==== 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 02-OCT-07 2RG2 . COMPND 2 MOLECULE: CHOLOYLGLYCINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.ROSSMANN,W.SAENGER . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 14.6 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 0 0 0 0 3 1 0 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 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 6 2 3 0 1 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 . 2 1 0 0 0 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 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 2 A X 0 0 14 0, 0.0 2,-0.4 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 157.2 -19.3 26.8 25.2 2 3 A T E -A 18 0A 0 16,-1.7 16,-2.4 171,-0.1 2,-0.3 -0.960 360.0-160.0-135.7 119.2 -22.2 24.5 25.4 3 4 A G E -AB 17 172A 0 169,-3.1 169,-1.7 -2,-0.4 2,-0.3 -0.728 10.2-174.4 -98.2 149.6 -22.4 21.1 23.7 4 5 A L E -AB 16 171A 0 12,-2.5 12,-2.2 -2,-0.3 2,-0.4 -1.000 16.2-165.8-145.0 136.6 -25.5 19.2 22.9 5 6 A A E +A 15 0A 8 165,-2.4 2,-0.3 -2,-0.3 10,-0.2 -0.991 22.0 169.1-118.7 133.3 -26.5 15.8 21.5 6 7 A L E -A 14 0A 3 8,-2.6 8,-3.2 -2,-0.4 2,-0.4 -0.994 26.6-139.7-147.5 137.0 -30.1 15.2 20.4 7 8 A E E -A 13 0A 93 -2,-0.3 6,-0.2 6,-0.2 239,-0.1 -0.832 23.0-136.4 -99.5 133.1 -32.0 12.6 18.5 8 9 A T > - 0 0 14 4,-3.0 3,-2.3 -2,-0.4 239,-0.2 -0.347 29.0-101.2 -81.6 167.4 -34.7 13.6 16.0 9 10 A K T 3 S+ 0 0 98 237,-3.2 238,-0.1 1,-0.3 -1,-0.1 0.704 123.5 56.8 -58.4 -21.9 -38.1 12.1 15.5 10 11 A D T 3 S- 0 0 118 236,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.355 123.2-103.4 -93.0 2.3 -36.7 10.2 12.4 11 12 A G S < S+ 0 0 27 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.670 74.4 142.5 82.4 18.6 -34.0 8.5 14.5 12 13 A L - 0 0 44 271,-0.0 -4,-3.0 272,-0.0 2,-0.6 -0.660 46.7-130.3 -90.3 148.8 -31.2 10.8 13.3 13 14 A H E -A 7 0A 22 -2,-0.3 270,-2.5 -6,-0.2 2,-0.4 -0.898 19.2-166.7-109.3 120.0 -28.5 11.9 15.7 14 15 A L E +AC 6 282A 6 -8,-3.2 -8,-2.6 -2,-0.6 2,-0.3 -0.839 10.7 171.9-102.8 141.4 -27.5 15.6 16.0 15 16 A F E +AC 5 281A 1 266,-1.7 266,-3.2 -2,-0.4 2,-0.3 -0.981 19.5 104.1-150.2 133.2 -24.4 16.8 17.8 16 17 A G E -A 4 0A 0 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.3 -0.958 40.2-119.4-178.7-163.5 -22.8 20.2 18.1 17 18 A L E -A 3 0A 0 262,-0.4 262,-2.7 -2,-0.3 2,-0.6 -0.996 21.3-110.3-157.8 157.6 -22.1 23.2 20.2 18 19 A N E -AD 2 278A 0 -16,-2.4 -16,-1.7 -2,-0.3 2,-0.8 -0.880 35.1-147.9 -80.2 123.6 -22.4 26.9 20.9 19 20 A M E - D 0 277A 14 258,-2.9 257,-2.1 -2,-0.6 258,-1.1 -0.892 17.3-168.6-100.2 108.5 -18.8 28.2 20.5 20 21 A D E + D 0 275A 4 -2,-0.8 2,-0.3 255,-0.3 255,-0.3 -0.903 25.2 133.2-109.8 109.0 -18.7 31.1 23.0 21 22 A I E - D 0 274A 22 253,-1.9 253,-1.5 -2,-0.7 255,-0.1 -0.973 