==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-07 2RLC . COMPND 2 MOLECULE: CHOLOYLGLYCINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.ROSSMANN,W.SAENGER . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.2 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 26.1 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 . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 14.0 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 X 0 0 8 0, 0.0 2,-0.4 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 142.6 51.4 5.3 25.5 2 3 A T E -A 18 0A 0 16,-1.1 16,-2.4 171,-0.1 2,-0.3 -0.981 360.0-162.4-136.8 123.4 54.3 7.7 25.4 3 4 A G E -AB 17 172A 0 169,-3.5 169,-1.7 -2,-0.4 2,-0.3 -0.804 11.9-174.8-101.0 147.2 54.4 11.2 23.8 4 5 A L E -AB 16 171A 0 12,-2.5 12,-2.2 -2,-0.3 2,-0.4 -0.999 15.5-166.9-144.9 136.6 57.6 13.0 22.9 5 6 A A E +A 15 0A 7 165,-2.5 2,-0.3 -2,-0.3 10,-0.2 -0.988 19.3 170.4-120.7 136.6 58.6 16.4 21.6 6 7 A L E -A 14 0A 3 8,-2.6 8,-3.6 -2,-0.4 2,-0.5 -0.996 27.4-138.1-149.0 136.5 62.2 17.1 20.4 7 8 A E E -A 13 0A 85 -2,-0.3 6,-0.2 6,-0.2 239,-0.1 -0.843 26.4-135.3 -95.3 131.2 64.0 19.8 18.6 8 9 A T > - 0 0 15 4,-2.9 3,-2.1 -2,-0.5 239,-0.2 -0.305 27.7-101.7 -79.1 165.9 66.6 18.8 15.9 9 10 A K T 3 S+ 0 0 108 237,-3.2 238,-0.1 1,-0.3 -1,-0.1 0.694 123.4 56.7 -56.8 -22.5 70.1 20.1 15.5 10 11 A D T 3 S- 0 0 122 236,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.207 122.9-103.5 -98.8 12.4 68.7 22.2 12.5 11 12 A G S < S+ 0 0 29 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.612 77.7 135.5 77.8 13.2 66.1 23.9 14.7 12 13 A L - 0 0 40 271,-0.0 -4,-2.9 138,-0.0 2,-0.5 -0.543 51.4-122.3 -90.4 161.6 63.2 21.8 13.4 13 14 A H E -A 7 0A 20 -6,-0.2 270,-2.4 -2,-0.2 2,-0.4 -0.918 18.9-165.5-119.6 120.0 60.6 20.3 15.7 14 15 A L E +AC 6 282A 6 -8,-3.6 -8,-2.6 -2,-0.5 2,-0.3 -0.810 11.0 174.5 -98.9 138.6 59.7 16.6 16.0 15 16 A F E +AC 5 281A 0 266,-1.7 266,-3.2 -2,-0.4 2,-0.3 -0.986 20.0 111.9-145.3 133.5 56.5 15.5 17.7 16 17 A G E -AC 4 280A 0 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.3 -0.935 35.9-129.2-174.6-163.1 55.2 11.9 18.1 17 18 A R E -AC 3 279A 0 262,-1.2 262,-2.6 -2,-0.3 2,-0.5 -0.993 21.1-110.5-163.9 155.5 54.3 8.9 20.1 18 19 A N E -AC 2 278A 0 -16,-2.4 -16,-1.1 -2,-0.3 2,-0.7 -0.869 31.3-143.6 -87.1 133.4 54.4 5.2 20.9 19 20 A X E - C 0 277A 13 258,-3.0 257,-2.4 -2,-0.5 258,-0.9 -0.916 19.0-172.8 -98.4 110.0 51.0 3.6 20.4 20 21 A D E + C 0 275A 2 -2,-0.7 2,-0.3 255,-0.3 255,-0.2 -0.858 26.9 129.6-110.6 96.9 50.8 0.9 23.1 21 22 A I E - C 0 274A 15 253,-1.5 253,-1.4 -2,-0.7 255,-0.1 -0.944 56.2-133.9-143.2 162.9 47.6 -1.3 22.6 22 23 A E S S+ 0 0 63 -2,-0.3 2,-0.3 251,-0.2 250,-0.1 