==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-10 3NMB . COMPND 2 MOLECULE: PUTATIVE SUGAR HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 2 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 . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 5 2 1 3 1 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 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 33 A P 0 0 173 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 10.3 41.0 34.5 22.2 2 34 A S + 0 0 87 22,-0.2 22,-1.7 21,-0.0 2,-0.3 -0.378 360.0 178.7 -71.4 146.0 39.9 38.2 22.1 3 35 A K E -A 23 0A 131 20,-0.3 2,-0.4 -2,-0.1 18,-0.1 -0.955 20.3-152.7-149.1 157.3 39.2 39.8 25.5 4 36 A V E -A 22 0A 54 18,-2.3 18,-2.7 -2,-0.3 2,-0.5 -0.994 23.2-120.0-141.5 142.4 38.2 43.0 27.2 5 37 A A E -A 21 0A 56 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.724 29.1-173.1 -82.5 121.1 38.9 44.4 30.6 6 38 A L E -A 20 0A 13 14,-3.0 14,-2.4 -2,-0.5 2,-0.1 -0.981 18.5-132.5-116.0 129.4 35.7 45.1 32.6 7 39 A S E -A 19 0A 37 -2,-0.5 2,-0.3 12,-0.2 12,-0.3 -0.399 27.9-179.7 -72.7 152.1 36.0 46.9 36.0 8 40 A Y E -A 18 0A 35 10,-2.6 10,-1.6 74,-0.1 2,-0.3 -0.984 21.8-129.0-148.8 163.7 34.1 45.6 39.1 9 41 A S - 0 0 2 72,-1.7 7,-0.2 -2,-0.3 72,-0.2 -0.832 5.8-156.1-115.5 152.3 33.5 46.4 42.7 10 42 A K + 0 0 117 5,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.561 68.2 20.3-108.0 -12.1 34.0 44.0 45.6 11 43 A S S > S- 0 0 51 4,-0.2 3,-1.8 36,-0.1 36,-0.2 -0.904 100.9 -45.1-150.0 175.1 31.7 45.4 48.4 12 44 A L T 3 S- 0 0 69 33,-0.3 -2,-0.1 -2,-0.3 32,-0.0 -0.199 119.8 -16.9 -52.1 126.7 28.8 47.6 49.2 13 45 A K T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.0 0.475 97.4 152.5 53.2 10.8 28.9 50.9 47.3 14 46 A A < - 0 0 20 -3,-1.8 -1,-0.2 1,-0.1 2,-0.1 -0.243 51.0-104.0 -67.2 154.0 32.7 50.3 46.6 15 47 A P - 0 0 91 0, 0.0 2,-2.0 0, 0.0 -5,-0.4 -0.409 35.1-107.4 -70.9 153.9 34.4 51.9 43.6 16 48 A E + 0 0 44 1,-0.2 -7,-0.2 -7,-0.2 -8,-0.0 -0.536 63.1 148.4 -84.7 73.2 35.1 49.5 40.7 17 49 A T + 0 0 115 -2,-2.0 2,-0.2 -10,-0.1 -1,-0.2 0.501 50.4 67.8 -91.1 -3.1 38.8 49.5 41.4 18 50 A D E -A 8 0A 68 -10,-1.6 -10,-2.6 -3,-0.2 2,-0.3 -0.711 67.7-149.3-111.2 169.7 39.5 45.9 40.2 19 51 A S E -A 7 0A 