==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-APR-00 1ES4 . COMPND 2 MOLECULE: DD-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR E.FONZE,P.CHARLIER . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 0 2 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 0 1 0 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 . 1 1 1 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 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 3 A K 0 0 146 0, 0.0 250,-0.1 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 118.8 8.6 -9.4 27.7 2 4 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 245,-0.0 -0.204 360.0-124.3 -65.5 154.8 7.9 -6.7 30.2 3 5 A T - 0 0 115 2,-0.0 2,-0.3 247,-0.0 247,-0.1 -0.879 32.0-171.3-100.7 131.3 7.8 -3.0 29.3 4 6 A I - 0 0 7 -2,-0.5 240,-0.1 2,-0.2 239,-0.0 -0.874 31.7-132.3-123.6 156.0 10.1 -0.8 31.4 5 7 A A S S+ 0 0 42 -2,-0.3 -1,-0.1 238,-0.3 239,-0.1 0.837 80.4 97.6 -74.3 -32.9 10.6 2.9 31.7 6 8 A A - 0 0 0 237,-0.2 232,-0.2 1,-0.1 -2,-0.2 -0.245 68.7-145.9 -58.1 142.1 14.4 2.6 31.4 7 9 A V S S+ 0 0 63 229,-0.9 2,-0.4 230,-0.9 230,-0.2 0.654 88.1 41.9 -83.0 -16.4 15.7 3.3 27.9 8 10 A G E S+A 236 0A 0 228,-1.8 228,-3.0 17,-0.1 2,-0.3 -0.996 70.5 158.8-132.6 137.0 18.4 0.7 28.5 9 11 A G E +AB 235 23A 0 14,-2.7 14,-1.6 -2,-0.4 2,-0.3 -0.992 7.8 166.8-158.3 149.9 18.1 -2.7 30.1 10 12 A Y E +AB 234 22A 5 224,-2.0 224,-2.0 -2,-0.3 2,-0.3 -0.982 3.2 177.2-161.1 151.3 19.8 -6.1 30.4 11 13 A A E +AB 233 21A 0 10,-1.7 9,-3.1 -2,-0.3 10,-1.8 -0.967 4.4 176.0-158.4 143.9 19.7 -9.2 32.5 12 14 A M E -AB 232 19A 11 220,-2.8 220,-2.3 -2,-0.3 2,-0.7 -0.930 44.2 -93.1-144.2 165.2 21.4 -12.6 32.4 13 15 A N E > -A 231 0A 26 5,-2.3 4,-3.0 -2,-0.3 5,-0.2 -0.753 38.8-147.8 -79.3 118.2 21.7 -15.7 34.4 14 16 A N T 4 S+ 0 0 43 216,-3.0 -1,-0.2 -2,-0.7 217,-0.1 0.857 91.7 47.2 -60.4 -36.1 24.7 -14.9 36.5 15 17 A G T 4 S+ 0 0 69 215,-0.5 -1,-0.2 1,-0.1 216,-0.1 0.841 126.0 24.9 -76.3 -33.2 25.9 -18.5 36.7 16 18 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.675 93.1-129.5-104.5 -23.3 25.6 -19.4 33.1 17 19 A G < + 0 0 40 -4,-3.0 2,-0.3 1,-0.3 -3,-0.1 0.484 53.1 151.7 85.8 3.1 25.9 -16.0 31.3 18 20 A T - 0 0 86 -5,-0.2 -5,-2.3 1,-0.1 -1,-0.3 -0.551 48.6-117.7 -74.3 127.1 22.7 -16.7 29.3 19 21 A T E +B 12 0A 59 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.391 35.2 172.1 -65.1 134.2 20.9 -13.5 28.3 20 22 A L E + 0 0 25 -9,-3.1 2,-0.3 1,-0.4 -8,-0.2 0.633 64.9 15.5-114.3 -28.1 17.3 -13.2 29.7 21 23 A Y E +B 11 0A 6 -10,-1.8 -10,-1.7 -20,-0.0 -1,-0.4 -0.994 58.2 179.4-153.0 141.7 16.4 -9.7 28.8 22 24 A T E +B 10 0A 53 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.2 -0.996 13.3 162.4-144.4 148.3 17.5 -7.0 26.5 23 25 A K E S-B 9 0A 64 -14,-1.6 -14,-2.7 -2,-0.3 4,-0.1 -0.698 92.2 -27.4-161.5 102.7 16.5 -3.4 25.6 24 26 A A S > S+ 0 0 41 -16,-0.2 3,-1.6 -2,-0.2 -14,-0.1 0.914 85.1 170.4 49.2 43.8 19.1 -1.4 23.8 25 27 A A T 3 S+ 0 0 5 1,-0.3 126,-2.3 125,-0.1 127,-0.4 0.710 70.9 36.8 -59.3 -25.0 21.5 -3.6 25.7 26 28 A D T 3 S+ 0 0 74 124,-0.1 2,-0.6 123,-0.1 -1,-0.3 0.091 86.0 116.6-117.7 22.3 24.6 -2.4 23.8 27 29 A T < - 0 0 64 -3,-1.6 121,-0.1 -4,-0.1 2,-0.1 -0.824 67.5-120.8 -95.2 122.3 23.7 1.3 23.4 28 30 A R + 0 0 122 -2,-0.6 2,-0.3 121,-0.1 121,-0.2 -0.373 41.2 162.6 -64.5 134.2 26.2 3.6 25.2 29 31 A R E -E 148 0B 76 119,-2.8 119,-2.3 -2,-0.1 187,-0.1 -0.942 45.7 -84.7-145.4 163.2 24.8 5.9 27.9 30 32 A S E -E 147 0B 48 -2,-0.3 117,-0.2 185,-0.2 207,-0.2 -0.435 34.4-160.1 -68.8 145.6 26.1 7.9 30.8 31 33 A T > - 0 0 1 115,-1.2 3,-1.6 1,-0.2 -1,-0.1 0.695 13.0-175.7-104.8 -22.3 26.5 5.8 33.9 32 34 A G G > - 0 0 6 114,-0.4 3,-1.6 1,-0.2 181,-0.2 -0.293 69.9 -8.9 60.7-141.8 26.7 8.3 36.8 33 35 A S G > S+ 0 0 15 179,-1.5 3,-2.0 1,-0.3 -1,-0.2 0.545 115.1 84.0 -69.1 -7.7 27.3 6.7 40.2 34 36 A T G X S+ 0 0 0 -3,-1.6 3,-1.9 1,-0.3 4,-0.4 0.702 75.5 80.2 -65.9 -12.4 26.9 3.1 39.0 35 37 A T G X> S+ 0 0 1 -3,-1.6 4,-1.3 1,-0.3 3,-1.2 0.774 72.4 76.3 -59.8 -27.7 30.5 3.8 38.1 36 38 A K H <> S+ 0 0 2 -3,-2.0 4,-2.2 105,-0.4 -1,-0.3 0.683 79.6 70.4 -60.1 -19.0 31.3 3.1 41.8 37 39 A I H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.924 101.2 44.4 -64.6 -41.6 30.8 -0.6 41.1 38 40 A M H <> S+ 0 0 2 -3,-1.2 4,-3.1 -4,-0.4 5,-0.2 0.871 108.3 58.0 -70.0 -36.8 34.1 -0.5 39.2 39 41 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.951 110.4 43.3 -56.9 -49.7 35.8 1.5 41.8 40 42 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.940 113.6 51.6 -61.1 -49.2 35.0 -1.2 44.4 41 43 A K H X S+ 0 0 34 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.919 110.4 48.0 -54.6 -49.0 36.0 -4.0 42.0 42 44 A V H >< S+ 0 0 6 -4,-3.1 3,-1.1 2,-0.2 4,-0.4 0.957 113.1 48.4 -58.6 -51.1 39.4 -2.4 41.2 43 45 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.935 110.2 50.7 -53.8 -51.4 40.1 -1.8 44.9 44 46 A L H 3< S+ 0 0 18 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.668 107.3 56.7 -63.4 -15.7 39.2 -5.4 45.9 45 47 A A T << S+ 0 0 72 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.447 79.7 120.6 -95.5 -1.8 41.5 -6.6 43.1 46 