.1 -8.4 5 34 A M < - 0 0 49 -3,-0.5 3,-0.1 1,-0.1 21,-0.1 -0.315 59.5-155.2 -82.1 162.4 18.7 56.4 -5.4 6 35 A Q S S+ 0 0 27 1,-0.3 20,-2.6 44,-0.3 2,-0.6 0.799 87.0 45.4 -95.6 -65.4 20.0 55.4 -2.0 7 36 A V E +A 25 0A 0 43,-0.3 -1,-0.3 18,-0.3 18,-0.3 -0.693 64.3 171.7 -80.1 121.7 18.6 58.2 0.2 8 37 A V E + 0 0 9 16,-2.3 2,-0.3 -2,-0.6 17,-0.2 0.688 60.2 10.6-104.7 -23.6 15.0 58.9 -0.8 9 38 A A E -A 24 0A 27 15,-1.5 15,-3.2 2,-0.0 2,-0.4 -0.980 53.6-161.0-154.6 155.6 13.8 61.5 1.8 10 39 A V E -A 23 0A 4 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.986 14.8-178.1-142.1 120.1 15.2 63.7 4.5 11 40 A R E -A 22 0A 50 11,-2.7 11,-3.2 -2,-0.4 2,-0.5 -0.965 13.8-160.1-128.2 139.7 13.1 65.2 7.4 12 41 A V E -A 21 0A 12 -2,-0.4 9,-0.2 9,-0.2 51,-0.0 -0.977 2.3-169.4-116.5 123.8 13.9 67.5 10.3 13 42 A W E -A 20 0A 54 7,-3.4 7,-2.1 -2,-0.5 2,-0.3 -0.773 12.0-163.2-108.2 85.3 11.6 67.6 13.3 14 43 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.501 23.0 153.1 -64.9 128.7 12.7 70.6 15.5 15 44 A A - 0 0 1 -2,-0.3 53,-0.1 1,-0.1 -2,-0.0 -0.970 51.6-113.6-151.0 164.1 11.3 70.5 19.0 16 45 A S S S+ 0 0 69 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.794 113.2 47.4 -71.3 -34.9 12.4 71.8 22.4 17 46 A S S S- 0 0 11 1,-0.3 2,-0.3 97,-0.1 -1,-0.2 0.832 134.5 -22.9 -71.9 -36.7 13.1 68.5 24.1 18 47 A Y - 0 0 6 96,-0.2 2,-0.5 -5,-0.1 -1,-0.3 -0.895 57.5-128.4-168.9 141.8 15.1 67.1 21.1 19 48 A T E - B 0 113A 0 94,-1.4 94,-2.6 -2,-0.3 2,-0.5 -0.912 27.5-148.4 -93.1 131.3 15.4 67.8 17.4 20 49 A R E -AB 13 112A 10 -7,-2.1 -7,-3.4 -2,-0.5 2,-0.5 -0.850 9.4-165.0-102.2 131.2 15.0 64.7 15.3 21 50 A V E -AB 12 111A 2 90,-2.6 90,-3.2 -2,-0.5 2,-0.4 -0.971 10.0-169.2-109.5 128.0 16.8 64.2 12.0 22 51 A T E -AB 11 110A 1 -11,-3.2 -11,-2.7 -2,-0.5 2,-0.5 -0.962 9.4-172.9-119.7 133.9 15.5 61.4 9.8 23 52 A V E -AB 10 109A 3 86,-2.4 86,-3.2 -2,-0.4 2,-0.4 -0.994 10.8-161.2-126.1 121.3 17.2 60.1 6.7 24 53 A E E +AB 9 108A 18 -15,-3.2 -16,-2.3 -2,-0.5 -15,-1.5 -0.883 17.6 166.0-110.3 138.5 15.2 57.5 4.7 25 54 A S E -AB 7 107A 1 82,-2.7 82,-2.0 -2,-0.4 -18,-0.3 -0.932 46.6-115.7-150.2 164.3 16.9 55.2 2.2 26 55 A N S S+ 0 0 