==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 11-APR-11 2YG0 . COMPND 2 MOLECULE: CARBOHYDRATE BINDING FAMILY 6; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR C.Y.MONTANIER,M.A.S.CORREIA,J.E.FLINT,Y.ZHU,A.BASLE,L.S.MCKE . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 59.0 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 . 45 32.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.9 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+4), 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 . 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 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 . 2 1 0 3 2 0 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 . 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 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 2 A Y 0 0 176 0, 0.0 135,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.0 20.7 3.1 58.3 2 3 A P - 0 0 92 0, 0.0 133,-1.8 0, 0.0 2,-0.3 -0.167 360.0 -97.0 -69.2 160.4 22.8 3.3 55.1 3 4 A K B -A 134 0A 116 131,-0.2 131,-0.2 1,-0.1 2,-0.2 -0.612 44.8-126.0 -74.4 130.6 26.2 5.0 54.7 4 5 A L - 0 0 21 129,-3.3 129,-0.4 -2,-0.3 2,-0.3 -0.573 19.8-153.7 -86.9 144.4 25.7 8.5 53.3 5 6 A T + 0 0 112 -2,-0.2 2,-0.3 43,-0.1 41,-0.1 -0.782 28.3 132.8-109.7 156.1 27.5 9.7 50.1 6 7 A G - 0 0 38 -2,-0.3 2,-0.5 39,-0.1 42,-0.2 -0.966 58.0 -58.4-173.7-170.4 28.3 13.2 49.1 7 8 A T E -E 47 0B 94 40,-2.9 40,-2.3 -2,-0.3 2,-0.3 -0.776 54.3-119.0 -87.6 131.7 31.0 15.5 47.8 8 9 A V E +E 46 0B 32 -2,-0.5 2,-0.3 38,-0.2 38,-0.2 -0.521 40.7 175.0 -72.2 130.7 34.1 15.6 50.0 9 10 A I E +E 45 0B 35 36,-2.3 36,-2.6 -2,-0.3 2,-0.3 -0.894 20.7 82.6-130.2 160.5 34.8 19.2 51.3 10 11 A G E S+E 44 0B 11 -2,-0.3 34,-0.2 34,-0.3 32,-0.1 -0.905 72.7 1.0 144.6-167.6 37.3 20.6 53.7 11 12 A T - 0 0 24 32,-2.5 11,-0.5 -2,-0.3 2,-0.2 -0.211 66.1-133.9 -55.3 130.1 40.8 21.9 54.2 12 13 A Q + 0 0 148 9,-0.1 -1,-0.1 10,-0.1 2,-0.1 -0.585 62.1 19.8 -89.7 152.4 42.8 21.8 51.0 13 14 A G S S- 0 0 40 -2,-0.2 9,-0.3 23,-0.1 2,-0.3 -0.320 72.3-112.4 92.0-172.6 46.4 20.4 50.7 14 15 A S > - 0 0 8 22,-0.2 3,-2.2 7,-0.1 22,-0.3 -0.976 39.8 -65.9-162.0 158.9 48.3 18.1 53.0 15 16 A W G > S- 0 0 119 20,-2.6 3,-2.4 5,-0.3 5,-0.3 -0.283 117.9 -10.2 -55.4 126.3 51.3 18.0 55.3 16 17 A N G 3 S- 0 0 114 1,-0.3 -1,-0.3 21,-0.2 20,-0.0 0.688 114.1 -83.4 56.0 19.1 54.6 18.6 53.5 17 18 A N G < S+ 0 0 147 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.751 91.5 140.8 59.1 28.0 52.6 18.3 50.2 18 19 A I S < S- 0 0 122 -3,-2.4 -2,-0.1 17,-0.1 -1,-0.1 0.869 71.2-109.9 -69.6 -32.4 53.0 14.5 50.6 19 20 A G S S+ 0 0 28 -4,-0.3 2,-2.1 16,-0.2 5,-0.1 0.503 73.2 136.9 118.0 4.8 49.4 14.0 49.4 20 21 A N + 0 0 37 -5,-0.3 15,-3.0 15,-0.2 -5,-0.3 -0.475 37.7 165.0 -80.4 67.6 47.5 12.8 52.5 21 22 A T > - 0 0 39 -2,-2.1 3,-2.2 13,-0.2 4,-0.3 -0.129 56.9 -85.3 -79.4 177.6 44.6 15.1 51.6 22 23 A I G > S+ 0 0 4 -11,-0.5 3,-1.9 -9,-0.3 4,-0.1 0.762 120.5 74.6 -54.9 -28.3 41.1 15.0 53.1 23 24 A H G > S+ 0 0 104 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.759 80.3 70.8 -61.7 -23.1 40.1 12.3 50.5 24 25 A K G X S+ 0 0 72 -3,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.675 87.8 65.1 -67.1 -12.9 42.1 9.7 52.4 25 26 A A G < S+ 0 0 0 -3,-1.9 106,-2.7 -4,-0.3 -1,-0.3 