69 -12,-0.3 2,-0.4 -2,-0.2 -12,-0.2 -0.985 10.3-157.4-144.9 147.2 39.3 44.4 36.8 20 52 A L E -A 6 0A 21 -14,-2.4 -14,-3.0 -2,-0.3 2,-0.7 -0.972 17.4-139.4-120.8 139.1 38.5 41.1 34.9 21 53 A N E -A 5 0A 114 -2,-0.4 -16,-0.2 -16,-0.2 -2,-0.0 -0.886 34.8-179.9 -97.6 111.9 39.7 40.2 31.4 22 54 A L E -A 4 0A 17 -18,-2.7 -18,-2.3 -2,-0.7 2,-0.1 -0.788 31.1 -98.8-117.3 150.2 36.6 38.5 29.9 23 55 A P E -A 3 0A 61 0, 0.0 8,-2.4 0, 0.0 2,-0.4 -0.437 32.9-164.0 -69.3 142.0 36.1 37.0 26.5 24 56 A V B -B 30 0B 37 -22,-1.7 6,-0.2 6,-0.2 -22,-0.2 -0.992 11.9-140.2-122.3 135.5 34.3 39.1 23.8 25 57 A D > - 0 0 64 4,-2.1 3,-1.8 -2,-0.4 -22,-0.0 -0.208 35.9 -85.1 -89.4-176.4 32.9 37.5 20.7 26 58 A E T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 127.5 47.3 -66.7 -21.7 32.8 38.7 17.1 27 59 A N T 3 S- 0 0 95 2,-0.1 -1,-0.3 0, 0.0 226,-0.0 0.288 123.2 -97.7-102.4 6.8 29.7 40.8 17.7 28 60 A G S < S+ 0 0 27 -3,-1.8 226,-0.6 1,-0.3 2,-0.5 0.525 72.1 145.4 94.2 7.6 30.8 42.5 20.9 29 61 A Y E - C 0 253B 26 224,-0.2 -4,-2.1 222,-0.1 2,-0.5 -0.703 36.8-151.4 -83.0 120.6 29.1 40.3 23.5 30 62 A I E -BC 24 252B 8 222,-2.7 222,-2.5 -2,-0.5 2,-0.7 -0.810 14.6-130.3 -93.1 123.9 31.3 39.9 26.6 31 63 A T E - C 0 251B 44 -8,-2.4 220,-0.3 -2,-0.5 3,-0.1 -0.675 27.0-179.0 -78.5 116.2 30.7 36.7 28.4 32 64 A I + 0 0 4 218,-1.8 2,-0.5 -2,-0.7 -1,-0.2 0.624 67.2 55.1 -98.4 -13.2 30.2 37.7 32.0 33 65 A F - 0 0 7 217,-1.1 217,-0.3 1,-0.1 -1,-0.2 -0.982 68.3-160.4-117.8 121.8 29.8 34.3 33.6 34 66 A D - 0 0 79 -2,-0.5 4,-0.1 3,-0.4 -1,-0.1 0.416 37.4-114.0 -87.4 1.4 32.6 31.9 32.9 35 67 A G S S+ 0 0 20 2,-0.3 23,-0.6 23,-0.1 24,-0.2 0.230 105.1 47.5 91.4 -13.6 30.9 28.6 33.6 36 68 A E S S+ 0 0 158 1,-0.2 2,-0.3 22,-0.1 19,-0.1 0.608 105.1 31.1-137.8 -26.8 33.0 27.9 36.6 37 69 A T - 0 0 46 2,-0.1 -3,-0.4 0, 0.0 -2,-0.3 -0.883 60.5-126.3-133.9 168.9 33.4 30.8 39.0 38 70 A F > + 0 0 37 -2,-0.3 3,-2.0 -5,-0.1 2,-0.1 -0.123 49.1 158.6-102.1 32.0 31.6 33.8 40.4 39 71 A N T 3 S+ 0 0 92 1,-0.3 -5,-0.1 41,-0.0 3,-0.1 -0.377 74.3 11.3 -55.2 126.2 34.5 36.2 39.5 40 72 A G T 3 S+ 0 0 6 1,-0.3 41,-2.4 -2,-0.1 2,-0.3 0.188 111.3 103.1 88.6 -21.1 33.1 39.7 39.4 41 73 A W E < +J 80 0C 12 -3,-2.0 2,-0.3 39,-0.2 -1,-0.3 -0.739 39.5 153.1 -97.5 150.5 29.8 38.5 41.0 42 74 A R E -J 79 0C 8 37,-2.0 37,-2.9 -2,-0.3 7,-0.3 -0.957 49.3 -72.8-161.1 163.7 28.8 39.1 44.6 43 75 A G E > -J 78 0C 0 5,-2.3 3,-2.5 -2,-0.3 35,-0.3 -0.396 57.9 -97.3 -59.6 136.1 25.7 39.4 46.7 44 76 A Y T 3 S+ 0 0 10 33,-2.5 -1,-0.1 1,-0.3 3,-0.1 -0.432 115.2 5.2 -47.3 117.4 23.7 42.6 46.3 45 77 A G T 3 S+ 0 0 19 1,-0.3 -33,-0.3 -2,-0.1 -1,-0.3 0.387 118.2 97.7 84.2 -3.2 25.0 44.6 49.3 46 78 A K < - 0 0 69 -3,-2.5 -1,-0.3 2,-0.2 3,-0.0 -0.605 68.4-141.2-113.2 170.1 27.5 42.0 50.3 47 79 A D S S+ 0 0 118 -2,-0.2 2,-0.3 -36,-0.2 -36,-0.1 -0.009 89.3 54.1-111.9 25.9 31.3 41.4 49.7 48 80 A R S S- 0 0 99 -5,-0.2 -5,-2.3 0, 0.0 -2,-0.2 -0.963 88.6-106.6-157.4 152.0 30.7 37.7 49.3 49 81 A V - 0 0 34 -2,-0.3 2,-0.2 -7,-0.3 29,-0.1 -0.816 40.2-119.4 -88.2 126.6 28.5 35.4 47.1 50 82 A P > - 0 0 0 0, 0.0 3,-2.5 0, 0.0 25,-0.1 -0.514 18.9-127.3 -66.5 137.9 25.7 33.9 49.1 51 83 A T T 3 S+ 0 0 93 1,-0.3 24,-0.1 -2,-0.2 -2,-0.0 0.536 101.8 77.0 -73.4 -4.0 26.0 30.1 49.1 52 84 A K T 3 S+ 0 0 31 22,-1.8 11,-2.7 10,-0.1 2,-0.6 0.696 85.2 75.6 -74.3 -15.5 22.5 29.6 47.9 53 85 A W E < S+D 62 0B 6 -3,-2.5 2,-0.2 9,-0.2 9,-0.2 -0.877 70.8 168.9 -89.4 120.2 23.9 30.6 44.5 54 86 A T E -D 61 0B 44 7,-2.5 7,-2.8 -2,-0.6 2,-0.5 -0.716 31.2-123.9-125.0 176.9 25.9 27.7 43.2 55 87 A I E +D 60 0B 53 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.989 34.9 157.1-128.3 123.0 27.6 26.7 39.9 56 88 A E E > -D 59 0B 68 3,-2.0 3,-1.8 -2,-0.5 -2,-0.0 -0.981 63.2 -6.4-147.7 137.3 26.8 23.4 38.1 57 89 A D T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -21,-0.1 0.838 128.3 -51.4 52.0 42.6 27.1 22.2 34.5 58 90 A G T 3 S+ 0 0 34 -23,-0.6 191,-0.5 1,-0.2 2,-0.3 0.575 118.1 107.6 75.0 12.4 28.1 25.6 33.2 59 91 A C E < S-D 56 0B 4 -3,-1.8 -3,-2.0 -24,-0.2 2,-0.5 -0.865 70.5-124.8-121.7 151.4 25.2 27.4 34.9 60 92 A I E -DE 55 247B 0 187,-2.3 187,-2.4 -2,-0.3 2,-0.4 -0.843 37.4-167.9 -83.3 124.4 24.5 29.7 37.8 61 93 A K E -DE 54 246B 30 -7,-2.8 -7,-2.5 -2,-0.5 2,-0.5 -0.939 17.1-147.9-112.5 141.8 21.9 27.9 40.0 62 94 A F E -DE 53 245B 0 183,-2.5 183,-0.9 -2,-0.4 2,-0.8 -0.924 12.1-149.2 -95.7 138.0 19.8 29.4 42.8 63 95 A N - 0 0 46 -11,-2.7 2,-0.2 -2,-0.5 181,-0.1 -0.817 22.4-163.9-107.8 93.4 19.0 26.8 45.5 64 96 A G - 0 0 25 -2,-0.8 180,-0.2 1,-0.1 179,-0.2 -0.474 27.2-163.2 -87.6 150.5 15.7 27.8 46.9 65 97 A S - 0 0 75 -2,-0.2 178,-0.1 7,-0.1 -1,-0.1 0.352 54.7-104.2-110.0 1.9 14.1 26.8 50.1 66 98 A G S S+ 0 0 55 176,-2.4 177,-0.1 2,-0.1 176,-0.1 0.703 80.6 124.9 93.8 25.5 10.6 28.0 49.1 67 99 A G > - 0 0 34 1,-0.3 3,-2.0 175,-0.1 175,-0.2 0.214 54.0-148.3-102.2 13.7 10.1 31.3 51.0 68 100 A G G > S- 0 0 20 173,-0.4 3,-0.7 1,-0.3 -1,-0.3 -0.357 78.7 -0.0 57.4-122.4 9.4 33.6 48.1 69 101 A E G 3 S+ 0 0 120 1,-0.2 -1,-0.3 172,-0.2 173,-0.1 0.477 107.5 99.6 -72.9 -4.9 10.7 37.1 48.9 70 102 A A G < - 0 0 62 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.1 0.859 64.7-159.9 -52.8 -43.0 11.9 36.0 52.3 71 103 A Q < + 0 0 69 -3,-0.7 4,-0.4 1,-0.1 -1,-0.1 0.897 31.1 167.8 57.5 42.7 15.6 35.7 51.2 72 104 A D + 0 0 76 2,-0.1 4,-0.1 3,-0.0 -7,-0.1 -0.242 37.3 22.7 -84.3 174.5 16.2 33.5 54.2 73 105 A G S S- 0 0 67 1,-0.2 2,-1.8 2,-0.1 -21,-0.0 -0.314 130.5 -24.4 57.1-151.2 19.2 31.3 54.9 74 106 A D S S+ 0 0 46 -24,-0.0 -22,-1.8 -2,-0.0 -21,-0.2 -0.570 112.1 114.8 -90.7 74.9 22.4 32.3 53.1 75 107 A G + 0 0 5 -2,-1.8 2,-0.1 -4,-0.4 -2,-0.1 -0.225 20.3 125.4-123.5-154.7 20.5 34.0 50.3 76 108 A G - 0 0 3 -4,-0.1 165,-0.1 -2,-0.1 -24,-0.1 -0.222 64.8 -53.2 107.1 163.4 19.8 37.4 48.7 77 109 A D - 0 0 6 163,-0.2 -33,-2.5 -2,-0.1 2,-0.4 -0.217 50.2-132.9 -72.1 156.9 20.0 38.7 45.1 78 110 A L E -JK 43 238C 0 160,-2.4 160,-2.8 -35,-0.3 2,-0.4 -0.919 19.3-166.8-118.7 133.8 23.2 38.3 43.1 79 111 A I E -JK 42 237C 0 -37,-2.9 -37,-2.0 -2,-0.4 2,-0.9 -0.925 27.8-132.4-121.8 146.6 24.9 41.1 41.0 80 112 A F E -JK 41 236C 2 156,-2.5 2,-2.7 -2,-0.4 156,-0.6 -0.904 37.4-135.5 -87.2 111.5 27.6 41.2 38.4 81 113 A A E S+ 0 0 0 -41,-2.4 -72,-1.7 -2,-0.9 2,-0.4 -0.135 71.2 100.2 -78.4 47.6 29.4 44.1 40.1 82 114 A H E S- 0 0 24 -2,-2.7 154,-0.4 -74,-0.2 2,-0.4 -0.988 70.2-130.8-126.6 124.1 30.0 46.2 36.9 83 115 A K E - 0 0 63 -2,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.578 25.3-168.5 -74.1 123.8 27.7 49.1 36.2 84 116 A F E + K 0 234C 5 150,-2.6 150,-2.6 -2,-0.4 3,-0.1 -0.758 13.6 178.8-105.4 160.0 26.5 49.1 32.6 85 117 A K S S+ 