42 -20,-2.6 2,-0.3 -2,-0.3 -19,-0.1 0.685 100.3 30.3 -79.0 -20.7 16.5 52.1 0.1 27 56 A R S S- 0 0 176 -21,-0.2 2,-0.1 80,-0.1 79,-0.0 -0.941 101.0 -84.1-133.4 153.6 19.2 50.1 1.9 28 57 A Q - 0 0 113 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.383 52.1-130.4 -54.7 129.4 20.5 50.1 5.4 29 58 A L - 0 0 11 -2,-0.1 2,-0.4 -4,-0.1 19,-0.1 -0.709 5.5-142.7 -91.5 134.1 23.1 52.9 5.7 30 59 A K E +D 47 0B 120 17,-0.6 17,-2.7 -2,-0.4 2,-0.3 -0.763 38.7 166.2 -82.8 137.1 26.5 52.6 7.2 31 60 A Y E -D 46 0B 79 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.928 30.7-154.7-144.5 166.6 27.2 55.8 9.1 32 61 A K E -D 45 0B 120 13,-1.2 13,-3.1 -2,-0.3 2,-0.4 -0.962 12.9-159.3-141.5 138.2 29.6 57.4 11.6 33 62 A Q E +D 44 0B 64 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.978 19.7 157.9-118.6 134.9 28.6 60.3 13.8 34 63 A F E -D 43 0B 70 9,-2.3 9,-2.7 -2,-0.4 2,-0.3 -0.905 30.0-116.2-146.6 175.7 31.1 62.6 15.5 35 64 A A E -D 42 0B 69 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.742 19.1-172.8-112.1 157.2 31.4 66.1 17.1 36 65 A L E > -D 41 0B 64 5,-1.9 5,-2.5 -2,-0.3 2,-0.2 -0.961 10.1-147.9-141.0 163.8 33.5 69.2 16.3 37 66 A S T 5 + 0 0 61 -2,-0.3 3,-0.2 3,-0.3 5,-0.0 -0.736 60.2 70.4-124.3 172.2 34.0 72.5 18.1 38 67 A N T 5S+ 0 0 156 -2,-0.2 -1,-0.2 3,-0.0 2,-0.1 0.885 128.6 22.0 50.3 59.2 34.7 76.2 17.1 39 68 A P T 5S- 0 0 58 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.432 114.0-116.1 -88.1 155.6 31.8 76.3 16.2 40 69 A E T 5 + 0 0 78 -3,-0.2 48,-2.1 48,-0.2 2,-0.3 -0.296 50.1 167.6 -48.7 129.3 30.0 73.4 18.0 41 70 A R E < -DE 36 87B 65 -5,-2.5 -5,-1.9 46,-0.2 2,-0.4 -0.983 34.6-146.0-147.1 153.1 28.9 70.9 15.2 42 71 A V E -DE 35 86B 2 44,-2.2 44,-3.5 -2,-0.3 2,-0.4 -0.980 22.3-163.3-120.5 140.8 27.6 67.4 14.8 43 72 A V E -DE 34 85B 0 -9,-2.7 -9,-2.3 -2,-0.4 2,-0.5 -0.983 7.9-168.4-128.0 132.3 28.8 65.5 11.7 44 73 A V E -DE 33 84B 2 40,-3.6 40,-3.6 -2,-0.4 2,-0.5 -0.982 5.5-160.0-122.0 128.2 27.3 62.4 10.1 45 74 A D E -DE 32 83B 15 -13,-3.1 -13,-1.2 -2,-0.5 2,-0.5 -0.917 8.9-163.0-102.6 127.6 29.1 60.5 7.4 46 75 A I E -DE 31 82B 1 36,-3.1 36,-2.4 -2,-0.5 3,-0.5 -0.919 4.4-151.7-116.3 