==== 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 13-MAR-09 3GM8 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 2, CANDIDATE BETA-GLYC . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS; . AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,M.IIZUKA,S.OZYURT,S.WASSERMAN, . 770 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 197 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 3 0.4 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 . 66 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 1 0 0 0 1 0 3 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 2 4 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 . 8 1 2 6 3 6 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 6 3 1 1 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 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 20 A G 0 0 70 0, 0.0 2,-0.3 0, 0.0 155,-0.3 0.000 360.0 360.0 360.0 170.8 13.3 101.1 67.1 2 21 A E E -A 155 0A 96 153,-3.4 153,-2.7 2,-0.0 2,-0.6 -0.986 360.0-125.9-161.2 157.5 14.7 102.8 70.3 3 22 A T E -A 154 0A 98 -2,-0.3 2,-0.5 151,-0.2 151,-0.2 -0.914 30.3-160.1-100.2 117.5 17.8 104.3 72.1 4 23 A I E -A 153 0A 45 149,-2.8 149,-2.3 -2,-0.6 2,-0.3 -0.897 18.4-126.9-105.5 122.9 18.3 102.7 75.6 5 24 A N E -A 152 0A 99 -2,-0.5 147,-0.2 147,-0.2 3,-0.1 -0.544 28.2-179.3 -62.0 124.6 20.3 104.4 78.3 6 25 A F + 0 0 9 145,-2.4 146,-0.1 -2,-0.3 -1,-0.1 -0.089 49.7 99.2-122.5 31.9 22.8 101.8 79.3 7 26 A C + 0 0 11 144,-0.1 29,-2.3 28,-0.1 3,-0.4 0.779 57.5 94.7 -86.5 -30.6 24.8 103.6 82.1 8 27 A K S S+ 0 0 132 27,-0.2 27,-0.2 1,-0.2 26,-0.0 -0.431 85.6 1.9 -79.6 131.4 23.1 102.3 85.2 9 28 A G S S+ 0 0 37 -2,-0.2 2,-0.2 1,-0.2 26,-0.2 0.957 70.1 162.1 70.9 58.5 24.4 99.4 87.3 10 29 A W E -D 34 0B 1 24,-2.6 24,-2.2 -3,-0.4 2,-0.3 -0.639 36.0-123.1 -90.9 162.4 27.6 98.1 85.9 11 30 A K E -DE 33 68B 54 57,-2.8 57,-1.9 -2,-0.2 2,-0.3 -0.863 29.0-165.1-102.2 146.2 30.0 95.9 87.8 12 31 A F E -DE 32 67B 6 20,-2.3 20,-1.3 -2,-0.3 2,-0.4 -0.977 14.8-169.5-137.4 144.3 33.7 97.1 88.1 13 32 A H E - E 0 66B 54 53,-1.8 53,-1.7 -2,-0.3 4,-0.2 -0.924 18.6-143.0-138.0 105.3 36.9 95.5 89.1 14 33 A L E S+ E 0 65B 115 -2,-0.4 51,-0.2 51,-0.2 49,-0.1 -0.502 74.9 20.9 -65.6 135.7 39.9 97.7 89.7 15 34 A G S S- 0 0 30 49,-0.8 2,-0.6 -2,-0.2 51,-0.3 0.032 111.4 -47.5 82.4 164.5 43.0 95.8 88.4 16 35 A D - 0 0 87 1,-0.1 3,-0.1 49,-0.1 49,-0.1 -0.584 41.9-170.0 -78.4 111.0 43.2 93.0 85.9 17 36 A A - 0 0 22 -2,-0.6 3,-0.2 -4,-0.2 4,-0.1 0.409 44.2-119.6 -81.6 0.3 40.7 90.2 86.6 18 37 A G > - 0 0 27 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 0.062 39.1 -52.9 85.3 167.3 42.4 87.9 84.1 19 38 A K G > S+ 0 0 90 1,-0.3 3,-1.7 2,-0.1 4,-0.3 0.820 125.9 64.8 -44.3 -43.7 41.3 86.1 80.9 20 39 A G G > S+ 0 0 40 1,-0.3 3,-1.5 -3,-0.2 6,-0.3 0.725 79.0 81.9 -61.4 -23.2 38.3 84.5 82.5 21 40 A A