==== 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 04-MAY-09 3HBC . COMPND 2 MOLECULE: CHOLOYLGLYCINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.KIM,L.BIGELOW,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 309 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 1.3 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-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 . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 16.2 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 2 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 3 2 2 4 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 0 0 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 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 23 A S 0 0 135 0, 0.0 246,-0.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 146.2 3.9 20.6 114.9 2 24 A N - 0 0 40 244,-0.1 2,-0.3 23,-0.1 22,-0.2 -0.435 360.0-164.1 -81.1 160.5 6.4 18.0 113.8 3 25 A A B +A 23 0A 6 20,-1.1 20,-1.5 -2,-0.1 2,-0.3 -0.958 16.4 157.9-149.0 122.9 10.0 17.8 114.9 4 26 A C - 0 0 0 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.993 16.0-164.3-143.2 143.6 12.9 15.9 113.5 5 27 A T - 0 0 0 16,-0.4 16,-2.9 -2,-0.3 2,-0.4 -0.978 3.8-173.7-128.7 145.7 16.6 16.4 113.8 6 28 A R E +BC 20 169A 2 163,-2.3 163,-2.5 -2,-0.4 2,-0.4 -1.000 5.9 176.7-137.8 138.4 19.4 15.0 111.7 7 29 A A E -BC 19 168A 0 12,-2.4 12,-3.0 -2,-0.4 2,-0.6 -0.979 18.4-147.0-147.8 128.9 23.1 15.4 112.3 8 30 A V E -B 18 0A 0 159,-3.0 2,-0.6 -2,-0.4 10,-0.2 -0.866 10.6-151.1-101.1 119.6 26.2 14.0 110.6 9 31 A Y E -B 17 0A 0 8,-3.5 8,-2.1 -2,-0.6 2,-0.7 -0.779 7.9-162.4 -83.9 121.3 29.3 13.3 112.6 10 32 A L E +B 16 0A 44 -2,-0.6 6,-0.2 201,-0.2 -2,-0.0 -0.903 22.0 167.6-106.6 104.4 32.5 13.6 110.6 11 33 A G - 0 0 18 4,-3.1 3,-0.4 -2,-0.7 207,-0.1 -0.306 38.7 -66.8-104.2-171.1 35.4 11.9 112.4 12 34 A P S > S+ 0 0 47 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.350 109.0 19.4 -71.9 155.5 38.9 10.7 111.6 13 35 A D T 3 S- 0 0 108 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.879 135.5 -53.6 49.9 52.2 39.7 8.0 109.0 14 36 A R T 3 S+ 0 0 195 -3,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.628 84.9 160.8 63.7 16.0 36.4 8.2 107.2 15 37 A X < + 0 0 1 -3,-1.5 -4,-3.1 -4,-0.1 2,-0.4 -0.612 11.7 172.0 -68.1 111.3 34.3 7.7 110.3 16 38 A V E +B 10 0A 5 -2,-0.7 241,-2.7 -6,-0.2 242,-0.6 -0.984 5.5 173.7-128.8 118.0 30.9 9.0 109.1 17 39 A V E -BD 9 256A 0 -8,-2.1 -8,-3.5 -2,-0.4 2,-0.6 -0.983 13.8-159.6-132.6 124.5 27.9 8.6 111.4 18 40 A T E -BD 8 255A 2 237,-2.5 237,-3.0 -2,-0.4 2,-0.3 -0.892 6.6-166.0-108.3 119.3 24.5 10.0 110.8 19 41 A G E +BD 7 254A 0 -12,-3.0 -12,-2.4 -2,-0.6 2,-0.3 -0.754 8.6 179.7 -99.6 150.3 22.0 10.5 113.6 20 42 A R E -BD 6 253A 2 233,-2.4 233,-2.5 -2,-0.3 2,-0.3 -0.988 13.5-156.8-151.5 135.0 18.3 11.2 113.2 21 43 A T E - D 0 252A 0 -16,-2.9 2,-0.5 -2,-0.3 -16,-0.4 -0.829 6.0-154.0-106.8 154.1 15.3 11.7 115.4 22 44 A X E + D 0 251A 5 229,-2.4 228,-2.8 -2,-0.3 229,-1.5 -0.963 17.2 174.0-128.0 111.8 11.6 11.1 114.6 23 45 A D E +AD 3 249A 0 -20,-1.5 -20,-1.1 -2,-0.5 2,-0.3 -0.967 11.4 156.9-115.7 132.7 9.1 13.2 116.5 24 46 A W E D 0 248A 106 224,-1.3 224,-0.7 -2,-0.4 -22,-0.1 -0.969 360.0 360.0-148.0 160.9 5.4 13.0 115.6 25 47 A K 0 0 100 -2,-0.3 222,-0.2 222,-0.2 221,-0.2 0.642 360.0 360.0 42.0 360.0 1.9 13.6 117.0 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 50 A I 0 0 25 0, 0.0 36,-0.8 0, 0.0 37,-0.3 0.000 360.0 360.0 360.0 -15.3 4.1 7.1 113.9 28 51 A X - 0 0 99 34,-0.2 266,-0.2 1,-0.2 2,-0.1 0.819 360.0-179.9 64.2 33.7 3.6 3.4 113.2 29 52 A S + 0 0 6 33,-0.2 2,-0.3 264,-0.1 264,-0.2 -0.426 10.0 176.8 -71.2 136.8 7.2 2.9 112.0 30 53 A N E -H 61 0B 19 31,-2.0 31,-2.3 -2,-0.1 2,-0.4 -0.950 24.0-125.3-130.0 160.2 8.5 -0.5 110.8 31 54 A I E -HI 60 291B 0 260,-2.0 260,-2.8 -2,-0.3 2,-0.4 -0.856 24.1-170.6-108.6 141.0 11.8 -1.5 109.4 32 55 A Y E -HI 59 290B 47 27,-2.6 27,-2.3 -2,-0.4 2,-0.5 -0.987 16.6-150.0-133.8 137.9 12.3 -3.3 106.0 33 56 A V E -HI 58 289B 5 256,-2.5 256,-1.7 -2,-0.4 25,-0.2 -0.932 18.1-164.5-104.3 125.3 15.3 -4.9 104.3 34 57 A F E -H 57 0B 16 23,-2.8 23,-1.6 -2,-0.5 254,-0.1 -0.933 11.7-140.8-117.6 112.5 15.1 -4.7 100.5 35 58 A P - 0 0 5 0, 0.0 3,-0.4 0, 0.0 248,-0.2 -0.256 32.5-105.2 -59.2 156.6 17.3 -6.9 98.4 36 59 A R S S+ 0 0 81 246,-2.8 18,-0.2 1,-0.2 3,-0.1 -0.113 98.7 53.4 -76.2-180.0 18.7 -5.1 95.3 37 60 A G S S+ 0 0 40 16,-4.2 -1,-0.2 1,-0.2 17,-0.1 0.675 77.7 151.3 64.7 16.7 17.5 -5.7 91.7 38 61 A X - 0 0 39 -3,-0.4 15,-3.0 15,-0.3 2,-0.5 -0.439 43.9-125.6 -77.6 156.5 14.0 -4.9 93.0 39 62 A Q E +P 52 0C 166 13,-0.3 2,-0.3 -2,-0.1 13,-0.2 -0.908 36.0 166.1-117.5 121.0 11.5 -3.4 90.6 40 63 A R E -P 51 0C 28 11,-2.9 