128.4 26.9 58.2 5.3 47 76 A E E S+DE 30 81B 55 -17,-2.7 -17,-0.6 -2,-0.5 34,-0.2 -0.700 74.4 29.9-102.6 155.5 28.3 55.3 3.1 48 77 A D S S+ 0 0 97 32,-1.1 2,-0.4 -2,-0.3 -1,-0.2 0.649 94.5 124.8 66.5 24.7 26.9 53.8 -0.1 49 78 A V - 0 0 0 31,-1.7 2,-0.4 -3,-0.5 -1,-0.2 -0.947 48.1-161.0-117.7 133.8 25.4 57.2 -0.9 50 79 A N - 0 0 114 -2,-0.4 -43,-0.3 -3,-0.1 -44,-0.3 -0.904 38.2-108.0 -94.1 134.6 25.7 59.5 -3.9 51 80 A L + 0 0 45 -2,-0.4 2,-0.3 30,-0.1 25,-0.0 -0.332 52.0 163.5 -57.2 142.9 24.7 63.1 -3.3 52 81 A N > - 0 0 33 -47,-0.0 4,-2.6 1,-0.0 5,-0.3 -0.932 53.8 -76.1-152.0 176.0 21.4 64.1 -4.9 53 82 A S H > S+ 0 0 105 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.807 123.4 56.4 -41.5 -45.2 18.5 66.6 -5.0 54 83 A V H 4 S+ 0 0 34 2,-0.2 3,-0.4 -47,-0.2 -1,-0.2 0.944 112.1 37.6 -60.9 -56.0 17.1 65.1 -1.8 55 84 A L H >4 S+ 0 0 1 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.856 113.5 57.6 -67.1 -35.0 20.2 65.5 0.5 56 85 A K H >< S+ 0 0 146 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.791 100.9 57.7 -62.8 -28.1 21.0 68.8 -1.2 57 86 A G G >< S+ 0 0 32 -4,-1.2 3,-1.2 -3,-0.4 4,-0.4 0.538 81.5 91.8 -78.5 -4.6 17.5 70.0 -0.1 58 87 A M G X S+ 0 0 0 -3,-1.5 3,-0.7 1,-0.3 4,-0.2 0.785 77.9 59.3 -60.4 -33.2 18.5 69.2 3.6 59 88 A A G X S+ 0 0 35 -3,-0.7 3,-0.6 -4,-0.3 -1,-0.3 0.750 102.1 52.7 -67.1 -27.5 19.8 72.8 4.2 60 89 A A G < S+ 0 0 95 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.495 97.0 67.1 -93.6 -4.0 16.3 74.3 3.3 61 90 A Q G < S+ 0 0 75 -3,-0.7 2,-0.7 -4,-0.4 -1,-0.2 0.519 76.1 102.1 -84.3 -11.8 14.6 72.1 5.8 62 91 A I < - 0 0 24 -3,-0.6 2,-0.2 -4,-0.2 10,-0.1 -0.670 68.2-144.9 -81.8 115.2 16.3 73.8 8.7 63 92 A R > - 0 0 143 -2,-0.7 3,-1.9 1,-0.1 -2,-0.1 -0.478 19.3-120.6 -81.4 148.6 13.9 76.2 10.3 64 93 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.500 113.4 49.7 -62.1 -1.1 15.0 79.6 11.7 65 94 A D T 3 + 0 0 89 -51,-0.0 -1,-0.3 0, 0.0 5,-0.1 0.113 68.6 135.5-129.8 18.5 13.6 78.4 15.0 66 95 A D < - 0 0 0 -3,-1.9 -47,-0.1 3,-0.3 -50,-0.1 -0.563 48.6-148.0 -60.7 120.7 15.1 74.9 15.4 67 96 A P S S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 0.772 92.8 