==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-05 2BJF . COMPND 2 MOLECULE: CHOLOYLGLYCINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.ROSSOCHA,R.SCHULTZ-HEIENBROK,H.VON MOELLER,J.P.COLEMAN, . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.4 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 . 86 26.2 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 1 1 2 4 2 3 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 . 2 1 0 0 1 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 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 C 0 0 6 0, 0.0 2,-0.4 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 149.3 27.2 9.9 29.7 2 3 A T E -A 18 0A 0 16,-1.1 16,-2.4 171,-0.1 2,-0.3 -0.974 360.0-159.9-136.8 122.3 23.5 10.3 29.8 3 4 A G E -AB 17 172A 0 169,-3.3 169,-1.6 -2,-0.4 2,-0.3 -0.768 12.7-173.9 -98.1 146.8 21.0 7.9 28.2 4 5 A L E -AB 16 171A 0 12,-2.5 12,-2.1 -2,-0.3 2,-0.4 -0.997 16.9-167.7-146.1 134.3 17.4 8.8 27.4 5 6 A A E +A 15 0A 8 165,-2.4 2,-0.3 -2,-0.3 10,-0.2 -0.991 20.3 170.3-119.7 132.5 14.3 7.1 26.1 6 7 A L E -A 14 0A 4 8,-2.6 8,-3.2 -2,-0.4 2,-0.4 -0.991 26.4-140.4-148.3 130.1 11.4 9.3 25.0 7 8 A E E -A 13 0A 89 -2,-0.3 6,-0.2 6,-0.2 239,-0.1 -0.793 25.5-135.0 -92.8 132.3 8.1 8.7 23.2 8 9 A T > - 0 0 15 4,-2.9 3,-1.7 -2,-0.4 239,-0.2 -0.259 27.0-100.3 -80.4 169.4 7.0 11.3 20.6 9 10 A K T 3 S+ 0 0 91 237,-2.9 238,-0.1 1,-0.3 -1,-0.1 0.734 123.9 52.2 -58.5 -26.3 3.5 12.8 20.1 10 11 A D T 3 S- 0 0 126 236,-0.3 -1,-0.3 2,-0.1 237,-0.1 0.419 124.5-100.9 -92.3 -1.3 2.9 10.4 17.2 11 12 A G S < S+ 0 0 28 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.586 75.8 139.8 90.2 12.8 3.8 7.3 19.3 12 13 A L - 0 0 50 271,-0.0 -4,-2.9 272,-0.0 2,-0.6 -0.540 48.8-125.3 -85.4 156.4 7.3 6.8 17.9 13 14 A H E -A 7 0A 23 -6,-0.2 270,-2.5 -2,-0.2 2,-0.4 -0.908 19.7-166.0-114.4 117.4 10.2 5.8 20.3 14 15 A L E +AC 6 282A 7 -8,-3.2 -8,-2.6 -2,-0.6 2,-0.3 -0.816 10.6 173.8 -98.9 137.7 13.4 7.8 20.6 15 16 A F E +AC 5 281A 0 266,-2.0 266,-3.2 -2,-0.4 2,-0.3 -0.985 19.9 110.5-144.8 133.4 16.4 6.4 22.3 16 17 A G E -AC 4 280A 0 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.3 -0.930 36.7-126.0-175.7-162.9 19.9 7.8 22.5 17 18 A R E -AC 3 279A 2 262,-1.1 262,-2.6 -2,-0.3 2,-0.4 -0.998 20.1-111.0-162.8 154.2 22.7 9.4 24.6 18 19 A N E -AC 2 278A 0 -16,-2.4 -16,-1.1 -2,-0.3 2,-0.7 -0.846 33.2-143.1 -83.7 133.8 25.2 12.1 25.4 19 20 A M E - C 0 277A 13 258,-2.7 257,-2.4 -2,-0.4 2,-0.8 -0.906 17.9-170.1 -99.5 108.7 28.8 10.7 24.9 20 21 A D E + C 0 275A 10 -2,-0.7 2,-0.3 255,-0.3 255,-0.2 -0.838 29.2 127.2-107.1 97.5 30.9 12.3 27.7 21 22 A I E - C 0 274A 14 253,-1.7 253,-1.6 -2,-0.8 255,-0.1 -0.955 56.4-136.0-144.3 160.9 34.6 11.7 27.2 22 23 A E S S+ 0 0 57 -2,-0.3 2,-0.3 251,-0.2 250,-0.1 0.270 85.6 51.5-100.1 9.6 37.8 13.7 27.0 23 24 A Y S S- 0 0 105 251,-0.1 2,-0.4 248,-0.1 -2,-0.1 -0.858 80.1-109.0-139.7 167.0 39.2 11.8 23.9 24 25 A S - 0 0 74 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.857 14.8-163.3 -96.9 139.0 38.3 10.6 20.4 25 26 A F - 0 0 42 -2,-0.4 -1,-0.1 32,-0.1 -2,-0.0 -0.082 52.0-102.3-109.1 34.9 37.8 6.9 19.8 26 27 A N - 0 0 136 1,-0.2 33,-0.4 32,-0.1 2,-0.1 0.878 63.1-172.6 47.5 44.8 38.2 7.1 16.1 27 28 A Q + 0 0 15 31,-0.1 291,-0.5 29,-0.1 2,-0.3 -0.306 20.9 164.3 -74.9 147.6 34.4 6.9 15.8 28 29 A S E -FG 57 317B 20 29,-2.5 29,-2.4 289,-0.1 2,-0.7 -0.933 47.0 -96.6-144.7 166.2 32.3 6.6 12.7 29 30 A I E -FG 56 316B 0 287,-2.3 287,-2.3 -2,-0.3 2,-0.5 -0.821 48.1-155.9 -87.2 118.8 28.7 5.6 12.2 30 31 A I E -FG 55 315B 0 25,-3.3 25,-1.8 -2,-0.7 2,-0.5 -0.854 14.2-166.1-108.8 127.6 28.8 1.9 11.3 31 32 A F E -FG 54 314B 5 283,-3.4 283,-2.4 -2,-0.5 23,-0.2 -0.951 5.1-173.8-108.7 128.2 26.3 -0.1 9.3 32 33 A I E -F 53 0B 0 21,-2.7 21,-2.8 -2,-0.5 281,-0.1 -0.987 15.3-143.7-121.2 121.9 26.4 -3.9 9.4 33 34 A P > - 0 0 0 0, 0.0 3,-0.7 0, 0.0 16,-0.2 -0.153 34.8 -75.1 -74.4 174.3 24.1 -5.9 7.1 34 35 A R T 3 S+ 0 0 82 274,-3.0 16,-0.2 1,-0.2 17,-0.1 -0.292 112.7 19.7 -64.0 153.4 22.3 -9.3 7.9 35 36 A N T 3 S+ 0 0 135 14,-1.9 2,-0.6 1,-0.2 -1,-0.2 0.780 84.4 151.3 57.1 32.9 24.4 -12.5 7.9 36 37 A F < - 0 0 50 -3,-0.7 13,-2.0 13,-0.1 2,-0.7 -0.864 40.0-139.7 -99.9 123.6 27.7 -10.7 8.3 37 38 A K E -M 48 0C 111 -2,-0.6 2,-0.6 11,-0.2 11,-0.3 -0.723 13.1-162.9 -87.2 114.5 30.5 -12.6 10.0 38 39 A C E -M 47 0C 2 9,-3.9 9,-2.3 -2,-0.7 2,-0.5 -0.882 9.3-167.0 -97.3 119.6 32.6 -10.5 12.4 39 40 A V E -M 46 0C 49 -2,-0.6 2,-0.6 23,-0.2 7,-0.2 -0.936 15.5-146.0-114.6 123.1 35.9 -12.2 13.3 40 41 A N > - 0 0 1 5,-2.7 4,-1.5 -2,-0.5 5,-0.1 -0.791 10.5-158.3 -84.0 118.4 38.2 -11.0 16.1 41 42 A K T 4 S+ 0 0 136 -2,-0.6 -1,-0.1 20,-0.5 92,-0.1 0.790 84.3 53.2 -70.7 -30.8 41.7 -11.7 14.9 42 43 A S T 4 S+ 0 0 60 90,-0.4 -1,-0.2 1,-0.2 91,-0.1 0.891 127.2 16.7 -74.1 -42.2 43.4 -11.8 18.3 43 44 A N T 4 S- 0 0 44 89,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.341 94.5-127.1-115.7 3.4 41.1 -14.4 20.0 44 45 A K < + 0 0 174 -4,-1.5 -3,-0.1 1,-0.2 2,-0.1 0.492 55.1 152.2 64.0 6.6 39.4 -16.0 16.9 45 46 A K - 0 0 80 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.3 -0.435 28.3-155.0 -69.8 140.8 36.0 -15.4 18.4 46 47 A E E -M 39 0C 123 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.890 18.5-174.1-124.5 148.1 33.2 -14.9 15.8 47 48 A L E -M 38 0C 14 -9,-2.3 -9,-3.9 -2,-0.3 2,-0.5 -0.971 6.3-164.7-139.7 125.0 29.8 -13.3 15.6 48 49 A T E -M 37 0C 63 -2,-0.4 -11,-0.2 -11,-0.3 2,-0.1 -0.952 26.5-124.6-110.2 121.2 27.4 -13.5 12.6 49 