11,-2.6 -2,-0.5 2,-0.3 -0.926 24.6-154.7-139.0 154.1 9.7 -0.1 91.4 41 64 A A E -P 50 0C 45 -2,-0.3 9,-0.2 9,-0.2 65,-0.0 -0.959 23.4-130.5-126.6 147.9 7.6 2.7 89.9 42 65 A G S S+ 0 0 3 7,-2.4 57,-3.1 -2,-0.3 2,-0.3 0.598 84.6 16.8 -73.7 -13.7 7.3 6.3 91.2 43 66 A H - 0 0 28 6,-0.2 5,-0.1 55,-0.2 -1,-0.1 -0.995 51.6-147.1-158.2 157.4 3.5 6.5 91.2 44 67 A N S S+ 0 0 142 -2,-0.3 -1,-0.1 3,-0.1 3,-0.0 0.620 100.0 14.6-104.2 -16.0 0.4 4.4 91.1 45 68 A K S S+ 0 0 163 2,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.681 112.4 69.0-121.7 -50.8 -1.9 6.7 89.2 46 69 A E S S- 0 0 91 1,-0.1 2,-0.3 -4,-0.1 -3,-0.1 -0.160 95.6 -87.4 -71.6 163.6 0.2 9.5 87.6 47 70 A K + 0 0 134 48,-0.1 50,-3.3 1,-0.1 -1,-0.1 -0.597 66.0 166.0 -67.4 129.5 2.6 9.1 84.8 48 71 A T - 0 0 31 -2,-0.3 2,-0.3 48,-0.3 50,-0.1 -0.284 36.7 -96.6-124.1-155.3 5.9 8.2 86.4 49 72 A V - 0 0 30 48,-0.3 -7,-2.4 -2,-0.1 2,-0.3 -0.944 32.3-145.9-130.8 152.5 9.4 6.9 86.0 50 73 A N E +P 41 0C 116 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.850 19.8 167.9-118.7 156.4 10.5 3.3 86.6 51 74 A W E -P 40 0C 26 -11,-2.6 -11,-2.9 -2,-0.3 2,-0.4 -0.988 30.7-135.0-157.5 161.5 13.6 1.7 87.9 52 75 A T E -P 39 0C 85 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.3 -0.998 44.3-107.4-120.2 130.9 15.1 -1.5 89.2 53 76 A S - 0 0 2 -15,-3.0 -16,-4.2 -2,-0.4 -15,-0.3 -0.361 25.8-169.0 -72.4 120.9 17.2 -1.0 92.3 54 77 A K S S+ 0 0 123 55,-1.2 2,-0.4 -2,-0.3 56,-0.2 0.825 75.3 41.9 -71.5 -32.8 21.0 -1.2 92.0 55 78 A Y S S- 0 0 41 54,-2.1 -17,-0.1 -20,-0.1 -1,-0.1 -0.930 76.6-130.7-121.9 142.6 21.6 -1.3 95.8 56 79 A G - 0 0 0 -2,-0.4 17,-2.0 -20,-0.1 2,-0.3 -0.316 33.5-171.5 -75.0 171.7 19.8 -3.0 98.6 57 80 A S E -HJ 34 72B 0 -23,-1.6 -23,-2.8 15,-0.3 2,-0.4 -0.993 29.5-132.4-165.2 153.0 18.9 -1.0 101.6 58 81 A V E +HJ 33 71B 0 13,-2.8 13,-2.4 -2,-0.3 2,-0.3 -0.985 40.3 172.5-114.6 130.2 17.5 -1.0 105.2 59 82 A I E -HJ 32 70B 0 -27,-2.3 -27,-2.6 -2,-0.4 2,-0.4 -0.946 29.8-135.8-141.6 155.6 14.7 1.6 105.7 60 83 A A E -HJ 31 69B 0 9,-3.0 8,-2.3 -2,-0.3 9,-0.9 -0.915 25.4-171.9-112.5 143.7 12.2 2.8 108.2 61 84 A T E -HJ 30 67B 23 -31,-2.3 -31,-2.0 -2,-0.4 6,-0.2 -0.992 17.1-144.3-142.9 130.2 8.6 3.6 107.1 62 85 A G E >> - J 0 66B 4 4,-1.3 4,-1.9 -2,-0.4 3,-0.6 -0.553 33.2-112.4 -82.1 155.8 5.5 5.1 108.7 63 86 A Y T 34 S+ 0 0 196 -36,-0.8 -35,-0.1 1,-0.2 -1,-0.1 0.911 