==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-07 2VGK . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP.; . AUTHOR E.SAUVAGE,F.KERFF,R.HERMAN,P.CHARLIER . 1865 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1264 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 289 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 128 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 211 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 425 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.5 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 4 2 1 1 0 0 1 10 4 5 7 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 8 8 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 . 19 6 10 8 0 8 2 7 1 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 . 4 13 3 4 2 2 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 R > 0 0 161 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.0 -14.7 -34.9 43.2 2 2 A L H > + 0 0 40 2,-0.2 4,-1.0 1,-0.1 0, 0.0 0.690 360.0 60.7 -85.5 -24.9 -12.5 -33.5 40.4 3 3 A T H > S+ 0 0 98 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.812 104.0 49.0 -71.0 -31.9 -15.4 -33.7 38.0 4 4 A E H > S+ 0 0 111 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.820 103.6 59.4 -78.0 -34.7 -17.6 -31.4 40.1 5 5 A L H X S+ 0 0 1 -4,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.837 105.7 50.2 -58.9 -37.4 -14.8 -28.7 40.5 6 6 A R H X S+ 0 0 98 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.839 105.4 55.5 -72.2 -35.8 -14.8 -28.4 36.7 7 7 A E H X S+ 0 0 122 -4,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.765 109.2 48.1 -67.9 -27.0 -18.6 -27.9 36.4 8 8 A D H X S+ 0 0 53 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.802 111.5 46.7 -85.4 -34.2 -18.4 -25.0 38.9 9 9 A I H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.809 112.3 52.9 -75.4 -31.7 -15.6 -23.1 37.2 10 10 A D H < S+ 0 0 62 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.889 112.1 45.1 -63.2 -42.6 -17.4 -23.7 33.8 11 11 A A H >< S+ 0 0 65 -4,-1.2 3,-0.9 1,-0.2 4,-0.3 0.825 110.6 52.9 -72.6 -34.6 -20.5 -22.2 35.4 12 12 A I H >< S+ 0 0 34 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.844 104.8 57.2 -65.5 -35.8 -18.6 -19.2 36.9 13 13 A L T 3< S+ 0 0 20 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.411 91.7 72.1 -79.1 1.0 -17.1 -18.5 33.5 14 14 A E T < + 0 0 160 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 0.690 69.0 131.3 -84.8 -22.4 -20.6 -18.1 32.0 15 15 A D X - 0 0 74 -3,-1.0 3,-1.6 -4,-0.3 -3,-0.0 0.164 66.7-125.2 -34.2 139.3 -21.3 -14.7 33.8 16 16 A P G > S+ 0 0 111 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.637 105.7 75.5 -64.5 -14.4 -22.6 -11.8 31.6 17 17 A A G 3 S+ 0 0 42 1,-0.3 425,-0.2 423,-0.1 424,-0.2 0.649 89.8 59.2 -69.4 -16.1 -19.6 -9.7 32.9 18 18 A L G X S+ 