==== 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 21-MAR-08 3CMG . COMPND 2 MOLECULE: PUTATIVE BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR U.A.RAMAGOPAL,M.RUTTER,R.TORO,S.HU,M.MALETIC,T.GHEYI,J.M.SAU . 661 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 70 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 2 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 3 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 . 4 2 3 5 1 4 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 3 1 1 0 0 0 1 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 36 A S 0 0 67 0, 0.0 2,-0.3 0, 0.0 147,-0.3 0.000 360.0 360.0 360.0 19.3 -25.0 37.0 29.6 2 37 A L - 0 0 133 145,-0.1 2,-0.1 254,-0.1 254,-0.1 -0.667 360.0-104.8 -70.1 136.3 -22.7 34.5 31.3 3 38 A R - 0 0 51 -2,-0.3 2,-0.4 254,-0.1 144,-0.2 -0.432 38.2-149.1 -62.2 133.2 -20.0 33.5 28.8 4 39 A Q E -A 146 0A 83 142,-2.5 142,-2.8 -2,-0.1 2,-0.5 -0.905 14.8-168.5-111.3 143.6 -20.7 30.0 27.4 5 40 A D E -A 145 0A 103 -2,-0.4 2,-0.5 140,-0.2 140,-0.2 -0.924 12.3-172.4-130.1 103.9 -18.1 27.5 26.2 6 41 A I E -A 144 0A 51 138,-2.9 138,-2.9 -2,-0.5 2,-0.3 -0.873 19.0-134.4-108.8 119.0 -19.7 24.5 24.4 7 42 A L E -A 143 0A 91 -2,-0.5 136,-0.2 136,-0.2 3,-0.2 -0.538 16.7-172.4 -72.1 131.7 -17.5 21.5 23.4 8 43 A L + 0 0 13 134,-3.0 135,-0.1 -2,-0.3 -1,-0.1 -0.271 45.7 117.6-116.1 44.3 -18.2 20.4 19.8 9 44 A N + 0 0 9 19,-0.1 20,-2.8 133,-0.1 3,-0.3 0.703 48.4 93.9 -86.5 -20.5 -16.2 17.2 19.7 10 45 A N S S- 0 0 99 18,-0.2 18,-0.2 -3,-0.2 17,-0.0 -0.532 84.3 -6.8 -91.4 143.1 -18.8 14.5 19.1 11 46 A N + 0 0 72 -2,-0.2 2,-0.3 1,-0.2 17,-0.2 0.924 67.1 167.6 55.9 66.2 -20.2 12.9 16.0 12 47 A W E -D 27 0B 2 15,-2.9 15,-2.6 -3,-0.3 2,-0.6 -0.751 35.0-121.0 -97.9 155.2 -18.6 14.5 13.0 13 48 A N E -DE 26 53B 64 40,-2.9 40,-2.1 -2,-0.3 2,-0.4 -0.893 34.6-166.8-100.9 123.8 -18.8 13.1 9.5 14 49 A F E +DE 25 52B 11 11,-3.2 11,-2.2 -2,-0.6 2,-0.3 -0.841 20.1 151.4-115.3 139.7 -15.5 12.3 7.9 15 50 A R E - E 0 51B 53 36,-1.6 36,-3.0 -2,-0.4 2,-0.2 -0.948 39.1-117.3-150.8 153.8 -14.1 11.5 4.4 16 51 A F E > - E 0 50B 43 -2,-0.3 3,-1.3 34,-0.2 34,-0.2 -0.606 23.9-128.4 -75.2 145.9 -10.8 12.0 2.6 17 52 A S T 3 S+ 0 0 33 32,-1.9 -1,-0.1 1,-0.2 33,-0.1 0.742 108.8 68.4 -68.2 -21.0 -11.1 14.2 -0.5 18 53 A H