0.332 86.0 44.6 -99.8 6.3 46.7 -5.0 22.5 23 24 A Y S S- 0 0 111 251,-0.1 2,-0.4 248,-0.1 -2,-0.1 -0.864 81.3-104.3-141.9 168.5 44.5 -4.7 19.4 24 25 A S - 0 0 74 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.812 15.2-162.5 -93.8 140.9 44.2 -3.1 15.9 25 26 A F - 0 0 44 -2,-0.4 -1,-0.1 32,-0.1 -2,-0.0 -0.030 54.0-100.6-107.9 31.9 41.9 -0.1 15.4 26 27 A N - 0 0 132 1,-0.2 33,-0.4 32,-0.1 31,-0.1 0.895 64.1-173.1 50.7 45.6 41.7 -0.6 11.6 27 28 A Q + 0 0 16 31,-0.1 291,-0.5 29,-0.1 2,-0.3 -0.308 19.8 164.2 -75.0 149.6 44.3 2.2 11.4 28 29 A S E -FG 57 317B 19 29,-2.3 29,-2.3 289,-0.1 2,-0.6 -0.942 47.1 -95.7-147.9 164.0 45.6 3.9 8.3 29 30 A I E -FG 56 316B 0 287,-2.5 287,-2.2 -2,-0.3 2,-0.5 -0.783 48.5-157.6 -82.6 123.1 47.5 7.1 7.6 30 31 A I E -FG 55 315B 0 25,-3.5 25,-1.9 -2,-0.6 2,-0.5 -0.921 14.8-167.5-115.3 125.4 44.8 9.6 6.7 31 32 A F E -FG 54 314B 2 283,-3.7 283,-2.3 -2,-0.5 23,-0.2 -0.946 4.7-172.7-106.7 128.5 45.2 12.8 4.7 32 33 A I E -F 53 0B 0 21,-2.9 21,-3.0 -2,-0.5 281,-0.1 -0.987 16.5-140.8-119.6 121.1 42.3 15.3 4.8 33 34 A P > - 0 0 0 0, 0.0 3,-0.7 0, 0.0 16,-0.2 -0.138 34.3 -76.0 -71.2 172.9 42.6 18.4 2.4 34 35 A R T 3 S+ 0 0 70 274,-2.9 16,-0.2 1,-0.2 17,-0.1 -0.261 111.9 17.2 -64.2 155.1 41.5 22.0 3.2 35 36 A N T 3 S+ 0 0 135 14,-1.9 2,-0.5 1,-0.2 -1,-0.2 0.817 86.9 155.8 49.9 38.0 37.9 23.0 3.2 36 37 A F < - 0 0 47 -3,-0.7 13,-2.1 13,-0.2 2,-0.6 -0.843 39.6-134.8-100.0 130.3 36.8 19.4 3.5 37 38 A K E -M 48 0C 130 -2,-0.5 2,-0.5 11,-0.2 11,-0.2 -0.740 18.6-169.4 -89.9 115.0 33.4 18.6 5.0 38 39 A C E -M 47 0C 4 9,-3.7 9,-2.7 -2,-0.6 2,-0.4 -0.924 7.5-171.2-106.3 120.9 33.3 15.8 7.5 39 40 A V E -M 46 0C 79 -2,-0.5 2,-0.3 7,-0.2 7,-0.2 -0.948 14.2-147.1-119.8 128.7 29.9 14.6 8.6 40 41 A N - 0 0 3 5,-1.9 21,-0.1 -2,-0.4 22,-0.1 -0.757 6.8-157.0 -91.8 141.0 29.0 12.2 11.4 41 42 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 20,-0.3 92,-0.1 0.872 83.1 55.3 -90.0 -42.0 25.9 10.0 10.8 42 43 A S S S+ 0 0 61 90,-0.5 2,-0.1 19,-0.1 91,-0.1 0.929 124.5 20.2 -60.9 -49.3 24.6 8.9 14.2 43 44 A N S S- 0 0 27 89,-0.3 89,-0.0 2,-0.1 -4,-0.0 -0.284 87.3-118.1 -97.0-166.6 24.4 12.5 15.3 44 45 A K + 0 0 200 -2,-0.1 2,-0.1 2,-0.1 -3,-0.1 0.226 62.6 137.1-120.2 12.1 24.2 15.5 13.0 45 46 A K - 0 0 77 -6,-0.1 -5,-1.9 1,-0.0 2,-0.3 -0.394 34.3-165.4 -66.1 131.4 27.5 17.2 14.1 46 47 A E E -M 39 0C 98 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.872 11.6-165.5-122.8 151.6 29.6 18.5 11.2 47 48 A L E -M 38 0C 11 -9,-2.7 -9,-3.7 -2,-0.3 2,-0.5 -0.979 3.7-165.6-140.9 125.4 33.2 19.7 10.8 48 49 A T E -M 37 0C 51 -2,-0.4 2,-0.2 -11,-0.2 -11,-0.2 -0.954 26.7-126.8-110.7 121.5 34.8 21.6 7.9 49 50 A T - 0 0 2 -13,-2.1 -14,-1.9 -2,-0.5 -13,-0.2 -0.460 20.8-173.4 -70.3 128.8 38.6 21.6 7.9 50 51 A K S S+ 0 0 119 60,-2.2 2,-0.3 -2,-0.2 61,-0.2 0.846 78.5 35.4 -81.5 -41.0 40.3 25.0 7.8 51 52 A Y S S- 0 0 24 59,-1.5 -1,-0.2 58,-0.1 -15,-0.1 -0.865 93.8-102.7-115.9 147.3 43.7 23.4 7.5 52 53 A A - 0 0 0 -2,-0.3 20,-1.7 -3,-0.1 2,-0.3 -0.409 42.1-152.3 -64.2 143.0 44.9 20.3 5.7 53 54 A V E -FH 32 71B 0 -21,-3.0 -21,-2.9 18,-0.2 2,-0.3 -0.932 18.0-178.4-128.0 142.1 45.5 17.4 8.1 54 55 A L E +FH 31 70B 0 16,-2.9 16,-3.1 -2,-0.3 2,-0.3 -0.975 29.6 102.4-142.1 127.1 47.7 14.3 8.1 55 56 A G E -FH 30 69B 0 -25,-1.9 -25,-3.5 -2,-0.3 2,-0.5 -0.985 65.5 -61.8-175.9-176.1 47.9 11.6 10.8 56 57 A X E +FH 29 68B 0 12,-2.0 11,-3.1 -2,-0.3 12,-1.5 -0.789 69.6 114.0 -89.8 128.9 47.2 8.1 12.0 57 58 A G E -FH 28 66B 0 -29,-2.3 -29,-2.3 -2,-0.5 2,-0.3 -0.872 52.1-103.6-164.1-162.4 43.5 7.3 12.5 58 59 A T E - H 0 65B 19 7,-2.5 7,-2.2 -2,-0.3 2,-0.8 -0.978 20.3-122.8-142.1 153.6 40.6 5.2 11.3 59 60 A I E - H 0 64B 70 -33,-0.4 2,-0.6 -2,-0.3 3,-0.2 -0.880 33.0-179.1 -98.3 106.5 37.5 5.8 9.2 60 61 A F E > S- H 0 63B 78 3,-2.8 3,-1.2 -2,-0.8 -2,-0.0 -0.944 74.3 -13.2-113.5 112.7 34.5 4.8 11.4 61 62 A D T 3 S- 0 0 65 -2,-0.6 -20,-0.3 1,-0.3 -1,-0.2 0.863 127.9 -58.3 61.4 40.6 31.1 5.1 9.6 62 63 A D T 3 S+ 0 0 125 -3,-0.2 -1,-0.3 1,-0.2 -23,-0.2 0.403 119.2 114.9 69.9 0.3 32.8 7.1 6.8 63 64 A Y E < -H 60 0B 6 -3,-1.2 -3,-2.8 -25,-0.1 2,-0.3 -0.882 64.7-130.0-106.4 127.3 33.9 9.6 9.5 64 65 A P E +H 59 0B 2 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.539 25.2 177.7 -79.9 134.8 37.6 10.1 10.4 65 66 A T E -H 58 0B 27 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.3 -0.996 19.0-138.7-134.8 139.0 38.9 9.9 14.0 66 67 A F E -H 57 0B 17 36,-0.4 -9,-0.3 -2,-0.3 39,-0.2 -0.718 28.0-170.6-112.2 147.8 42.6 10.3 14.9 67 68 A A E S- 0 0 12 -11,-3.1 12,-3.0 1,-0.4 2,-0.3 0.795 87.8 -20.4 -90.2 -42.5 45.1 8.7 17.3 68 69 A D E S+HI 56 78B 0 -12,-1.5 -12,-2.0 10,-0.3 -1,-0.4 -0.951 76.5 144.8-162.3 155.1 47.7 11.4 16.4 69 70 A G E -HI 55 77B 0 8,-2.5 8,-2.6 -2,-0.3 -14,-0.3 -0.991 28.5-126.4-177.9 177.7 48.4 13.9 13.6 70 71 A X E -HI 54 76B 0 -16,-3.1 -16,-2.9 -2,-0.3 2,-0.3 -0.867 14.1-138.1-136.2 163.9 49.5 17.2 12.2 71 72 A N E > -H 53 0B 0 4,-1.7 3,-1.8 -2,-0.3 -18,-0.2 -0.776 37.2 -97.1-119.2 174.4 48.3 20.0 10.1 72 73 A E T 3 S+ 0 0 51 -20,-1.7 -19,-0.1 1,-0.3 41,-0.1 0.636 118.8 61.1 -62.8 -17.2 49.8 22.2 7.3 73 74 A K T 3 S- 0 0 105 -21,-0.2 75,-0.3 39,-0.2 -1,-0.3 0.454 121.2-101.0 -92.2 -2.5 50.7 24.9 9.8 74 75 A G S < S+ 0 0 0 -3,-1.8 2,-0.5 1,-0.3 74,-0.2 0.668 74.2 141.9 91.0 19.3 53.0 22.7 11.9 75 76 A L - 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0 0 21 -4,-0.6 