0 0 20 -3,-1.6 3,-1.2 422,-0.1 2,-0.6 -0.162 73.4 150.3-104.5 36.0 -17.5 -11.7 30.4 19 19 A E T < S- 0 0 153 -3,-0.9 422,-0.4 1,-0.3 3,-0.1 -0.603 78.2 -5.1 -75.6 113.0 -19.5 -10.7 27.3 20 20 A G T 3 S+ 0 0 69 -2,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.591 106.0 132.1 78.9 13.0 -17.1 -10.7 24.3 21 21 A A < - 0 0 25 -3,-1.2 2,-0.4 2,-0.0 -1,-0.3 -0.726 52.5-141.4 -99.9 144.3 -14.1 -11.4 26.5 22 22 A V E -A 438 0A 60 416,-3.1 416,-2.7 -2,-0.3 2,-0.4 -0.893 24.9-169.4 -97.6 133.8 -11.3 -14.0 26.0 23 23 A S E -A 437 0A 11 -2,-0.4 2,-0.6 414,-0.2 414,-0.2 -0.978 16.3-156.8-133.7 120.9 -10.3 -15.6 29.3 24 24 A G E +A 436 0A 0 412,-2.3 412,-2.3 -2,-0.4 2,-0.4 -0.868 19.9 175.0 -94.5 119.8 -7.3 -17.9 30.1 25 25 A V E +AB 435 39A 1 14,-2.4 14,-2.4 -2,-0.6 2,-0.4 -0.979 2.6 167.2-130.9 116.9 -7.9 -20.0 33.2 26 26 A V E -AB 434 38A 0 408,-1.8 408,-1.8 -2,-0.4 2,-0.4 -0.997 9.9-175.0-134.5 131.1 -5.4 -22.6 34.3 27 27 A V E +AB 433 37A 1 10,-2.6 10,-1.6 -2,-0.4 9,-1.1 -0.995 9.2 174.3-130.6 135.8 -5.2 -24.5 37.6 28 28 A V E -AB 432 35A 27 404,-2.5 404,-2.7 -2,-0.4 2,-0.5 -0.988 31.2-122.8-142.1 143.3 -2.5 -27.0 38.6 29 29 A D E > -A 431 0A 17 5,-2.7 4,-1.3 -2,-0.3 402,-0.2 -0.794 18.0-153.3 -87.3 130.3 -1.4 -29.0 41.7 30 30 A T T 4 S+ 0 0 67 400,-2.7 401,-0.1 -2,-0.5 -1,-0.1 0.718 88.1 51.2 -77.1 -25.0 2.1 -28.2 42.7 31 31 A A T 4 S+ 0 0 88 399,-0.3 -1,-0.2 3,-0.1 400,-0.1 0.809 127.4 17.8 -83.9 -32.8 3.0 -31.6 44.4 32 32 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.0 0.817 94.4-122.1-104.2 -49.0 2.0 -33.9 41.6 33 33 A G < + 0 0 55 -4,-1.3 2,-0.3 1,-0.3 -3,-0.1 0.421 52.9 159.4 109.6 7.4 1.8 -31.7 38.5 34 34 A E - 0 0 90 -5,-0.1 -5,-2.7 1,-0.1 2,-1.0 -0.483 39.9-137.8 -68.5 122.2 -1.8 -32.6 37.8 35 35 A E E -B 28 0A 93 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.739 23.1-179.2 -79.8 101.6 -3.6 -30.0 35.6 36 36 A L E + 0 0 1 -9,-1.1 2,-0.3 -2,-1.0 -8,-0.2 0.705 67.4 4.8 -78.7 -21.8 -7.0 -29.7 37.4 37 37 A Y E +B 27 0A 10 -10,-1.6 -10,-2.6 -3,-0.1 2,-0.3 -0.957 59.3 179.7-162.7 144.5 -8.4 -27.2 34.9 38 38 A S E +B 26 0A 52 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.886 6.8 165.9-153.9 117.6 -7.4 -25.6 31.5 39 39 A R E S-B 25 0A 100 -14,-2.4 -14,-2.4 -2,-0.3 318,-0.1 -0.961 80.8 -22.2-134.6 117.0 -9.3 -23.1 29.4 40 40 A D S > S+ 0 0 84 -2,-0.4 3,-1.3 -16,-0.2 317,-0.4 0.847 82.0 161.3 53.3 41.8 -7.5 -21.2 26.6 41 41 A G T 3 + 0 0 6 1,-0.3 317,-2.2 -16,-0.2 318,-0.3 0.672 68.1 43.0 -67.0 -23.2 -4.2 -21.9 28.4 42 42 A G T 3 S+ 0 0 62 315,-0.2 2,-0.3 314,-0.1 -1,-0.3 0.226 86.6 117.0-109.3 10.3 -1.9 -21.2 25.4 43 43 A E < - 0 0 97 -3,-1.3 2,-0.5 1,-0.1 314,-0.5 -0.604 67.4-120.8 -80.9 138.5 -3.7 -18.1 24.1 44 44 A Q + 0 0 99 -2,-0.3 2,-0.3 312,-0.1 312,-0.2 -0.722 43.2 160.6 -87.4 123.0 -1.7 -14.8 24.2 45 45 A L B -F 355 0B 