T 3 S+ 0 0 116 31,-0.4 2,-1.0 1,-0.1 -1,-0.2 0.672 85.4 77.3 -69.6 -14.4 -9.2 11.3 -2.4 19 54 A Q S X S- 0 0 59 -3,-1.3 3,-0.7 1,-0.1 -1,-0.1 -0.800 70.7-175.1 -91.1 98.5 -12.4 9.4 -1.8 20 55 A V T 3 + 0 0 117 -2,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.689 60.8 79.2 -78.0 -15.7 -14.5 11.1 -4.6 21 56 A Q T 3 S- 0 0 139 1,-0.1 -1,-0.2 -3,-0.1 -4,-0.1 0.789 91.2-125.9 -66.4 -34.0 -17.9 9.5 -3.9 22 57 A G < + 0 0 42 -3,-0.7 -1,-0.1 1,-0.3 2,-0.1 0.328 59.0 138.1 104.0 -11.1 -19.1 11.6 -1.0 23 58 A D - 0 0 104 1,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.418 34.0-164.1 -65.3 147.3 -19.8 8.8 1.6 24 59 A T - 0 0 73 -2,-0.1 2,-0.3 -9,-0.1 -9,-0.2 -0.834 13.4-144.5-130.3 161.5 -18.7 9.6 5.1 25 60 A R E -D 14 0B 159 -11,-2.2 -11,-3.2 -2,-0.3 2,-0.2 -0.961 32.6-100.2-121.9 151.7 -18.1 7.8 8.4 26 61 A R E +D 13 0B 128 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.448 43.2 175.8 -61.5 134.0 -18.7 9.0 12.0 27 62 A V E -D 12 0B 2 -15,-2.6 -15,-2.9 -2,-0.2 2,-0.4 -0.941 17.7-147.3-131.1 164.0 -15.6 10.3 13.8 28 63 A D - 0 0 48 -2,-0.3 -18,-0.2 -17,-0.2 -19,-0.1 -0.994 34.3 -84.1-132.4 137.2 -15.2 11.9 17.3 29 64 A L S S+ 0 0 9 -20,-2.8 2,-0.1 -2,-0.4 110,-0.1 -0.507 102.1 57.8 -87.9 155.3 -12.6 14.5 18.2 30 65 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 109,-0.3 0.542 86.0 159.6 -65.9 144.1 -9.8 14.7 19.1 31 66 A H - 0 0 29 107,-2.5 2,-0.3 109,-0.2 109,-0.1 -1.000 28.7-179.7-143.0 137.5 -9.0 12.8 15.9 32 67 A T > - 0 0 7 -2,-0.3 3,-0.5 264,-0.1 105,-0.2 -0.976 20.8-150.1-127.7 148.1 -6.0 12.1 13.6 33 68 A W T 3 S+ 0 0 20 103,-1.4 4,-0.4 -2,-0.3 3,-0.2 0.348 92.8 67.3 -95.2 5.6 -6.3 10.0 10.4 34 69 A N T 3 > + 0 0 0 102,-0.5 5,-0.7 1,-0.1 4,-0.4 0.088 63.9 102.6-109.2 21.9 -2.6 9.0 10.8 35 70 A A T < 5S+ 0 0 10 -3,-0.5 262,-0.2 3,-0.1 260,-0.2 0.710 94.0 29.4 -79.1 -20.7 -2.9 6.9 14.0 36 71 A Q T >5S+ 0 0 142 -3,-0.2 4,-1.0 260,-0.1 -2,-0.1 0.823 123.3 42.0 -97.9 -52.5 -2.7 3.6 12.1 37 72 A D T >4>S+ 0 0 38 -4,-0.4 5,-1.7 1,-0.2 3,-1.0 0.969 119.2 39.3 -68.6 -52.0 -0.6 4.3 9.0 38 73 A A G >45S+ 0 0 0 -4,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.904 115.2 55.0 -64.3 -37.0 2.2 6.5 10.3 39 74 A L G 34 < - 0 0 105 -5,-1.7 3,-0.9 1,-0.2 -1,-0.2 -0.730 26.6-162.4 -83.1 112.8 4.5 3.6 6.6 43 78 A I T 3 S+ 0 0 120 