114.4 22.8 -51.1 -49.7 2.0 3.8 107.8 64 87 A D T 34 S+ 0 0 142 -37,-0.3 -1,-0.2 1,-0.1 -36,-0.1 0.264 124.3 52.7-107.9 9.4 1.0 6.9 106.0 65 88 A I T <4 S- 0 0 41 -3,-0.6 2,-0.2 1,-0.2 -2,-0.2 0.674 83.9-152.2-116.6 -27.8 4.3 8.4 105.1 66 89 A G E < +J 62 0B 21 -4,-1.9 -4,-1.3 36,-0.1 2,-0.5 -0.566 62.2 3.5 83.5-149.8 6.2 5.6 103.3 67 90 A T E +J 61 0B 9 34,-1.9 37,-0.4 -6,-0.2 -6,-0.2 -0.586 64.5 158.4 -77.1 119.0 10.0 5.4 103.4 68 91 A C E + 0 0 2 -8,-2.3 12,-2.1 -2,-0.5 2,-0.3 0.353 61.7 16.1-123.8 3.6 11.3 8.2 105.5 69 92 A D E +JK 60 79B 1 -9,-0.9 -9,-3.0 10,-0.2 -1,-0.3 -0.868 67.9 129.8-173.9 138.1 14.8 7.0 106.5 70 93 A G E -JK 59 78B 0 8,-1.7 8,-2.3 -11,-0.3 2,-0.4 -0.976 36.9-126.3-179.3 169.7 17.4 4.5 105.4 71 94 A X E -JK 58 77B 0 -13,-2.4 -13,-2.8 -2,-0.3 6,-0.2 -0.992 22.2-147.3-128.4 138.8 20.9 3.4 104.5 72 95 A N E > -J 57 0B 0 4,-2.2 3,-2.4 -2,-0.4 -15,-0.3 -0.528 37.1 -94.7 -99.5 174.1 21.8 1.5 101.3 73 96 A E T 3 S+ 0 0 42 -17,-2.0 -16,-0.1 1,-0.3 39,-0.1 0.654 124.5 60.7 -70.4 -12.2 24.7 -1.1 101.0 74 97 A K T 3 S- 0 0 95 -18,-0.3 70,-0.5 37,-0.2 -1,-0.3 0.249 121.5-110.6 -87.7 10.6 27.1 1.6 99.7 75 98 A G < + 0 0 0 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.706 66.6 152.5 67.5 22.1 26.5 3.2 103.1 76 99 A L - 0 0 0 35,-0.2 -4,-2.2 67,-0.1 2,-0.4 -0.677 31.0-151.4 -84.1 136.4 24.5 6.1 101.6 77 100 A V E -KL 71 142B 1 65,-2.9 65,-2.5 -2,-0.3 2,-0.4 -0.924 14.0-176.4-116.4 132.9 22.0 7.6 104.0 78 101 A A E -KL 70 141B 0 -8,-2.3 -8,-1.7 -2,-0.4 2,-0.4 -0.992 3.3-176.6-130.8 135.5 18.8 9.4 103.0 79 102 A S E -KL 69 140B 0 61,-1.9 61,-2.1 -2,-0.4 2,-0.7 -0.995 15.6-153.4-139.3 130.5 16.4 11.0 105.4 80 103 A L E + L 0 139B 2 -12,-2.1 2,-0.3 -2,-0.4 59,-0.2 -0.919 23.7 174.5-107.9 113.3 13.0 12.7 104.8 81 104 A L E - L 0 138B 0 57,-2.5 57,-3.1 -2,-0.7 89,-0.1 -0.884 35.9 -89.7-117.5 151.9 12.2 15.4 107.4 82 105 A F E + L 0 137B 29 -2,-0.3 55,-0.3 55,-0.2 -78,-0.2 -0.264 38.0 169.9 -60.9 136.2 9.3 17.8 107.6 83 106 A L > - 0 0 0 53,-2.7 3,-2.2 88,-0.1 88,-0.1 -0.717 15.1-164.8-144.1 93.7 9.5 21.2 106.0 84 107 A P T 3 S+ 0 0 76 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 0.727 84.5 57.2 -55.8 -33.8 6.0 22.8 106.1 85 108 A E T 3 S+ 0 0 62 51,-0.1 70,-0.5 2,-0.0 52,-0.1 0.345 77.8 131.6 -79.8 7.1 6.7 25.6 103.6 86 109 A S < - 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