8 310,-2.7 310,-2.8 -2,-0.5 372,-0.0 -0.858 43.7 -95.4-135.3 163.5 -3.2 -12.0 26.2 46 46 A L - 0 0 31 -2,-0.3 372,-0.2 308,-0.2 308,-0.1 -0.669 30.3-165.0 -80.9 140.4 -2.3 -8.7 27.9 47 47 A P > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.534 5.0-163.9-101.8 -10.1 -1.4 -9.1 31.6 48 48 A A G > S- 0 0 1 1,-0.2 3,-1.7 300,-0.2 364,-0.1 -0.299 79.7 -8.0 43.3-135.8 -1.4 -5.6 33.2 49 49 A S G > S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.521 117.3 85.8 -65.9 -6.2 0.4 -5.8 36.6 50 50 A N G X> S+ 0 0 0 -3,-2.0 3,-1.0 1,-0.3 4,-0.6 0.663 76.4 74.7 -64.2 -12.7 0.7 -9.6 36.5 51 51 A M H <> S+ 0 0 0 -3,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.591 79.2 72.3 -70.6 -14.3 3.8 -8.8 34.4 52 52 A K H <> S+ 0 0 0 -3,-2.0 4,-2.7 295,-0.3 -1,-0.2 0.754 85.2 65.4 -72.9 -26.5 5.4 -7.8 37.8 53 53 A L H <> S+ 0 0 0 -3,-1.0 4,-1.7 -4,-0.3 5,-0.2 0.959 104.7 43.8 -55.1 -53.2 5.6 -11.5 38.7 54 54 A F H X S+ 0 0 0 -4,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.904 115.4 48.4 -59.2 -49.3 8.1 -12.1 35.9 55 55 A T H X S+ 0 0 1 -4,-1.5 4,-2.2 291,-0.3 -1,-0.2 0.924 110.0 51.3 -54.1 -53.7 10.1 -9.0 36.7 56 56 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.762 109.4 49.3 -63.3 -33.2 10.3 -9.8 40.5 57 57 A A H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.890 112.5 48.5 -70.8 -41.8 11.6 -13.3 39.9 58 58 A A H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 5,-0.4 0.828 107.2 55.5 -66.1 -34.7 14.2 -12.0 37.5 59 59 A A H X>S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 5,-0.5 0.816 110.6 46.2 -67.8 -27.6 15.3 -9.3 40.0 60 60 A L H <5S+ 0 0 4 -4,-0.8 4,-0.3 3,-0.2 5,-0.2 0.817 114.0 46.7 -84.2 -34.2 15.9 -12.0 42.6 61 61 A E H <5S+ 0 0 81 -4,-1.9 -2,-0.2 3,-0.1 -3,-0.2 0.863 123.6 32.9 -69.4 -39.4 17.8 -14.3 40.3 62 62 A V H <5S+ 0 0 34 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.934 133.5 24.4 -86.9 -51.0 20.1 -11.5 38.9 63 63 A L T <5S- 0 0 11 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.716 101.6-134.9 -90.3 -24.5 20.5 -9.1 41.8 64 64 A G > < - 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0 0 5 -4,-1.0 2,-0.8 1,-0.2 -3,-0.2 1.000 28.7-159.0 65.9 76.0 64.6 26.6 38.9 766 299 B N >< - 0 0 10 -5,-1.4 4,-1.5 1,-0.2 -1,-0.2 -0.768 8.4-166.4 -91.9 109.4 64.4 23.9 41.6 767 300 B N H > S+ 0 0 5 -2,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.897 86.9 47.9 -63.8 -45.2 62.0 21.1 40.5 768 301 B G H > S+ 0 0 8 -155,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.844 105.6 59.3 -64.0 -38.2 61.6 19.5 44.0 769 302 B H H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 106.8 49.2 -50.8 -49.2 60.9 22.8 45.6 770 303 B A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.858 110.6 46.6 -63.8 -44.2 57.9 23.2 43.3 771 304 B E H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.878 111.7 52.9 -67.4 -37.5 56.4 19.8 43.9 772 305 B M H X S+ 0 0 3 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.919 108.8 49.6 -62.1 -45.6 56.8 20.3 47.6 773 306 B L H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.849 107.5 55.2 -60.6 -37.4 55.0 23.6 47.5 774 307 B V H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.933 111.0 43.4 -61.9 -47.5 52.1 22.0 45.4 775 308 B K H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.734 110.3 57.5 -70.5 -22.9 51.5 19.3 48.1 776 309 B S H >X S+ 0 0 9 -4,-1.5 4,-1.6 2,-0.2 3,-0.6 0.902 104.7 51.1 -69.6 -42.8 51.9 22.1 50.8 777 310 B I H 3X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.864 104.7 58.4 -58.6 -38.5 49.0 23.9 49.1 778 311 B G H 3X S+ 0 0 0 -4,-1.4 6,-1.9 1,-0.2 4,-0.6 0.780 104.8 50.5 -63.0 -29.2 47.0 20.7 49.3 779 312 B Q H S- 0 0 35 -2,-1.8 4,-1.8 -190,-0.2 -8,-0.2 -0.810 76.7-118.9-127.9 162.8 48.8 14.9 47.5 787 320 B W H > S+ 0 0 9 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.914 112.9 57.5 -65.3 -43.8 49.2 16.1 43.9 788 321 B D H > S+ 0 0 70 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.854 113.1 37.8 -56.6 -43.0 45.4 15.7 43.3 789 322 B A H > S+ 0 0 6 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.898 117.7 50.9 -75.5 -41.7 44.5 18.0 46.1 790 323 B G H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.876 107.6 50.9 -63.2 -42.5 47.4 20.5 45.5 791 324 B L H X S+ 0 0 25 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.792 108.6 52.4 -68.6 -31.7 46.7 21.0 41.8 792 325 B V H X S+ 0 0 12 -4,-0.8 4,-2.4 -5,-0.3 -1,-0.2 0.886 110.5 49.4 -63.6 -44.4 43.0 21.7 42.4 793 326 B G H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.802 107.4 52.9 -68.8 -34.1 44.1 24.4 44.9 794 327 B V H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.930 112.6 45.5 -63.4 -46.5 46.6 26.0 42.6 795 328 B E H X S+ 0 0 63 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.895 114.2 47.3 -66.6 -42.8 43.9 26.4 39.9 796 329 B E H X S+ 0 0 60 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.868 112.8 50.5 -65.1 -36.9 41.3 27.7 42.4 797 330 B A H X S+ 0 0 15 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.854 106.5 54.1 -70.4 -36.5 43.8 30.2 43.8 798 331 B L H X>S+ 0 0 1 -4,-2.0 5,-2.0 1,-0.2 4,-0.5 0.883 108.5 48.5 -64.8 -40.4 44.8 31.5 40.3 799 332 B S H <5S+ 0 0 59 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.748 106.5 57.5 -72.3 -26.5 41.2 32.3 39.5 800 333 B G H <5S+ 0 0 63 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 103.9 53.1 -64.4 -43.6 40.8 34.1 42.9 801 334 B L H <5S- 0 0 23 -4,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.626 129.8 -96.8 -66.5 -18.6 43.7 36.4 41.9 802 335 B G T <5S+ 0 0 42 -4,-0.5 2,-0.4 1,-0.3 -3,-0.2 0.402 75.5 139.2 120.1 1.6 41.8 37.2 38.6 803 336 B V < - 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