==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-12 4HBS . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 406 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 31.8 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 8 4 3 0 1 0 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 . 1 1 3 2 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 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 28 A N 0 0 120 0, 0.0 401,-0.1 0, 0.0 400,-0.1 0.000 360.0 360.0 360.0 110.3 46.2 37.1 0.4 2 29 A S + 0 0 121 399,-0.1 2,-0.2 2,-0.1 399,-0.0 0.510 360.0 114.1 -79.1 -9.3 42.3 37.2 0.7 3 30 A E - 0 0 74 1,-0.0 2,-0.6 2,-0.0 24,-0.0 -0.505 48.4-165.2 -70.6 130.8 42.0 33.6 -0.7 4 31 A V - 0 0 53 -2,-0.2 2,-1.2 2,-0.0 -2,-0.1 -0.924 14.5-146.0-117.6 94.3 40.5 31.1 1.9 5 32 A K - 0 0 56 -2,-0.6 393,-0.1 22,-0.1 -2,-0.0 -0.528 14.7-148.0 -66.9 93.5 41.2 27.6 0.5 6 33 A X - 0 0 130 -2,-1.2 2,-0.1 1,-0.1 389,-0.1 -0.485 18.0-126.0 -64.7 117.5 38.1 25.6 1.7 7 34 A P - 0 0 27 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.467 9.6-135.4 -74.5 139.9 39.2 22.0 2.4 8 35 A Q - 0 0 164 -2,-0.1 2,-0.5 2,-0.0 -2,-0.0 -0.855 27.3-170.8 -94.4 103.2 37.2 19.2 0.7 9 36 A I - 0 0 53 -2,-0.8 2,-0.3 6,-0.0 5,-0.0 -0.887 16.9-141.0-102.6 124.1 36.7 16.6 3.4 10 37 A D > - 0 0 83 -2,-0.5 3,-1.3 1,-0.1 5,-0.3 -0.640 14.4-136.5 -76.9 133.7 35.2 13.1 2.5 11 38 A S G > S+ 0 0 112 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.791 103.2 69.3 -63.7 -26.2 32.8 12.0 5.2 12 39 A E G 3 S+ 0 0 94 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.793 86.9 67.2 -59.1 -30.5 34.4 8.5 5.0 13 40 A W G < S- 0 0 31 -3,-1.3 22,-0.7 1,-0.1 -1,-0.3 0.646 96.6-142.6 -65.3 -19.0 37.6 10.1 6.6 14 41 A N < + 0 0 81 -3,-1.5 20,-2.2 -4,-0.2 21,-0.6 0.905 38.1 163.8 52.5 51.1 35.7 10.6 9.9 15 42 A L E -A 33 0A 25 -5,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.737 26.3-156.0 -94.6 144.6 37.3 14.0 10.6 16 43 A E E -A 32 0A 85 16,-1.8 16,-2.9 -2,-0.3 2,-0.0 -0.981 19.8-127.0-125.5 112.5 35.7 16.3 13.3 17 44 A L E -A 31 0A 92 -2,-0.5 14,-0.3 14,-0.2 12,-0.0 -0.339 22.0-135.2 -60.3 138.7 36.6 20.0 12.9 18 45 A X - 0 0 5 12,-2.8 12,-0.3 1,-0.1 3,-0.1 -0.734 26.0-102.2 -94.9 147.0 38.0 21.6 16.1 19 46 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.287 46.6 -85.3 -68.5 152.3 36.7 25.0 17.2 20 47 A N - 0 0 144 1,-0.2 6,-0.1 2,-0.1 5,-0.1 -0.435 52.3-170.8 -52.6 113.5 38.7 28.2 16.6 21 48 A R - 0 0 91 -2,-0.2 -1,-0.2 -3,-0.1 4,-0.0 