57.1-125.4-154.1 160.3 -15.7 33.3 22.7 22 23 A E S S+ 0 0 54 -2,-0.3 2,-0.3 251,-0.2 250,-0.2 0.337 88.0 35.7 -95.3 8.4 -14.8 37.0 22.6 23 24 A Y S S- 0 0 115 251,-0.1 2,-0.3 248,-0.1 253,-0.1 -0.960 81.8 -97.5-151.1 164.4 -12.9 36.9 19.3 24 25 A S - 0 0 82 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.660 20.4-160.7 -78.2 142.5 -12.5 35.4 15.8 25 26 A F - 0 0 53 -2,-0.3 -1,-0.1 32,-0.1 0, 0.0 0.097 52.3 -99.1-108.8 24.1 -10.0 32.6 15.6 26 27 A N - 0 0 123 1,-0.2 33,-0.3 32,-0.1 31,-0.1 0.828 67.0-179.9 65.0 36.4 -9.7 32.9 11.7 27 28 A Q + 0 0 14 31,-0.1 291,-0.5 29,-0.1 2,-0.3 -0.231 19.6 166.5 -75.3 152.3 -12.1 30.0 11.4 28 29 A S E -GH 57 317B 23 29,-2.3 29,-2.7 289,-0.1 2,-0.4 -0.939 44.2 -97.8-145.6 167.8 -13.4 28.3 8.3 29 30 A I E -GH 56 316B 0 287,-2.1 287,-2.1 -2,-0.3 2,-0.4 -0.730 46.0-158.7 -84.4 136.5 -15.3 25.0 7.6 30 31 A I E -GH 55 315B 0 25,-3.3 25,-2.0 -2,-0.4 2,-0.4 -0.984 13.1-164.9-129.3 131.0 -12.7 22.4 6.5 31 32 A F E -GH 54 314B 2 283,-3.3 283,-2.5 -2,-0.4 23,-0.2 -0.964 4.3-172.8-114.8 131.2 -13.2 19.2 4.6 32 33 A I E -G 53 0B 0 21,-2.6 21,-2.4 -2,-0.4 281,-0.1 -0.984 18.6-137.1-122.6 120.8 -10.5 16.5 4.4 33 34 A P > - 0 0 0 0, 0.0 3,-0.6 0, 0.0 16,-0.2 -0.161 35.9 -88.0 -63.8 167.0 -11.0 13.5 2.1 34 35 A R T 3 S+ 0 0 57 274,-2.8 16,-0.2 1,-0.2 17,-0.1 -0.414 110.5 27.0 -73.4 157.6 -10.1 10.0 3.3 35 36 A N T 3 S+ 0 0 112 14,-2.2 2,-0.5 1,-0.2 -1,-0.2 0.807 88.6 150.6 58.6 32.7 -6.5 8.7 2.9 36 37 A F < - 0 0 44 -3,-0.6 13,-2.3 13,-0.2 2,-1.0 -0.836 45.9-134.1-101.3 132.4 -5.2 12.3 3.0 37 38 A K E -N 48 0C 112 -2,-0.5 2,-0.6 11,-0.2 11,-0.3 -0.711 16.7-160.7 -88.7 101.9 -1.8 13.0 4.4 38 39 A C E -N 47 0C 1 9,-3.2 9,-2.0 -2,-1.0 2,-0.6 -0.756 12.6-156.5 -83.1 121.3 -2.0 16.0 6.7 39 40 A V E -N 46 0C 62 -2,-0.6 2,-0.9 23,-0.3 7,-0.2 -0.896 13.1-155.3-111.5 119.6 1.5 17.4 7.0 40 41 A N E >> -N 45 0C 7 5,-3.1 4,-1.4 -2,-0.6 5,-0.7 -0.804 7.6-170.0 -90.5 99.9 2.7 19.5 10.0 41 42 A K T 45S+ 0 0 124 -2,-0.9 -1,-0.1 20,-0.6 20,-0.1 0.643 78.6 66.2 -65.1 -17.2 5.5 21.6 8.6 42 43 A S T 45S+ 0 0 64 1,-0.2 -1,-0.2 90,-0.1 91,-0.1 0.943 123.5 9.5 -72.3 -50.4 6.5 22.7 12.1 43 44 A N T 45S- 0 0 58 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.255 99.0-119.9-112.8 6.8 7.6 19.4 13.5 44 45 A K T <5 + 0 0 182 -4,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.689 66.6 142.3 57.6 21.5 7.5 17.4 10.2 45 46 A K E < -N 40 0C 137 -5,-0.7 -5,-3.1 -6,-0.0 2,-0.3 -0.574 32.9-159.4 -86.5 156.6 5.0 15.1 11.7 46 47 A E E -N 39 0C 114 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.905 16.1-163.5-134.8 161.1 2.1 13.7 9.6 47 48 A L E -N 38 0C 21 -9,-2.0 -9,-3.2 -2,-0.3 2,-0.6 -0.948 11.2-155.4-144.3 122.0 -1.4 12.2 10.1 48 49 A T E -N 37 0C 66 -2,-0.3 -11,-0.2 -11,-0.3 2,-0.2 -0.905 