28.1 -67.8 -17.8 16.3 75.0 19.1 68 97 A F S S+ 0 0 0 1,-0.2 21,-2.4 -53,-0.1 2,-0.6 0.848 109.3 64.2-106.5 -44.8 19.2 72.7 18.2 69 98 A I E +F 88 0B 0 19,-0.2 -3,-0.3 1,-0.2 19,-0.2 -0.752 41.1 176.6-101.3 114.5 20.3 73.2 14.6 70 99 A K E S- 0 0 118 17,-2.7 2,-0.3 -2,-0.6 18,-0.2 0.861 75.7 -27.2 -74.5 -40.9 21.6 76.6 13.5 71 100 A S E -F 87 0B 29 16,-1.4 16,-2.2 2,-0.0 2,-0.4 -0.970 53.0-135.8-168.0 164.6 22.3 75.2 10.0 72 101 A A E -F 86 0B 1 -2,-0.3 2,-0.3 -13,-0.2 14,-0.2 -0.976 15.6-175.5-134.7 122.7 23.0 72.0 7.9 73 102 A R E -F 85 0B 147 12,-2.3 12,-2.9 -2,-0.4 2,-0.4 -0.863 6.9-166.6-115.4 146.3 25.5 71.6 5.1 74 103 A V E +F 84 0B 36 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.995 12.5 160.4-134.2 137.3 25.9 68.5 2.9 75 104 A G E -F 83 0B 26 8,-1.9 8,-3.3 -2,-0.4 2,-0.4 -0.991 46.6-104.0-146.6 156.4 28.7 67.3 0.5 76 105 A Q E +F 82 0B 74 -2,-0.3 6,-0.3 6,-0.2 -26,-0.1 -0.684 40.7 176.7 -64.1 128.5 30.1 64.3 -1.3 77 106 A F E + 0 0 115 4,-3.6 5,-0.2 1,-0.4 -1,-0.2 0.588 65.3 10.2-110.1 -11.5 33.2 63.9 0.8 78 107 A D E > S-F 81 0B 66 3,-1.2 3,-1.3 -3,-0.1 -1,-0.4 -0.941 91.3 -95.9-165.0 148.5 34.6 60.7 -0.7 79 108 A P T 3 S+ 0 0 113 0, 0.0 3,-0.0 0, 0.0 -3,-0.0 0.728 129.4 31.3 -55.6 -13.0 33.4 59.0 -3.9 80 109 A Q T 3 S+ 0 0 107 1,-0.1 -31,-1.7 -30,-0.1 -32,-1.1 0.497 111.5 75.6-110.3 -10.9 31.3 56.7 -1.6 81 110 A T E < -EF 47 78B 9 -3,-1.3 -4,-3.6 -34,-0.2 -3,-1.2 -0.913 52.0-160.7-133.2 124.9 30.5 59.1 1.3 82 111 A V E -EF 46 76B 0 -36,-2.4 -36,-3.1 -2,-0.4 2,-0.5 -0.844 17.1-150.7-100.3 138.7 28.2 61.9 2.0 83 112 A R E -EF 45 75B 62 -8,-3.3 -8,-1.9 -2,-0.4 2,-0.5 -0.952 6.5-164.1-112.8 127.3 29.0 64.2 4.9 84 113 A M E -EF 44 74B 4 -40,-3.6 -40,-3.6 -2,-0.5 2,-0.5 -0.945 6.2-165.9-109.3 131.6 26.2 66.0 6.8 85 114 A V E -EF 43 73B 34 -12,-2.9 -12,-2.3 -2,-0.5 2,-0.7 -0.973 4.8-168.6-124.4 117.2 27.3 68.9 9.0 86 115 A F E -EF 42 72B 0 -44,-3.5 -44,-2.2 -2,-0.5 2,-0.3 -0.898 10.9-152.4-110.2 105.0 24.9 70.4 11.6 87 116 A E E -EF 41 71B 63 -16,-2.2 -17,-2.7 -2,-0.7 -16,-1.4 -0.645 27.4-137.4 -71.0 133.3 26.0 73.6 13.2 88 117 A L E - 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