0.985 35.6-108.7 -77.4 -63.8 40.9 27.9 19.8 22 49 A S S S+ 0 0 123 2,-0.1 -2,-0.1 3,-0.0 -1,-0.0 -0.261 111.3 64.5 157.1 -48.5 42.8 31.2 20.1 23 50 A G S S+ 0 0 27 2,-0.1 2,-0.3 308,-0.0 305,-0.2 0.782 92.0 77.4 -66.8 -32.3 46.3 29.9 19.2 24 51 A Q S S- 0 0 23 307,-0.1 306,-0.1 1,-0.1 2,-0.1 -0.624 82.7-116.6 -92.7 147.5 45.3 28.9 15.6 25 52 A Y > - 0 0 49 303,-0.4 3,-1.6 304,-0.4 -4,-0.1 -0.435 26.2-120.9 -71.7 139.6 44.8 31.3 12.5 26 53 A W T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.726 111.8 55.8 -60.8 -24.7 41.3 31.4 11.1 27 54 A K T 3 S+ 0 0 6 369,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.563 90.9 88.3 -82.2 -10.7 42.4 30.2 7.6 28 55 A V < - 0 0 2 -3,-1.6 2,-0.6 368,-0.1 367,-0.2 -0.828 67.9-155.0 -93.3 119.2 44.0 27.0 9.2 29 56 A F E - B 0 394A 35 365,-2.4 365,-3.3 -2,-0.6 2,-0.4 -0.873 11.1-169.8 -98.6 116.2 41.4 24.1 9.5 30 57 A V E - B 0 393A 1 -2,-0.6 -12,-2.8 -12,-0.3 2,-0.3 -0.897 6.1-175.8-107.4 137.9 42.3 21.6 12.3 31 58 A Y E -AB 17 392A 24 361,-2.4 361,-2.0 -2,-0.4 2,-0.5 -0.966 29.2-126.0-133.3 151.6 40.5 18.3 12.7 32 59 A K E -AB 16 391A 31 -16,-2.9 -16,-1.8 -2,-0.3 2,-1.2 -0.834 28.0-137.1 -88.9 122.8 40.4 15.4 15.1 33 60 A D E > +A 15 0A 0 357,-2.0 4,-2.2 -2,-0.5 357,-0.4 -0.726 27.8 176.0 -83.0 98.6 41.0 12.2 13.0 34 61 A L H > S+ 0 0 46 -20,-2.2 4,-1.8 -2,-1.2 -1,-0.2 0.761 75.0 61.5 -76.0 -23.8 38.3 9.9 14.6 35 62 A K H > S+ 0 0 17 -22,-0.7 4,-1.8 -21,-0.6 -1,-0.2 0.915 111.7 37.5 -64.5 -46.3 39.1 7.1 12.1 36 63 A Y H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.912 112.3 56.6 -75.6 -40.1 42.7 6.8 13.4 37 64 A N H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 111.3 46.5 -55.7 -35.9 41.7 7.5 17.0 38 65 A A H >< S+ 0 0 59 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.885 105.8 57.9 -72.9 -40.1 39.4 4.4 16.5 39 66 A L H 3< S+ 0 0 12 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.884 110.6 43.5 -56.6 -39.6 42.1 2.3 14.9 40 67 A F T 3< S+ 0 0 0 -4,-2.0 2,-0.7 348,-0.1 -1,-0.3 0.073 90.0 92.4 -97.5 24.7 44.3 2.8 18.0 41 68 A T < + 0 0 55 -3,-1.9 2,-0.3 -5,-0.1 -1,-0.1 -0.885 65.1 160.7-110.3 83.0 41.4 2.1 20.4 42 69 A R - 0 0 28 -2,-0.7 3,-0.1 1,-0.1 -2,-0.1 -0.758 39.5-164.1-112.5 159.3 42.1 -1.7 20.6 43 70 A S S S+ 0 0 72 1,-0.3 31,-2.1 -2,-0.3 2,-0.4 0.629 75.4 44.3-113.0 -26.5 41.1 -4.4 23.1 44 71 A L E S-E 73 0B 60 2,-0.2 2,-0.3 29,-0.2 -1,-0.3 -0.998 114.6 -10.4-128.2 130.5 43.6 -7.4 22.4 45 72 A G E S+E 72 0B 0 27,-1.9 27,-1.9 -2,-0.4 77,-0.1 -0.688 124.9 28.5 85.4-140.2 47.3 -7.0 21.8 46 73 A W E +E 71 0B 0 -2,-0.3 25,-0.2 25,-0.2 -2,-0.2 -0.354 66.7 153.5 -55.4 122.9 48.7 -3.5 21.3 47 74 A N E + 0 0 0 23,-2.6 2,-0.2 1,-0.4 -1,-0.2 0.190 61.2 8.4-139.6 19.8 46.2 -1.3 23.3 48 75 A G E +E 70 0B 0 22,-0.5 22,-2.4 -7,-0.1 -1,-0.4 -0.746 69.4 146.6 165.0 141.5 48.3 1.8 24.4 49 76 A G - 0 0 1 337,-0.9 2,-0.2 20,-0.3 20,-0.2 -0.989 31.4-115.7-175.4-178.2 51.7 3.3 23.6 50 77 A D S S+ 0 0 11 18,-0.5 17,-2.0 -2,-0.3 2,-1.0 -0.735 78.3 30.8-132.5 167.0 54.4 5.9 23.1 51 78 A G E -G 66 0C 0 15,-0.3 15,-0.2 -2,-0.2 300,-0.1 -0.726 62.0-171.8 78.6-100.0 56.6 7.1 20.2 52 79 A V E + 0 0 0 13,-1.1 2,-0.4 -2,-1.0 14,-0.2 0.962 11.7 173.8 71.3 81.6 54.3 6.3 17.2 53 80 A F E -G 65 0C 6 12,-1.6 12,-1.8 99,-0.1 2,-0.2 -0.995 14.4-155.3-122.8 126.3 56.5 7.0 14.2 54 81 A T E -G 64 0C 15 -2,-0.4 2,-0.3 298,-0.3 100,-0.2 -0.632 12.0-177.4-101.3 158.7 55.5 6.2 10.6 55 82 A T E -G 63 0C 16 8,-0.9 8,-2.5 -2,-0.2 100,-0.1 -0.797 25.0-134.5-155.0 103.5 57.6 5.4 7.5 56 83 A G E -G 62 0C 39 -2,-0.3 6,-0.2 6,-0.2 100,-0.1 -0.379 25.2-145.3 -59.7 136.2 55.9 4.9 4.2 57 84 A L > - 0 0 15 4,-2.9 3,-1.2 298,-0.1 -1,-0.1 -0.666 20.4-114.2-103.4 163.1 57.3 1.8 2.4 58 85 A P T 3 S+ 0 0 82 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.676 111.8 61.3 -72.0 -14.5 57.9 1.3 -1.4 59 86 A D T 3 S- 0 0 71 2,-0.1 3,-0.1 130,-0.0 -3,-0.0 0.292 123.0 -98.1 -92.4 8.1 55.3 -1.6 -1.5 60 87 A G S < S+ 0 0 50 -3,-1.2 2,-0.1 1,-0.4 -4,-0.0 0.258 89.6 115.3 94.9 -10.5 52.4 0.7 -0.4 61 88 A N - 0 0 18 33,-0.1 -4,-2.9 34,-0.1 2,-0.4 -0.373 58.6-132.9 -85.8 169.9 52.5 -0.4 3.3 62 89 A I E -GH 56 93C 19 31,-2.5 31,-3.4 -6,-0.2 2,-0.5 -0.992 10.2-140.3-126.7 133.3 53.4 1.9 6.3 63 90 A F E -GH 55 92C 1 -8,-2.5 -8,-0.9 -2,-0.4 2,-0.4 -0.828 17.5-166.8 -96.0 126.7 55.9 1.0 9.0 64 91 A W E -GH 54 91C 0 27,-2.7 27,-2.0 -2,-0.5 2,-0.4 -0.956 1.5-168.0-114.0 131.7 54.9 2.0 12.6 65 92 A S E -GH 53 90C 0 -12,-1.8 -12,-1.6 -2,-0.4 -13,-1.1 -0.939 4.6-168.5-119.7 143.8 57.3 2.0 15.6 66 93 A F E -GH 51 89C 0 23,-2.7 23,-1.7 -2,-0.4 -15,-0.3 -0.916 12.2-154.1-129.1 156.1 56.5 2.3 19.2 67 94 A N S S+ 0 0 6 -17,-2.0 -1,-0.1 -2,-0.3 2,-0.1 0.221 77.4 1.4 -99.4-140.3 58.4 2.9 22.5 68 95 A D S S+ 0 0 19 -19,-0.1 -18,-0.5 19,-0.1 2,-0.3 -0.317 84.5 171.0 -54.9 113.8 56.9 1.7 25.9 69 96 A S - 0 0 0 17,-1.7 2,-0.5 -20,-0.2 -20,-0.3 -0.986 35.0-122.5-132.2 147.0 53.6 0.1 24.9 70 97 A F E -E 48 0B 1 -22,-2.4 -23,-2.6 -2,-0.3 -22,-0.5 -0.749 25.3-175.3 -88.2 124.2 50.9 -2.0 26.6 71 98 A Y E +EF 46 84B 0 13,-1.8 13,-2.9 -2,-0.5 51,-0.3 -0.992 46.7 58.0-119.9 117.3 50.2 -5.4 25.0 72 99 A G E S-EF 45 83B 0 -27,-1.9 -27,-1.9 -2,-0.5 2,-0.4 -0.922 83.6 -19.5 168.1-136.9 47.4 -7.3 26.6 73 100 A V E -E 44 0B 38 9,-1.6 8,-3.1 -2,-0.3 2,-0.5 -0.911 33.6-160.4-118.9 135.1 43.7 -7.1 27.5 74 101 A I E - F 0 80B 14 -31,-2.1 6,-0.3 -2,-0.4 4,-0.1 -0.959 22.2-158.2-111.1 126.4 41.2 -4.2 27.8 75 102 A N E >> - F 0 79B 71 4,-3.3 4,-1.2 -2,-0.5 3,-0.6 -0.166 40.2 -37.4 -95.4-175.7 38.0 -5.0 29.8 76 103 A E T 34 S+ 0 0 151 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 -0.130 126.2 15.4 -44.0 135.4 34.5 -3.5 29.9 77 104 A N T 34 S- 0 0 109 1,-0.2 304,-2.9 303,-0.1 -1,-0.2 0.851 131.5 -66.1 61.2 44.8 34.4 0.4 29.7 78 105 A R T <4 S+ 0 0 32 -3,-0.6 305,-2.3 302,-0.2 2,-0.7 0.884 87.0 158.7 48.3 45.7 38.0 0.7 28.3 79 106 A S E < -F 75 0B 17 -4,-1.2 -4,-3.3 -3,-0.3 -1,-0.2 -0.907 39.6-131.3-101.5 106.1 39.4 -0.5 31.6 80 107 A R E +F 74 0B 0 -2,-0.7 298,-2.7 299,-0.4 -6,-0.2 -0.433 32.0 177.4 -64.4 134.3 42.9 -1.8 30.9 81 108 A G E - 0 0 5 -8,-3.1 2,-0.5 1,-0.2 -1,-0.1 0.175 49.3 -3.8-107.1-136.1 43.5 -5.3 32.4 82 109 A N E S+ 0 0 111 -10,-0.1 -9,-1.6 295,-0.0 2,-0.3 -0.512 76.5 162.4 -70.4 115.3 46.5 -7.7 32.3 83 110 A C E -F 72 0B 26 -2,-0.5 -11,-0.3 -11,-0.2 2,-0.2 -0.935 36.2-134.5-134.9 159.1 49.3 -6.2 30.0 84 111 A S E -F 71 0B 6 -13,-2.9 -13,-1.8 -2,-0.3 39,-0.1 -0.683 15.5-147.0 -99.2 157.7 53.0 -6.4 29.2 85 112 A F - 0 0 44 -2,-0.2 -15,-0.2 -15,-0.2 38,-0.1 -0.378 19.5-173.3-129.7 60.7 55.0 -3.2 28.8 86 113 A P - 0 0 0 0, 0.0 -17,-1.7 0, 0.0 3,-0.1 -0.132 29.4-128.4 -51.6 144.0 57.7 -3.9 26.1 87 114 A R S S- 0 0 13 -19,-0.2 2,-0.3 1,-0.2 -19,-0.1 0.741 86.4 -3.8 -70.4 -19.7 60.3 -1.1 25.7 88 115 A N + 0 0 0 62,-0.1 37,-2.3 -19,-0.1 2,-0.3 -0.976 63.4 171.1-165.7 159.4 59.6 -1.1 21.9 89 116 A S E -H 66 0C 2 -23,-1.7 -23,-2.7 -2,-0.3 2,-0.3 -0.957 16.6-139.6-163.2 165.2 57.7 -2.8 19.2 90 117 A I E -H 65 0C 2 15,-0.3 15,-0.9 -2,-0.3 2,-0.3 -0.872 11.2-173.9-134.1 167.0 56.8 -2.5 15.6 91 118 A X E -HI 64 104C 0 -27,-2.0 -27,-2.7 -2,-0.3 2,-0.4 -0.967 17.8-137.1-155.2 155.2 53.8 -2.9 13.2 92 119 A V E -HI 63 103C 0 11,-1.9 11,-3.1 -2,-0.3 2,-0.5 -0.996 13.9-154.0-121.5 123.4 53.1 -2.8 9.4 93 120 A Q E -HI 62 102C 8 -31,-3.4 -31,-2.5 -2,-0.4 9,-0.2 -0.885 12.5-162.0 -96.9 124.7 49.9 -1.1 8.2 94 121 A T > - 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