==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-AUG-09 3ITA . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,W.ZHANG,Q.SHI,D.HESEK,M.LEE,S.MOBASHERY,B.K.SHOICHET . 1358 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 894 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 324 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.8 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 . 65 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 2 1 1 0 0 4 0 0 4 1 9 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 17 4 5 14 0 7 1 9 3 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 . 13 0 0 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 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 5 A T 0 0 177 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 65.1 -13.1 5.8 22.4 2 6 A V - 0 0 50 1,-0.1 2,-0.2 252,-0.1 252,-0.0 -0.657 360.0-102.1 -72.0 132.5 -13.1 2.0 22.4 3 7 A E - 0 0 169 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.407 38.4-122.3 -63.0 126.9 -10.1 0.7 24.4 4 8 A A - 0 0 52 -2,-0.2 -1,-0.1 1,-0.1 20,-0.1 -0.391 30.5-107.1 -66.0 144.7 -7.4 -0.5 21.9 5 9 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.259 28.1-107.6 -70.1 156.5 -6.3 -4.1 22.2 6 10 A S - 0 0 103 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.693 34.6-154.7 -75.6 138.2 -3.0 -5.2 23.6 7 11 A V - 0 0 12 -2,-0.3 2,-1.8 2,-0.1 5,-0.0 -0.983 13.6-143.6-125.1 126.3 -0.7 -6.5 20.8 8 12 A D + 0 0 105 -2,-0.5 227,-0.4 231,-0.1 2,-0.3 -0.526 69.9 84.3 -88.7 67.9 2.1 -9.0 21.5 9 13 A A S S- 0 0 22 -2,-1.8 225,-0.2 225,-0.1 224,-0.2 -0.970 85.4-105.2-156.6 168.6 4.5 -7.6 18.9 10 14 A R S S- 0 0 98 222,-1.0 2,-0.3 223,-0.5 223,-0.2 0.904 98.5 -4.7 -66.7 -45.8 7.2 -4.9 18.4 11 15 A A E +A 232 0A 0 221,-1.9 221,-3.0 17,-0.1 2,-0.3 -0.995 67.9 165.9-149.5 150.9 5.0 -2.6 16.2 12 16 A W E -AB 231 26A 37 14,-2.4 14,-2.4 -2,-0.3 2,-0.3 -0.994 13.1-167.0-158.7 163.3 1.6 -2.6 14.6 13 17 A I E -AB 230 25A 0 217,-2.1 217,-2.5 -2,-0.3 2,-0.4 -0.984 7.7-160.4-152.5 146.5 -1.1 -0.6 13.0 14 18 A L E +AB 229 24A 0 10,-2.4 9,-1.8 -2,-0.3 10,-1.2 -0.996 23.5 178.1-125.9 124.0 -4.8 -1.2 12.1 15 19 A M E -AB 228 22A 5 213,-2.7 213,-2.6 -2,-0.4 2,-0.4 -0.978 29.9-124.1-133.9 133.8 -6.1 1.2 9.4 16 20 A D E > -A 227 0A 1 5,-2.5 4,-1.8 -2,-0.4 211,-0.2 -0.676 18.4-145.5 -76.1 131.5 -9.4 1.6 7.6 17 21 A Y T 4 S+ 0 0 54 209,-2.6 -1,-0.1 -2,-0.4 210,-0.1 0.883 93.1 39.6 -65.0 -43.8 -9.0 1.4 3.8 18 22 A A T 4 S+ 0 0 46 208,-0.5 271,-0.4 1,-0.2 -1,-0.2 0.897 129.2 25.9 -80.7 -39.3 -11.7 3.9 2.9 19 23 A S T 4 S- 0 0 19 2,-0.1 -2,-0.2 269,-0.1 -1,-0.2 0.638 91.3-132.6 -95.9 -18.1 -11.2 6.6 5.5 20 24 A G < + 0 0 24 -4,-1.8 -3,-0.1 1,-0.2 2,-0.1 0.531 48.4 161.1 75.2 3.5 -7.6 6.0 6.4 21 25 A K - 0 0 75 -6,-0.1 -5,-2.5 1,-0.1 2,-0.9 -0.371 39.3-137.0 -62.4 133.4 -8.5 6.1 10.1 22 26 A V E +B 15 0A 34 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.814 24.7 179.0 -92.7 102.7 -5.9 4.5 12.3 23 27 A L E + 0 0 20 -9,-1.8 2,-0.3 -2,-0.9 -1,-0.2 0.738 66.5 3.0 -78.0 -28.1 -7.9 2.5 14.7 24 28 A A E +B 14 0A 5 -10,-1.2 -10,-2.4 -20,-0.1 2,-0.3 -0.971 68.8 170.6-158.2 147.4 -5.0 1.0 16.7 25 29 A E E -B 13 0A 95 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.989 15.5-173.9-162.7 153.3 -1.3 1.5 16.7 26 30 A G E S-B 12 0A 9 -14,-2.4 -14,-2.4 -2,-0.3 128,-0.1 -0.910 80.9 -22.6-152.7 122.4 1.9 0.7 18.5 27 31 A N S > S+ 0 0 100 -2,-0.3 3,-1.7 -16,-0.2 127,-0.4 0.835 80.0 162.1 47.1 39.7 5.4 2.0 17.6 28 32 A A T 3 + 0 0 2 1,-0.3 127,-2.5 -16,-0.1 128,-0.4 0.600 67.0 47.4 -76.1 -8.4 4.0 2.5 14.1 29 33 A D T 3 S+ 0 0 76 125,-0.2 2,-0.3 124,-0.1 -1,-0.3 0.365 79.2 121.0-110.8 4.9 6.7 4.9 13.0 30 34 A E < - 0 0 72 -3,-1.7 124,-0.3 1,-0.1 2,-0.3 -0.517 65.3-121.8 -70.9 129.4 9.7 2.9 14.2 31 35 A K + 0 0 108 -2,-0.3 2,-0.3 122,-0.1 122,-0.2 -0.550 40.5 161.8 -80.2 133.0 12.0 2.1 11.4 32 36 A L B -E 152 0B 21 120,-2.4 120,-2.2 -2,-0.3 3,-0.0 -0.964 49.4 -94.4-140.1 155.1 12.8 -1.6 10.6 33 37 A D - 0 0 26 -2,-0.3 118,-0.2 118,-0.2 4,-0.1 -0.628 32.0-150.7 -69.6 125.2 14.2 -3.3 7.5 34 38 A P > + 0 0 7 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.721 29.1 172.2 -72.8 -18.6 11.1 -4.4 5.6 35 39 A A G > S+ 0 0 2 1,-0.3 3,-2.2 2,-0.2 4,-0.2 -0.182 70.6 9.7 45.1-122.2 12.9 -7.4 4.2 36 40 A S G > S+ 0 0 35 172,-0.6 3,-1.8 1,-0.3 -1,-0.3 0.720 118.8 72.9 -62.0 -20.7 10.4 -9.7 2.4 37 41 A L G X> S+ 0 0 2 -3,-2.4 3,-2.0 1,-0.3 4,-0.6 0.732 77.9 80.3 -67.1 -19.6 7.6 -7.0 2.7 38 42 A T H X> S+ 0 0 0 -3,-2.2 4,-1.8 1,-0.3 3,-0.9 0.810 76.2 71.7 -47.6 -33.3 9.6 -5.1 0.0 39 43 A K H <> S+ 0 0 3 -3,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.684 82.8 69.7 -70.4 -13.3 8.0 -7.4 -2.5 40 44 A I H <> S+ 0 0 0 -3,-2.0 4,-2.2 -4,-0.2 -1,-0.3 0.945 105.4 40.8 -59.0 -45.5 4.7 -5.5 -1.9 41 45 A M H S+ 0 0 13 -4,-2.2 5,-2.4 2,-0.2 6,-1.1 0.913 113.7 44.9 -63.4 -39.7 3.7 -1.4 -15.7 50 54 A L H ><5S+ 0 0 35 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.940 112.4 50.8 -66.7 -44.3 0.8 -3.9 -16.6 51 55 A K H 3<5S+ 0 0 128 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.871 