0 0 108 1,-0.4 2,-0.6 -2,-0.3 -1,-0.2 0.593 75.3 18.2-121.7 -77.2 24.7 52.0 31.0 86 118 A N S S+ 0 0 33 169,-0.3 169,-2.3 94,-0.1 -1,-0.4 -0.925 91.8 133.7-101.6 119.5 23.8 51.3 27.4 87 119 A F E -FG 179 254B 0 92,-2.0 92,-2.7 -2,-0.6 2,-0.4 -0.980 50.3-135.0-159.2 160.1 23.9 47.5 26.9 88 120 A E E -FG 178 253B 27 165,-2.1 165,-2.4 -2,-0.3 2,-0.3 -0.937 22.6-164.0-128.0 111.6 22.3 44.4 25.6 89 121 A L E -FG 177 252B 1 88,-2.5 88,-1.9 -2,-0.4 2,-0.4 -0.732 6.4-176.1 -86.2 138.0 22.2 41.4 27.9 90 122 A E E +FG 176 251B 52 161,-2.6 161,-2.5 -2,-0.3 2,-0.3 -0.992 15.6 148.1-126.1 140.3 21.5 37.9 26.5 91 123 A L E -F 175 0B 5 84,-2.0 84,-3.3 -2,-0.4 2,-0.4 -0.968 38.9-121.7-154.3 169.3 21.2 34.8 28.6 92 124 A E E -FG 174 248B 39 156,-2.5 156,-2.1 -2,-0.3 2,-0.3 -0.933 29.1-169.5-111.3 146.1 19.4 31.4 28.8 93 125 A W E -FG 173 247B 0 80,-2.4 80,-3.1 -2,-0.4 2,-0.3 -0.985 11.4-168.7-138.9 149.3 17.2 30.5 31.7 94 126 A K E - 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M 0 235C 1 128,-2.2 128,-2.3 21,-0.1 2,-0.4 -0.433 18.1-163.1 -69.8 137.8 20.4 48.2 40.0 108 140 A Q - 0 0 51 16,-0.3 2,-0.7 126,-0.2 19,-0.2 -0.920 24.3-121.5-110.3 147.9 21.9 50.6 42.6 109 141 A E - 0 0 19 -2,-0.4 2,-0.4 18,-0.1 15,-0.1 -0.831 41.8-173.3 -86.8 116.1 22.9 49.5 46.0 110 142 A V - 0 0 17 -2,-0.7 12,-2.9 12,-0.4 2,-0.3 -0.931 14.3-175.9-122.9 130.5 20.8 51.6 48.3 111 143 A T E -P 121 0D 28 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.919 6.8-159.8-119.1 153.5 20.8 52.1 52.0 112 144 A S E -P 120 0D 33 8,-2.4 8,-3.2 -2,-0.3 2,-0.4 -0.884 22.7-115.6-119.5 162.1 18.5 54.1 54.3 113 145 A K E -P 119 0D 139 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.816 26.7-147.8 -93.7 132.2 19.0 55.4 57.8 114 146 A D > - 0 0 64 4,-2.0 3,-2.8 -2,-0.4 -1,-0.0 -0.326 43.8 -78.1 -85.3-179.9 16.8 54.0 60.5 115 147 A K T 3 S+ 0 0 189 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.704 133.6 49.0 -54.5 -21.7 15.7 55.9 63.7 116 148 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.341 119.4-105.8 -96.8 3.0 19.1 55.3 65.2 117 149 A G S < S+ 0 0 41 -3,-2.8 2,-0.2 1,-0.3 -2,-0.1 0.623 72.6 141.8 76.3 12.6 21.2 56.4 62.2 118 150 A N - 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