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.819 86.3 49.2 -71.9 -27.9 6.9 6.3 5.4 44 79 A D T 3 S+ 0 0 116 491,-0.1 -1,-0.3 -3,-0.1 3,-0.1 -0.397 84.3 167.4-104.5 52.2 4.5 7.7 2.8 45 80 A Y < - 0 0 19 -3,-0.9 2,-0.3 -2,-0.3 -11,-0.1 -0.187 52.8 -65.6 -63.3 160.7 1.6 7.9 5.3 46 81 A K + 0 0 52 -13,-0.2 2,-0.5 1,-0.1 90,-0.3 -0.337 58.5 170.7 -61.4 114.8 -1.5 9.9 4.2 47 82 A R + 0 0 66 -2,-0.3 74,-0.3 -3,-0.1 2,-0.3 -0.937 42.9 67.0-125.7 103.7 -0.7 13.6 3.9 48 83 A G S S- 0 0 10 -2,-0.5 71,-2.0 72,-0.2 2,-0.4 -0.898 84.3 -20.9 175.3-152.0 -3.5 15.5 2.3 49 84 A I E + F 0 118B 50 -2,-0.3 -32,-1.9 69,-0.2 -31,-0.4 -0.718 40.9 178.2-100.7 127.7 -7.1 16.7 2.9 50 85 A G E -EF 16 117B 0 67,-2.6 67,-2.7 -2,-0.4 2,-0.4 -0.984 18.7-147.3-119.0 139.8 -9.6 15.1 5.3 51 86 A N E -EF 15 116B 7 -36,-3.0 -36,-1.6 -2,-0.4 2,-0.4 -0.902 12.1-172.1-116.1 132.6 -13.1 16.7 5.6 52 87 A Y E -EF 14 115B 0 63,-2.7 63,-2.8 -2,-0.4 2,-0.4 -0.974 7.1-178.6-124.7 129.2 -15.1 16.8 8.8 53 88 A E E +EF 13 114B 46 -40,-2.1 -40,-2.9 -2,-0.4 2,-0.3 -0.986 5.2 170.6-133.6 142.4 -18.7 18.0 8.8 54 89 A K E - F 0 113B 43 59,-2.4 59,-3.1 -2,-0.4 2,-0.4 -0.995 31.4-123.6-146.0 142.0 -21.3 18.5 11.6 55 90 A A E - F 0 112B 63 -2,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.773 26.9-164.4 -84.9 132.6 -24.7 20.0 11.9 56 91 A L E - F 0 111B 18 55,-3.1 55,-2.4 -2,-0.4 2,-0.5 -0.969 13.1-141.3-123.5 116.0 -24.9 22.7 14.6 57 92 A Y E - F 0 110B 95 -2,-0.5 2,-0.7 53,-0.3 53,-0.2 -0.670 14.3-149.4 -76.9 121.4 -28.2 23.9 15.8 58 93 A I - 0 0 0 51,-2.3 50,-2.9 -2,-0.5 51,-0.5 -0.854 20.7-128.2 -97.2 111.8 -28.0 27.7 16.4 59 94 A R > - 0 0 109 -2,-0.7 3,-2.5 48,-0.2 4,-0.3 -0.342 4.5-132.4 -69.6 137.5 -30.4 28.5 19.2 60 95 A P G > S+ 0 0 67 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.850 107.3 60.0 -56.7 -32.6 -32.9 31.3 18.7 61 96 A E G 3 S+ 0 0 115 1,-0.3 -2,-0.1 3,-0.1 46,-0.0 0.511 89.8 70.8 -76.2 -1.5 -32.0 32.8 22.0 62 97 A W G X S+ 0 0 21 -3,-2.5 3,-2.3 2,-0.1 -1,-0.3 0.565 70.6 110.3 -86.4 -8.4 -28.4 33.2 20.9 63 98 A K T < S+ 0 0 134 -3,-1.5 3,-0.1 -4,-0.3 39,-0.0 -0.492 79.5 30.8 -64.0 129.9 -29.5 36.0 18.6 64 99 A G T 3 S+ 0 0 43 1,-0.5 85,-0.4 -2,-0.2 -1,-0.3 0.303 107.0 91.8 96.1 -10.4 -28.1 39.2 20.0 65 100 A K S < S- 0 0 51 -3,-2.3 -1,-0.5 83,-0.1 2,-0.4 -0.582 