23.6-125.0-100.2 124.0 -3.1 10.3 7.3 49 50 A T - 0 0 1 -13,-2.3 -14,-2.2 -2,-0.6 -13,-0.2 -0.434 19.9-170.2 -67.5 132.7 -6.9 10.2 7.6 50 51 A K S S+ 0 0 108 60,-2.2 2,-0.3 -2,-0.2 61,-0.2 0.808 80.3 33.4 -81.0 -35.9 -8.6 6.9 7.6 51 52 A Y S S- 0 0 26 59,-1.3 -1,-0.2 58,-0.1 -15,-0.1 -0.912 93.5-101.5-122.2 148.1 -12.0 8.6 7.3 52 53 A A - 0 0 0 -2,-0.3 20,-1.9 -3,-0.1 2,-0.3 -0.406 41.8-154.5 -66.4 143.3 -13.1 11.8 5.6 53 54 A V E -GI 32 71B 0 -21,-2.4 -21,-2.6 18,-0.2 2,-0.3 -0.930 17.2-178.0-127.3 143.6 -13.6 14.7 8.1 54 55 A L E +GI 31 70B 0 16,-2.8 16,-2.7 -2,-0.3 2,-0.3 -0.977 29.5 108.4-143.2 127.2 -15.7 17.9 8.1 55 56 A G E -GI 30 69B 0 -25,-2.0 -25,-3.3 -2,-0.3 2,-0.4 -0.979 62.5 -67.2-173.5-176.5 -15.7 20.6 10.7 56 57 A M E +GI 29 68B 0 12,-2.1 11,-3.1 -2,-0.3 12,-1.3 -0.807 69.3 105.6 -93.4 132.5 -14.9 24.1 11.9 57 58 A G E -GI 28 66B 1 -29,-2.7 -29,-2.3 -2,-0.4 2,-0.3 -0.897 55.9 -94.1-171.7-158.7 -11.3 24.9 12.4 58 59 A T E - I 0 65B 10 7,-2.2 7,-2.3 -2,-0.3 2,-0.5 -0.977 23.0-129.5-142.5 153.5 -8.2 26.7 11.1 59 60 A I E - I 0 64B 49 -2,-0.3 2,-0.6 -33,-0.3 3,-0.1 -0.932 16.1-167.9-110.6 121.6 -5.3 25.8 8.9 60 61 A F E > S- I 0 63B 63 3,-2.3 3,-2.0 -2,-0.5 -19,-0.2 -0.949 78.1 -24.0-107.6 112.3 -1.7 26.6 10.2 61 62 A D T 3 S- 0 0 120 -2,-0.6 -20,-0.6 1,-0.3 -1,-0.2 0.923 127.7 -48.9 51.5 51.7 0.9 26.2 7.4 62 63 A D T 3 S+ 0 0 123 1,-0.2 -23,-0.3 -3,-0.1 -1,-0.3 0.361 114.6 119.1 70.1 0.2 -1.3 23.8 5.4 63 64 A Y E < -I 60 0B 7 -3,-2.0 -3,-2.3 -25,-0.1 2,-0.2 -0.842 59.5-135.8 -98.9 120.4 -2.0 21.7 8.6 64 65 A P E -I 59 0B 0 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.493 22.6-179.8 -79.1 138.9 -5.7 21.5 9.6 65 66 A T E -I 58 0B 16 -7,-2.3 -7,-2.2 -2,-0.2 2,-0.3 -0.990 14.0-148.0-131.0 144.4 -6.8 21.8 13.3 66 67 A F E -I 57 0B 14 36,-0.4 39,-0.3 -2,-0.3 -9,-0.3 -0.864 27.4-169.5-119.5 147.3 -10.4 21.6 14.4 67 68 A A E S- 0 0 20 -11,-3.1 12,-2.7 1,-0.4 2,-0.3 0.762 89.1 -11.8 -88.1 -38.5 -12.6 23.1 17.1 68 69 A D E S+IJ 56 78B 0 -12,-1.3 -12,-2.1 10,-0.2 -1,-0.4 -0.973 78.0 139.4-162.5 150.4 -15.5 20.6 16.3 69 70 A G E -IJ 55 77B 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.3 -0.991 30.1-127.8-179.3 177.3 -16.3 18.2 13.5 70 71 A M E -IJ 54 76B 0 -16,-2.7 -16,-2.8 -2,-0.3 2,-0.3 -0.887 15.9-137.0-140.2 166.7 -17.5 14.9 12.3 71 72 A N E > -I 53 0B 0 4,-1.8 3,-1.8 -2,-0.3 -18,-0.2 -0.772 35.8 -96.4-124.2 175.3 -16.4 12.1 10.0 72 73 A E T 3 S+ 0 0 52 -20,-1.9 -19,-0.1 1,-0.3 41,-0.1 0.641 119.1 60.8 -64.7 -16.9 -18.0 9.9 7.3 73 74 A K T 3 S- 0 0 102 -21,-0.3 -1,-0.3 39,-0.2 75,-0.3 0.514 120.8-102.4 -87.8 -7.0 -18.7 7.2 9.8 74 75 A G S < S+ 0 0 0 -3,-1.8 2,-0.5 1,-0.3 74,-0.3 0.688 74.3 141.4 92.5 19.5 -21.0 9.4 11.9 75 76 A L - 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