111.4 48.5 -65.5 -35.7 -1.9 -1.3 -16.0 52 56 A A T 3<5S- 0 0 57 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.441 111.3-123.0 -78.7 0.4 -0.0 1.2 -18.3 53 57 A D T < 5S+ 0 0 98 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.815 76.4 125.6 55.9 37.6 0.4 -1.6 -21.0 54 58 A K S - 0 0 95 -2,-0.3 3,-1.8 -3,-0.1 35,-0.4 -0.952 24.8-118.9-127.3 151.5 1.7 -7.7 -20.9 57 61 A L T 3 S+ 0 0 85 -2,-0.3 35,-2.4 1,-0.3 36,-0.3 0.727 114.9 52.1 -55.3 -29.4 0.9 -10.9 -19.0 58 62 A T T 3 S+ 0 0 111 33,-0.2 -1,-0.3 32,-0.1 2,-0.0 0.460 80.8 118.9 -92.1 -4.4 1.7 -13.0 -22.1 59 63 A D < - 0 0 37 -3,-1.8 32,-2.2 1,-0.1 2,-0.5 -0.377 63.0-131.3 -64.6 139.2 5.1 -11.4 -22.7 60 64 A M E -F 90 0C 98 30,-0.2 2,-0.4 31,-0.1 30,-0.2 -0.842 19.9-155.7 -98.8 128.9 8.0 -13.9 -22.6 61 65 A V E -F 89 0C 3 28,-2.7 28,-2.6 -2,-0.5 2,-0.6 -0.856 10.8-134.8-107.0 135.0 10.9 -12.8 -20.4 62 66 A T E -F 88 0C 91 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.817 23.8-131.0 -85.8 118.2 14.5 -14.1 -20.9 63 67 A V - 0 0 2 24,-2.3 23,-2.3 -2,-0.6 2,-0.1 -0.562 24.4-151.1 -68.6 130.2 16.0 -14.9 -17.5 64 68 A G > - 0 0 27 -2,-0.3 3,-1.7 21,-0.2 7,-0.1 -0.429 30.3-100.4 -98.4 174.0 19.5 -13.4 -17.1 65 69 A K G > S+ 0 0 122 1,-0.3 3,-1.0 2,-0.1 6,-0.2 0.734 119.6 68.1 -68.7 -19.3 22.5 -14.6 -15.0 66 70 A D G 3 S+ 0 0 44 1,-0.2 -1,-0.3 42,-0.1 42,-0.1 0.667 96.0 58.3 -69.7 -10.6 21.6 -12.1 -12.3 67 71 A A G < S+ 0 0 0 -3,-1.7 16,-0.4 41,-0.1 2,-0.3 0.070 95.3 90.0-103.7 27.1 18.5 -14.3 -11.8 68 72 A W S <> S- 0 0 78 -3,-1.0 4,-1.3 1,-0.1 7,-0.3 -0.857 80.2-115.8-131.4 146.6 20.3 -17.6 -11.0 69 73 A A T 4 S+ 0 0 59 14,-0.5 3,-0.5 -2,-0.3 6,-0.2 0.956 115.5 33.1 -26.4 -77.4 21.8 -19.8 -8.2 70 74 A T T 4 S+ 0 0 93 1,-0.2 -1,-0.1 5,-0.1 6,-0.1 0.941 117.6 48.6 -54.7 -59.6 25.3 -19.4 -9.7 71 75 A G T 4 S+ 0 0 38 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.1 0.499 113.8 44.6 -82.7 -5.8 25.5 -15.9 -11.2 72 76 A N >< - 0 0 26 -4,-1.3 3,-1.5 -3,-0.5 -1,-0.2 -0.832 61.0-172.7-133.4 98.9 24.0 -14.1 -8.2 73 77 A P G > S+ 0 0 85 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.697 82.0 71.4 -56.3 -22.4 25.5 -15.3 -4.8 74 78 A A G 3 S+ 0 0 58 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.716 88.1 60.0 -74.4 -20.6 22.9 -13.1 -3.0 75 79 A L G X S+ 0 0 6 -3,-1.5 3,-2.1 -7,-0.3 2,-0.3 0.481 75.1 139.3 -76.9 -2.0 20.1 -15.5 -4.0 76 80 A R T < S- 0 0 178 -3,-1.3 3,-0.1 1,-0.3 -7,-0.0 -0.227 82.2 -17.5 -59.5 106.2 21.9 -18.2 -2.0 77 81 A G T 3 S+ 0 0 88 -2,-0.3 -1,-0.3 1,-0.3 2,-0.3 0.875 103.3 126.7 62.3 39.7 19.3 -20.1 -0.1 78 82 A S S < S- 0 0 30 -3,-2.1 -1,-0.3 1,-0.0 2,-0.2 -0.741 77.9 -67.8-103.6 170.0 16.5 -17.6 -0.3 79 83 A S S S+ 0 0 54 -2,-0.3 25,-3.6 23,-0.1 26,-0.4 -0.417 71.1 169.5 -58.7 127.3 13.0 -18.3 -1.6 80 84 A V - 0 0 24 23,-0.3 345,-0.1 -2,-0.2 23,-0.1 -0.961 49.0-142.7-149.5 146.0 13.4 -19.0 -5.3 81 85 A M - 0 0 11 -2,-0.3 -1,-0.1 343,-0.0 -2,-0.0 0.538 53.7-118.9 -81.7 -13.6 11.6 -20.3 -8.5 82 86 A F + 0 0 75 1,-0.2 2,-0.2 -15,-0.1 -14,-0.1 0.961 47.5 177.6 64.1 54.3 14.8 -22.0 -9.6 83 87 A L - 0 0 4 -16,-0.4 -14,-0.5 4,-0.0 -1,-0.2 -0.583 13.3-153.5 -76.1 148.7 15.1 -20.1 -12.9 84 88 A K > - 0 0 106 -2,-0.2 3,-2.4 -16,-0.1 -21,-0.3 -0.970 30.6 -86.2-125.4 147.8 18.1 -20.7 -15.1 85 89 A P T 3 S+ 0 0 39 0, 0.0 -21,-0.2 0, 0.0 3,-0.1 -0.092 114.8 23.7 -47.4 142.1 19.8 -18.4 -17.5 86 90 A G T 3 S+ 0 0 53 -23,-2.3 -22,-0.1 1,-0.3 -21,-0.0 0.217 87.3 138.6 80.2 -14.1 18.2 -18.5 -21.0 87 91 A D < - 0 0 37 -3,-2.4 -24,-2.3 -24,-0.1 2,-0.5 -0.305 47.9-142.0 -54.2 146.6 14.9 -19.8 -19.6 88 92 A Q E +F 62 0C 106 -26,-0.2 2,-0.4 -3,-0.1 -26,-0.2 -0.978 29.1 170.5-111.7 120.1 11.8 -18.1 -21.2 89 93 A V E -F 61 0C 6 -28,-2.6 -28,-2.7 -2,-0.5 -6,-0.0 -0.982 32.4-112.1-135.8 139.9 9.1 -17.4 -18.7 90 94 A S E > -F 60 0C 19 -2,-0.4 4,-2.4 -30,-0.2 5,-0.2 -0.315 21.2-122.5 -70.9 154.8 5.9 -15.4 -19.0 91 95 A V H > S+ 0 0 0 -32,-2.2 4,-2.9 -35,-0.4 5,-0.2 0.920 115.1 59.1 -54.4 -42.9 5.3 -12.1 -17.2 92 96 A A H > S+ 0 0 24 -35,-2.4 4,-2.1 -33,-0.2 -1,-0.2 0.887 108.4 42.1 -55.7 -46.3 2.2 -13.8 -15.7 93 97 A D H > S+ 0 0 48 -36,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.894 115.1 48.3 -68.1 -44.1 4.3 -16.7 -14.2 94 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.884 111.4 53.4 -64.1 -36.2 7.1 -14.4 -12.9 95 99 A N H X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 0.939 109.6 46.0 -63.5 -48.7 4.4 -12.1 -11.4 96 100 A K H X>S+ 0 0 65 -4,-2.1 4,-2.8 -5,-0.2 5,-1.2 0.847 109.2 57.5 -62.3 -35.0 2.7 -15.0 -9.6 97 101 A G H <>S+ 0 0 0 -4,-1.9 6,-2.8 3,-0.2 5,-0.6 0.899 110.4 42.7 -60.1 -41.9 6.2 -16.1 -8.4 98 102 A V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 4,-0.3 -1,-0.2 0.936 124.5 35.2 -63.8 -47.7 6.7 -12.7 -6.8 99 103 A I H <5S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.947 129.5 24.2 -82.4 -49.2 3.3 -12.5 -5.3 100 104 A I T <5S+ 0 0 5 -4,-2.8 90,-0.6 -5,-0.2 -3,-0.2 0.920 137.0 26.3 -89.3 -46.7 2.3 -16.0 -4.3 101 105 A Q T - 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