48 A Q X - 0 0 35 -3,-1.9 3,-1.1 -4,-0.4 -3,-0.0 -0.392 58.6-146.7 -67.9 137.9 44.6 -4.8 44.5 47 49 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.832 102.7 51.6 -70.2 -33.2 47.6 -7.0 45.4 48 50 A N T 3 S+ 0 0 92 58,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.102 84.6 143.1 -90.4 20.3 48.4 -4.6 48.2 49 51 A L < + 0 0 52 -3,-1.1 2,-0.3 -5,-0.1 -5,-0.1 -0.395 21.0 169.6 -69.7 136.8 44.9 -4.8 49.6 50 52 A N > - 0 0 83 -2,-0.1 3,-1.6 3,-0.1 33,-0.4 -0.864 19.9-162.1-147.6 105.6 44.3 -4.8 53.3 51 53 A L T 3 S+ 0 0 27 -2,-0.3 33,-2.3 1,-0.3 34,-0.3 0.733 94.0 51.2 -62.0 -24.5 40.7 -4.3 54.5 52 54 A D T 3 S+ 0 0 99 31,-0.2 -1,-0.3 30,-0.2 2,-0.2 0.413 80.3 118.9 -94.5 0.8 41.9 -3.3 57.9 53 55 A A < - 0 0 16 -3,-1.6 30,-1.9 1,-0.1 2,-0.4 -0.470 61.5-134.5 -66.0 135.2 44.3 -0.7 56.6 54 56 A K E -G 82 0C 116 28,-0.2 2,-0.4 -2,-0.2 28,-0.3 -0.771 16.0-160.7 -99.4 141.3 43.3 2.7 58.0 55 57 A V E -G 81 0C 13 26,-2.6 26,-3.0 -2,-0.4 2,-0.6 -0.941 18.3-128.0-119.2 137.6 43.1 5.8 55.9 56 58 A T E -G 80 0C 58 -2,-0.4 2,-0.5 24,-0.2 24,-0.2 -0.764 27.9-122.0 -86.9 124.9 43.1 9.4 57.2 57 59 A I - 0 0 3 22,-2.7 21,-2.5 -2,-0.6 2,-0.2 -0.545 31.9-148.5 -69.4 116.2 40.2 11.4 55.9 58 60 A Q >> - 0 0 75 -2,-0.5 4,-1.2 19,-0.2 3,-1.1 -0.517 22.1-118.7 -86.3 153.7 41.7 14.4 54.1 59 61 A K H 3> S+ 0 0 114 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.833 112.4 67.3 -57.3 -32.3 40.2 17.8 53.8 60 62 A A H 3> S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.837 96.3 51.7 -58.2 -38.5 40.3 17.2 50.1 61 63 A Y H <> S+ 0 0 6 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.931 113.6 45.2 -65.4 -44.0 37.7 14.4 50.2 62 64 A S H X S+ 0 0 30 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.930 112.7 48.2 -63.9 -49.6 35.4 16.7 52.2 63 65 A D H X S+ 0 0 79 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.826 105.7 63.3 -62.0 -30.1 35.8 19.7 50.0 64 66 A Y H X S+ 0 0 46 -4,-1.7 4,-0.9 -5,-0.3 6,-0.3 0.935 104.1 43.1 -59.8 -51.6 35.2 17.5 47.0 65 67 A V H X>S+ 0 0 2 -4,-1.5 5,-1.7 1,-0.2 4,-1.2 0.886 116.3 48.4 -65.5 -37.8 31.7 16.6 48.0 66 68 A V H <5S+ 0 0 102 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.904 107.8 54.9 -67.7 -41.3 30.8 20.2 48.9 67 69 A A H <5S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.697 122.9 29.3 -64.9 -19.4 32.3 21.5 45.7 68 70 A N H <5S- 0 0 75 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.437 98.3-131.5-117.9 -4.9 30.0 19.1 43.8 69 71 A N T <5 + 0 0 154 -4,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.806 58.5 