80.6-110.5-101.1 173.3 -25.1 37.4 21.4 66 101 A R E -B 147 0A 1 81,-3.0 81,-2.4 -2,-0.2 2,-0.4 -0.888 29.0-157.8-107.3 145.0 -21.7 36.9 19.7 67 102 A L E +B 146 0A 0 -2,-0.4 34,-2.9 79,-0.2 35,-1.1 -0.968 11.2 179.4-128.9 132.3 -20.7 33.4 18.5 68 103 A F E -BC 145 100A 0 77,-2.3 77,-3.0 -2,-0.4 2,-0.6 -0.991 22.1-145.8-135.5 139.0 -17.1 32.1 17.8 69 104 A L E -BC 144 99A 1 30,-2.6 30,-1.8 -2,-0.4 2,-0.5 -0.953 23.7-169.3-100.6 120.6 -15.7 28.8 16.7 70 105 A R E -BC 143 98A 45 73,-2.6 73,-2.7 -2,-0.6 2,-0.5 -0.951 7.0-161.6-115.8 129.1 -12.4 28.2 18.4 71 106 A F E -BC 142 97A 0 26,-2.9 26,-2.0 -2,-0.5 71,-0.2 -0.936 10.0-158.8-108.9 123.2 -10.1 25.4 17.3 72 107 A D S S- 0 0 31 69,-2.7 2,-0.2 -2,-0.5 70,-0.1 0.735 76.9 -19.1 -71.8 -23.8 -7.3 24.3 19.8 73 108 A G - 0 0 0 68,-0.5 67,-1.2 67,-0.2 2,-0.4 -0.676 52.0-179.8 173.7 129.4 -5.3 22.7 16.9 74 109 A V - 0 0 0 18,-0.4 2,-0.5 21,-0.4 64,-0.2 -0.972 40.3-108.6-136.6 119.4 -5.7 21.4 13.3 75 110 A N B S-I 137 0C 4 62,-2.1 62,-2.2 -2,-0.4 2,-0.1 -0.826 78.0 -32.6-100.5 121.1 -2.6 20.0 11.5 76 111 A S S S+ 0 0 13 -2,-0.5 16,-3.3 60,-0.2 2,-0.4 -0.957 118.8 6.9-122.0 -11.8 -1.7 21.7 9.4 77 112 A I E -GH 91 118B 5 41,-1.7 41,-2.7 14,-0.2 2,-0.4 -0.988 56.5-165.5-126.4 136.3 -4.0 23.9 7.3 78 113 A A E -GH 90 117B 0 12,-2.5 12,-2.4 -2,-0.4 2,-0.5 -0.993 8.3-169.8-124.0 131.1 -7.6 24.3 8.1 79 114 A D E -GH 89 116B 41 37,-2.1 37,-2.9 -2,-0.4 2,-0.4 -0.988 16.2-158.9-115.6 126.1 -10.3 25.8 5.8 80 115 A V E -GH 88 115B 0 8,-2.5 7,-3.0 -2,-0.5 8,-1.2 -0.876 9.2-173.8-114.8 137.3 -13.6 26.4 7.6 81 116 A F E -GH 86 114B 34 33,-2.6 33,-2.5 -2,-0.4 2,-0.5 -0.982 12.6-157.1-130.9 138.4 -17.0 26.7 5.9 82 117 A I E > S-GH 85 113B 5 3,-2.4 3,-1.8 -2,-0.4 31,-0.2 -0.981 89.5 -8.0-116.8 126.5 -20.4 27.6 7.4 83 118 A N T 3 S- 0 0 45 29,-2.4 -1,-0.2 -2,-0.5 30,-0.1 0.886 132.1 -60.3 48.0 39.4 -23.4 26.4 5.3 84 119 A R T 3 S+ 0 0 150 28,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.501 111.3 124.3 70.4 8.7 -20.7 25.5 2.8 85 120 A K E < -G 82 0B 154 -3,-1.8 -3,-2.4 19,-0.1 -1,-0.2 -0.872 68.8-112.8 -97.8 129.0 -19.5 29.2 2.5 86 121 A H E +G 81 0B 101 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.355 38.0 171.5 -60.8 127.8 -15.8 29.7 3.1 87 122 A I E - 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