50 A T - 0 0 3 -13,-2.0 -14,-1.9 -2,-0.5 62,-0.1 -0.359 23.4-175.5 -66.8 135.5 24.6 -11.0 12.6 50 51 A K S S+ 0 0 124 60,-2.2 2,-0.3 1,-0.2 61,-0.2 0.807 79.2 35.8 -88.5 -44.9 21.0 -12.1 12.5 51 52 A Y S S- 0 0 29 59,-1.7 -1,-0.2 58,-0.1 2,-0.1 -0.812 93.4-104.8-110.0 149.0 19.7 -8.6 12.2 52 53 A A - 0 0 0 -2,-0.3 20,-1.6 -3,-0.1 2,-0.4 -0.439 39.6-151.9 -68.3 145.5 21.2 -5.5 10.5 53 54 A V E -FH 32 71B 0 -21,-2.8 -21,-2.7 18,-0.2 2,-0.4 -0.941 17.7-177.7-128.1 141.3 22.8 -3.0 12.8 54 55 A L E +FH 31 70B 0 16,-2.7 16,-2.7 -2,-0.4 2,-0.3 -0.986 30.3 104.3-137.9 130.5 23.4 0.8 12.7 55 56 A G E -FH 30 69B 0 -25,-1.8 -25,-3.3 -2,-0.4 2,-0.4 -0.988 64.7 -64.1-179.5 178.3 25.2 2.9 15.3 56 57 A M E +FH 29 68B 0 12,-1.8 11,-3.1 -2,-0.3 12,-1.5 -0.685 69.8 110.9 -82.5 132.9 28.2 4.8 16.5 57 58 A G E -FH 28 66B 0 -29,-2.4 -29,-2.5 -2,-0.4 2,-0.3 -0.914 52.1-105.3-169.7-162.4 31.4 2.8 17.1 58 59 A T E - H 0 65B 19 7,-2.5 7,-2.5 -2,-0.3 2,-0.8 -0.978 19.2-123.5-144.4 156.3 34.9 2.1 15.8 59 60 A I E - H 0 64B 70 -33,-0.4 2,-0.5 -2,-0.3 3,-0.3 -0.890 35.2-176.3-102.9 103.7 36.7 -0.6 13.9 60 61 A F E > - H 0 63B 85 3,-2.7 3,-1.9 -2,-0.8 -2,-0.0 -0.904 69.2 -13.0-109.1 123.9 39.6 -1.7 16.2 61 62 A D T 3 S- 0 0 78 -2,-0.5 -20,-0.5 1,-0.3 -1,-0.2 0.866 131.5 -53.8 52.3 40.7 42.1 -4.3 14.9 62 63 A D T 3 S+ 0 0 112 -3,-0.3 -1,-0.3 1,-0.2 -23,-0.2 0.482 119.1 112.3 74.3 7.9 39.6 -5.0 12.0 63 64 A Y E < -H 60 0B 3 -3,-1.9 -3,-2.7 -25,-0.1 2,-0.3 -0.938 65.1-128.8-118.0 129.7 36.8 -5.7 14.5 64 65 A P E +H 59 0B 4 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.567 28.0 176.4 -78.1 132.0 33.6 -3.5 15.0 65 66 A T E -H 58 0B 27 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.3 -0.998 17.1-138.5-136.6 139.9 32.8 -2.3 18.5 66 67 A F E -H 57 0B 19 36,-0.4 -9,-0.3 -2,-0.3 39,-0.2 -0.702 26.6-172.7-111.4 149.1 29.9 0.0 19.4 67 68 A A E S- 0 0 13 -11,-3.1 12,-2.9 1,-0.4 2,-0.3 0.752 86.3 -18.5 -95.7 -39.4 29.2 2.9 21.8 68 69 A D E S+HI 56 78B 0 -12,-1.5 -12,-1.8 10,-0.2 -1,-0.4 -0.936 77.0 135.0-164.6 150.4 25.4 3.0 20.9 69 70 A G E -HI 55 77B 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.3 -0.981 30.8-127.8-175.7-177.6 23.2 1.7 18.2 70 71 A M E -HI 54 76B 0 -16,-2.7 -16,-2.7 -2,-0.3 6,-0.2 -0.929 16.3-128.8-142.8 166.7 20.0 -0.1 17.1 71 72 A N E > -H 53 0B 0 4,-2.1 3,-1.7 -2,-0.3 -18,-0.2 -0.662 37.8 -95.5-111.1 176.7 18.9 -2.9 14.9 72 73 A E T 3 S+ 0 0 40 -20,-1.6 -19,-0.1 1,-0.3 41,-0.1 0.598 119.6 61.7 -64.3 -14.4 16.3 -3.2 12.1 73 74 A K T 3 S- 0 0 99 -21,-0.2 -1,-0.3 39,-0.2 75,-0.3 0.467 120.8-101.4 -93.8 -4.2 13.7 -4.5 14.5 74 75 A G S < S+ 0 0 1 -3,-1.7 2,-0.5 1,-0.3 74,-0.3 0.654 74.6 140.7 91.1 18.4 13.7 -1.4 16.7 75 76 A L - 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