G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.543 84.2 62.2 -63.5 -7.3 36.6 87.8 83.1 22 41 A S G < S+ 0 0 23 -3,-1.7 77,-0.6 -4,-0.1 -1,-0.2 0.741 86.5 90.4 -84.6 -24.5 35.3 87.9 79.4 23 42 A S S < S- 0 0 44 -3,-1.5 3,-0.3 -4,-0.3 76,-0.1 -0.147 80.8-118.6 -76.5 166.2 33.1 84.8 79.6 24 43 A S S S+ 0 0 48 1,-0.2 -1,-0.1 74,-0.2 103,-0.1 0.894 107.2 52.3 -61.2 -44.2 29.5 84.4 80.5 25 44 A S S S+ 0 0 117 2,-0.1 -1,-0.2 73,-0.1 -4,-0.1 0.622 76.9 124.8 -81.4 -17.5 30.0 82.1 83.5 26 45 A Y - 0 0 62 -6,-0.3 2,-0.8 -3,-0.3 -5,-0.0 -0.053 63.8-122.6 -50.1 144.1 32.5 84.2 85.4 27 46 A N + 0 0 97 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.844 40.7 161.0 -98.3 104.6 31.6 85.1 88.9 28 47 A D > + 0 0 19 -2,-0.8 3,-2.1 1,-0.1 -1,-0.1 0.115 40.0 113.2-107.3 12.9 31.6 88.9 89.3 29 48 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -18,-0.1 -2,-0.0 0.654 75.4 55.2 -65.8 -16.9 29.4 88.9 92.5 30 49 A Q T 3 S+ 0 0 177 -3,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.451 90.4 107.5 -87.2 -3.9 32.4 90.2 94.5 31 50 A W S < S- 0 0 24 -3,-2.1 -18,-0.2 1,-0.1 2,-0.1 -0.428 78.4-100.4 -75.8 150.3 32.8 93.2 92.2 32 51 A R E -D 12 0B 113 -20,-1.3 -20,-2.3 -2,-0.1 2,-0.5 -0.371 31.1-136.5 -58.2 141.5 31.8 96.8 93.0 33 52 A I E +D 11 0B 124 -22,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.918 39.8 144.7-104.9 127.1 28.5 98.1 91.6 34 53 A L E -D 10 0B 14 -24,-2.2 -24,-2.6 -2,-0.5 2,-0.4 -0.902 43.6-111.1-147.9 173.4 28.5 101.6 90.0 35 54 A N - 0 0 82 -2,-0.3 -27,-0.2 -26,-0.2 -28,-0.1 -0.890 43.4-102.0-108.6 144.6 27.0 103.8 87.3 36 55 A I S S+ 0 0 6 -29,-2.3 2,-0.2 -2,-0.4 112,-0.1 -0.693 88.6 78.8 -95.0 161.1 28.9 105.1 84.3 37 56 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 111,-0.3 0.510 75.3 162.7 -61.1 147.4 30.3 107.6 83.2 38 57 A H - 0 0 9 109,-1.2 2,-0.4 -2,-0.2 111,-0.1 -0.989 35.2-166.8-153.9 131.7 33.2 106.7 85.5 39 58 A D > - 0 0 3 -2,-0.3 3,-0.7 257,-0.1 107,-0.2 -0.940 6.4-169.9-118.6 100.3 36.9 107.6 85.7 40 59 A W G > S+ 0 0 5 105,-1.6 3,-1.1 -2,-0.4 4,-0.1 0.776 81.3 65.7 -66.2 -20.7 38.6 105.2 88.1 41 60 A S G > S+ 0 0 4 104,-0.6 3,-1.3 1,-0.3 -1,-0.2 0.848 93.8 55.3 -70.6 -35.6 41.7 107.3 88.1 42 61 A I G < S+ 0 0 9 -3,-0.7 688,-0.3 1,-0.3 -1,-0.3 0.438 101.7 63.3 -78.0 -0.3 40.1 110.3 89.8 43 62 A E G < S+ 0 0 66 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.428 95.2 74.1 -99.8 -3.7 39.1 107.9 92.6 44 63 A G S < S- 0 0 27 -3,-1.3 2,-0.5 -4,-0.1 686,-0.2 -0.112 83.2 -79.8-105.9-158.8 42.6 107.0 93.7 45 64 A T - 0 0 89 684,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.850 35.1-114.7-114.1 130.5 45.6 108.3 95.5 46 65 A Y + 0 0 23 -2,-0.5 2,-0.3 14,-0.1 14,-0.2 -0.312 39.1 172.7 -54.2 132.4 48.3 110.7 94.4 47 66 A K - 0 0 83 12,-2.1 4,-0.2 1,-0.1 6,-0.1 -0.975 31.3-144.1-142.6 139.9 51.7 108.9 94.3 48 67 A Q S S- 0 0 78 -2,-0.3 11,-0.1 1,-0.1 505,-0.1 0.866 94.6 -8.7 -72.5 -35.7 