72,-0.2 72,-0.1 2,-0.2 -0.427 49.9-177.9 -77.0 153.6 39.4 11.5 33.4 87 88 A S - 0 0 38 70,-1.7 2,-0.3 71,-0.1 40,-0.1 -0.733 3.1-171.1-156.9 106.4 35.8 12.7 33.5 88 89 A Y - 0 0 33 -2,-0.2 40,-0.2 1,-0.1 2,-0.1 -0.662 30.0-108.5 -93.4 151.3 33.7 13.8 30.6 89 90 A S B -n 128 0D 21 38,-1.4 40,-3.0 -2,-0.3 -1,-0.1 -0.472 17.7-137.1 -71.9 149.3 30.3 15.5 30.7 90 91 A K S S+ 0 0 165 38,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.864 85.4 17.7 -75.0 -39.4 27.3 13.4 29.7 91 92 A E S S- 0 0 132 1,-0.1 38,-0.1 39,-0.1 2,-0.1 -0.793 101.1 -72.3-125.6 169.6 25.7 16.2 27.7 92 93 A D - 0 0 79 -2,-0.3 2,-0.6 36,-0.1 -2,-0.1 -0.382 46.8-129.5 -58.8 135.8 26.8 19.6 26.2 93 94 A I > - 0 0 67 33,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.840 26.0-114.3 -93.4 123.0 27.4 22.3 28.9 94 95 A E T 3 S+ 0 0 187 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.293 98.1 19.1 -57.1 129.8 25.6 25.5 28.2 95 96 A G T 3 S+ 0 0 50 1,-0.3 2,-0.3 -2,-0.0 -1,-0.2 0.397 106.9 99.8 90.8 -1.1 27.9 28.5 27.5 96 97 A K S < S- 0 0 82 -3,-1.8 2,-1.0 30,-0.0 -1,-0.3 -0.812 82.8-106.9-116.8 155.9 30.9 26.3 26.6 97 98 A T E -o 125 0D 60 27,-3.1 29,-2.6 -2,-0.3 2,-0.6 -0.733 43.5-153.0 -78.0 103.5 32.6 25.1 23.4 98 99 A N E -o 126 0D 43 -2,-1.0 29,-0.2 27,-0.2 -6,-0.1 -0.732 16.4-178.4 -92.6 118.6 31.5 21.4 23.5 99 100 A I E -o 127 0D 2 27,-2.9 29,-2.4 -2,-0.6 5,-0.1 -0.960 25.8-126.1-119.6 122.2 33.7 18.9 21.8 100 101 A P E >> -o 128 0D 9 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.433 25.0-120.5 -64.3 140.3 33.0 15.2 21.5 101 102 A V G >4 S+ 0 0 2 27,-2.1 3,-1.2 1,-0.3 4,-0.4 0.890 111.7 51.0 -46.1 -53.8 35.8 12.9 22.8 102 103 A Y G 34 S+ 0 0 16 28,-0.4 -36,-0.4 1,-0.2 -1,-0.3 0.684 114.3 45.6 -60.7 -21.1 36.3 11.1 19.5 103 104 A N G <> S+ 0 0 16 -3,-1.6 4,-2.8 1,-0.1 -1,-0.2 0.500 83.2 94.4-102.8 -7.2 36.5 14.4 17.6 104 105 A F H S+ 0 0 3 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.936 115.5 42.3 -62.2 -48.9 42.1 15.6 18.0 106 107 A L H > S+ 0 0 0 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.886 109.8 59.4 -63.2 -39.4 40.6 16.6 14.6 107 108 A W H X S+ 0 0 30 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.882 108.7 44.9 -56.5 -41.5 39.0 19.6 16.2 108 109 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.959 118.6 40.6 -64.6 -53.2 42.4 20.9 17.2 109 110 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 115.1 50.0 -70.5 -34.6 44.2 20.2 13.9 110 111 A A H < S+ 0 0 0 -4,-3.0 -60,-2.2 -5,-0.2 -59,-1.5 0.796 121.1 30.9 -74.6 -29.3 41.3 21.3 11.6 111 112 A N H < S+ 0 0 52 -4,-1.1 2,-0.3 -5,-0.3 -2,-0.2 0.748 108.0 58.1-105.0 -29.8 40.8 24.7 13.2 112 113 A F < - 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