159.8 55.6 27.5 27.2 19.0 46.3 70 72 A A < - 0 0 24 -5,-1.7 -1,-0.1 -6,-0.3 -2,-0.1 -0.118 47.4 -76.6 -78.1 173.4 27.5 15.3 45.8 71 73 A S - 0 0 63 23,-0.2 25,-2.1 -3,-0.1 2,-0.3 -0.334 56.3-175.3 -65.7 150.4 26.5 12.2 47.8 72 74 A Q - 0 0 62 23,-0.3 23,-0.1 21,-0.2 -10,-0.0 -0.974 42.7-137.9-150.7 162.9 28.7 11.5 50.8 73 75 A A - 0 0 0 -2,-0.3 17,-0.1 21,-0.1 22,-0.1 0.312 55.3-117.5 -98.9 2.7 29.4 9.1 53.6 74 76 A H - 0 0 107 1,-0.2 2,-0.3 115,-0.1 116,-0.1 0.856 44.8-176.3 62.2 37.8 29.9 12.1 55.9 75 77 A L - 0 0 7 1,-0.1 2,-0.5 -14,-0.1 -1,-0.2 -0.493 20.7-133.2 -68.4 128.1 33.5 11.2 56.6 76 78 A I > - 0 0 65 -2,-0.3 3,-2.1 1,-0.1 -19,-0.3 -0.735 21.8-115.5 -87.1 124.5 35.0 13.6 59.1 77 79 A V T 3 S+ 0 0 59 -2,-0.5 -19,-0.2 1,-0.3 105,-0.2 -0.312 102.1 31.7 -60.9 137.8 38.4 14.9 58.2 78 80 A G T 3 S+ 0 0 6 -21,-2.5 -1,-0.3 1,-0.4 -20,-0.1 0.047 92.2 121.5 102.2 -24.3 41.1 13.7 60.6 79 81 A D < - 0 0 2 -3,-2.1 -22,-2.7 -22,-0.1 2,-0.6 -0.359 63.2-129.7 -71.8 152.8 39.3 10.5 61.3 80 82 A K E -GH 56 180C 57 100,-3.3 100,-2.1 -24,-0.2 2,-0.4 -0.931 31.8-178.5-104.3 116.8 41.0 7.1 60.6 81 83 A V E -G 55 0C 1 -26,-3.0 -26,-2.6 -2,-0.6 98,-0.1 -0.976 22.5-124.9-122.0 129.6 38.7 5.0 58.5 82 84 A T E > -G 54 0C 15 -2,-0.4 4,-2.1 -28,-0.3 -28,-0.2 -0.232 22.5-116.4 -68.5 159.4 39.5 1.4 57.4 83 85 A V H > S+ 0 0 0 -30,-1.9 4,-1.7 -33,-0.4 -31,-0.2 0.873 117.7 55.7 -62.1 -36.2 39.4 0.4 53.7 84 86 A R H > S+ 0 0 78 -33,-2.3 4,-1.5 2,-0.2 3,-0.4 0.956 108.0 46.2 -61.3 -50.0 36.5 -2.0 54.6 85 87 A Q H > S+ 0 0 18 -34,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.860 109.4 56.7 -61.1 -33.8 34.5 0.9 56.2 86 88 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.846 102.5 54.6 -66.6 -33.5 35.3 2.9 53.1 87 89 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 -3,-0.4 -1,-0.2 0.865 110.0 46.7 -69.0 -33.8 33.8 0.2 50.9 88 90 A Y H X S+ 0 0 24 -4,-1.5 4,-2.6 2,-0.2 6,-0.3 0.881 111.7 50.9 -72.8 -38.9 30.6 0.4 52.9 89 91 A G H < S+ 0 0 0 -4,-2.3 6,-2.7 1,-0.2 -2,-0.2 0.831 113.3 47.0 -66.6 -31.1 30.6 4.2 52.7 90 92 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.2 0.927 120.8 33.9 -74.8 -46.6 31.1 3.9 48.9 91 93 A M H < S+ 0 0 3 -4,-2.2 104,-0.3 3,-0.2 119,-0.3 0.813 118.7 42.9 -84.9 -32.9 28.4 1.3 48.2 92 94 A L S < S+ 0 0 0 -4,-2.6 103,-1.7 -5,-0.2 -3,-0.2 0.983 131.3 16.3 -80.8 -67.6 25.6 2.0 50.7 93 95 A P S S- 0 0 22 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 0.478 103.7-119.1 -84.0 0.8 25.1 5.8 50.8 94 96 A S - 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