54.9 110.5 93.0 49 68 A F S > S+ 0 0 159 10,-0.1 3,-1.0 5,-0.1 -1,-0.1 0.556 118.6 76.6-130.4 -26.4 56.3 107.2 91.5 50 69 A E T 3 S+ 0 0 161 1,-0.3 -2,-0.1 2,-0.1 -4,-0.0 0.688 88.9 57.9 -74.8 -25.0 54.2 104.3 92.7 51 70 A N T 3 S- 0 0 34 -4,-0.2 11,-0.6 2,-0.2 -1,-0.3 0.649 104.5-122.6 -80.0 -18.0 51.2 104.7 90.4 52 71 A G S < S+ 0 0 50 -3,-1.0 -2,-0.1 1,-0.4 84,-0.1 -0.007 78.1 108.5 99.4 -25.5 53.3 104.5 87.2 53 72 A T - 0 0 10 7,-0.3 -1,-0.4 -6,-0.1 -2,-0.2 -0.273 50.3-162.3 -87.5 167.5 52.2 107.9 86.0 54 73 A D >> - 0 0 46 82,-0.1 4,-1.8 -3,-0.1 5,-1.2 -0.458 43.1 -55.4-136.2-159.0 54.3 111.0 85.9 55 74 A W T 45S+ 0 0 55 1,-0.2 496,-2.5 2,-0.2 495,-0.3 0.838 131.8 42.7 -61.3 -35.4 54.4 114.8 85.7 56 75 A Q T 45S+ 0 0 31 494,-0.3 494,-1.6 493,-0.2 -1,-0.2 0.956 115.9 44.9 -71.9 -54.5 52.4 114.8 82.5 57 76 A S T 45S- 0 0 7 492,-0.2 3,-0.3 85,-0.1 86,-0.3 0.617 113.7-115.5 -72.6 -11.4 49.8 112.1 83.3 58 77 A G T <5 - 0 0 2 -4,-1.8 -3,-0.2 1,-0.2 491,-0.1 0.678 40.1 -87.8 90.6 20.7 49.2 113.7 86.8 59 78 A F S S+ 0 0 94 1,-0.2 3,-1.8 2,-0.1 4,-0.2 0.875 114.4 66.2 -75.5 -40.2 9.7 90.2 73.5 76 95 A K G > S+ 0 0 78 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.798 98.4 55.3 -47.8 -35.6 9.2 93.5 71.5 77 96 A W G 3 + 0 0 30 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.106 69.7 105.7 -92.1 22.9 12.8 93.2 70.3 78 97 A K G < S+ 0 0 93 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.909 89.1 41.4 -66.8 -34.9 12.7 89.7 68.8 79 98 A N S < S+ 0 0 74 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.751 101.4 106.5 -75.8 -24.3 12.7 91.3 65.3 80 99 A K - 0 0 59 -4,-0.2 2,-0.4 77,-0.1 77,-0.2 -0.033 66.3-132.3 -77.5 154.8 15.3 94.0 66.1 81 100 A K E -B 156 0A 28 75,-3.6 75,-2.7 37,-0.0 2,-0.4 -0.861 30.8-158.2 -89.7 138.7 19.0 94.6 65.4 82 101 A V E +B 155 0A 3 -2,-0.4 34,-2.7 73,-0.2 35,-1.3 -0.977 15.4 171.9-130.7 118.1 20.8 95.5 68.6 83 102 A Q E -BC 154 115A 26 71,-3.3 71,-2.6 -2,-0.4 2,-0.5 -0.840 26.7-129.7-121.7 165.1 24.0 97.5 68.9 84 103 A I E -BC 153 114A 0 30,-2.8 30,-1.6 -2,-0.3 2,-0.5 -0.967 16.5-158.4-117.4 121.3 26.1 99.0 71.7 85 104 A L E -BC 152 113A 10 67,-2.8 67,-2.6 -2,-0.5 2,-0.6 -0.882 5.9-172.0 -97.2 121.2 27.3 102.6 71.4 86 105 A F E -BC 151 112A 1 26,-2.6 26,-2.0 -2,-0.5 65,-0.2 -0.961 9.1-164.7-105.2 107.9 30.3 103.6 73.5 87 106 A E S S- 0 0 27 63,-2.0 2,-0.2 -2,-0.6 64,-0.1 0.731 73.9 -20.1 -65.7 -17.3 30.7 107.4 73.3 88 107 A G - 0 0 1 62,-0.4 61,-1.2 61,-0.3 2,-0.4 -0.689 50.2-173.7 169.9 140.4 34.2 106.8 74.7 89 108 A V - 0 0 1 21,-0.3 2,-0.7 18,-0.3 4,-0.4 -0.930 32.4-123.0-145.3 111.3 36.5 104.5 76.7 90 109 A Y B S-I 146 0C 6 56,-2.2 56,-2.8 -2,-0.4 43,-0.1 -0.855 74.4 -2.8 -99.0 108.6 40.0 105.5 77.7 91 110 A L S S- 0 0 12 -2,-0.7 41,-1.4 15,-0.3 -1,-0.2 0.776 106.5 -24.7-149.3-173.8 41.7 103.4 76.5 92 111 A N - 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