0.524 106.8 41.0 -86.3 1.4 39.4 9.8 55.1 26 27 A F G < S+ 0 0 52 -3,-1.7 -1,-0.2 104,-0.2 -2,-0.2 0.200 85.1 94.1-129.5 13.3 36.8 8.4 52.7 27 28 A D S < S- 0 0 74 -3,-0.6 -2,-0.1 2,-0.2 -1,-0.1 0.382 91.8-115.7 -94.2 0.8 38.7 5.7 50.8 28 29 A G S S+ 0 0 59 1,-0.2 2,-0.6 103,-0.1 102,-0.1 0.459 80.1 115.2 81.6 -0.6 37.7 2.7 53.0 29 30 A D > - 0 0 62 -5,-0.3 3,-1.1 100,-0.2 -2,-0.2 -0.916 50.5-162.8-108.0 119.2 41.3 2.0 54.1 30 31 A L T 3 S+ 0 0 54 -2,-0.6 35,-0.3 1,-0.2 70,-0.2 0.617 89.8 64.2 -73.0 -11.5 42.0 2.5 57.8 31 32 A N T 3 S+ 0 0 132 33,-0.1 2,-0.4 69,-0.1 -1,-0.2 0.580 91.7 72.5 -84.5 -15.3 45.7 2.6 57.1 32 33 A T < + 0 0 33 -3,-1.1 2,-0.3 -8,-0.2 -5,-0.1 -0.849 66.0 178.3-103.1 149.2 45.4 5.9 55.0 33 34 A F - 0 0 38 -2,-0.4 2,-0.5 -7,-0.0 96,-0.3 -0.925 34.5-104.5-147.4 159.2 44.8 9.1 56.7 34 35 A F B -I 128 0C 0 94,-2.7 94,-0.9 -2,-0.3 2,-0.5 -0.775 30.3-175.8 -83.5 125.5 44.3 12.9 56.3 35 36 A D - 0 0 8 -15,-3.0 -20,-2.6 -2,-0.5 -16,-0.2 -0.959 21.8-143.0-124.1 102.3 47.4 14.8 57.4 36 37 A G - 0 0 0 89,-3.4 -22,-0.2 -2,-0.5 -23,-0.1 -0.213 15.8-120.0 -69.5 163.7 46.6 18.5 57.1 37 38 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 0.684 95.3 42.3 -78.6 -15.7 49.0 21.2 56.0 38 39 A T S S- 0 0 76 1,-0.1 4,-0.2 -23,-0.1 -2,-0.1 -0.932 78.4-125.0-128.4 158.0 48.7 23.1 59.3 39 40 A A S S+ 0 0 45 -2,-0.3 86,-2.4 86,-0.1 85,-0.8 0.897 93.6 35.6 -62.6 -43.2 48.5 22.2 62.9 40 41 A N S S+ 0 0 78 82,-0.2 82,-0.1 83,-0.2 -2,-0.1 -0.750 102.5 32.5-113.8 158.9 45.2 24.0 63.5 41 42 A G S S+ 0 0 50 79,-0.4 -1,-0.1 -2,-0.3 2,-0.1 0.362 71.1 146.2 90.1 -4.0 42.0 24.7 61.7 42 43 A C + 0 0 0 -4,-0.2 78,-2.0 79,-0.2 2,-0.3 -0.396 15.4 158.5 -75.4 144.7 41.8 21.5 59.6 43 44 A W E - F 0 119B 56 76,-0.2 -32,-2.5 -2,-0.1 2,-0.3 -0.979 15.8-175.7-154.8 161.8 38.4 20.1 58.9 44 45 A L E +EF 10 118B 0 74,-1.8 74,-3.1 -2,-0.3 2,-0.3 -0.984 19.6 125.9-158.3 157.7 36.7 17.7 56.4 45 46 A G E -EF 9 117B 0 -36,-2.6 -36,-2.3 -2,-0.3 2,-0.4 -0.904 45.4 -70.5 179.4-156.5 33.2 16.5 55.6 46 47 A L E -EF 8 116B 9 70,-1.9 70,-2.1 -2,-0.3 2,-0.6 -0.964 11.2-152.0-133.5 143.7 30.5 16.1 53.0 47 48 A D E -EF 7 115B 23 -40,-2.3 -40,-2.9 -2,-0.4 68,-0.2 -0.977 13.7-159.7-104.2 116.5 28.2 18.2 51.0 48 49 A F - 0 0 17 66,-3.2 67,-0.1 -2,-0.6 5,-0.1 0.666 51.6 -99.2 -73.1 -17.4 25.2 15.9 50.3 49 50 A G > - 0 0 19 65,-0.4 3,-2.5 3,-0.1 -1,-0.2 -0.170 49.6 -45.8 116.9 154.7 24.3 18.2 47.5 50 51 A E T 3 S+ 0 0 168 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.268 127.9 7.0 -52.4 130.6 21.9 21.1 46.7 51 52 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.531 103.4 116.6 70.4 3.5 18.4 20.2 47.9 52 53 A V < + 0 0 64 -3,-2.5 2,-0.4 62,-0.0 -4,-0.2 -0.925 36.6 172.1-107.0 125.7 19.6 17.0 49.7 53 54 A R - 0 0 128 -2,-0.5 85,-2.6 85,-0.2 2,-0.4 -1.000 9.1-167.8-131.0 135.9 19.3 16.8 53.5 54 55 A N E -BC 113 137A 14 59,-2.4 59,-3.0 -2,-0.4 2,-0.5 -0.943 21.5-132.8-121.3 146.2 19.9 13.8 55.7 55 56 A V E -BC 112 136A 26 81,-3.2 81,-2.1 -2,-0.4 2,-0.5 -0.840 30.9-134.9 -86.3 130.9 19.1 13.2 59.3 56 57 A I E + C 0 135A 1 55,-0.5 53,-0.5 -2,-0.5 79,-0.3 -0.787 33.2 166.6 -96.4 124.2 22.3 11.8 60.8 57 58 A T E + 0 0 29 77,-2.5 50,-2.3 -2,-0.5 2,-0.3 0.600 65.5 12.7-111.0 -16.1 21.8 8.7 63.1 58 59 A Q E -DC 106 134A 49 76,-1.5 76,-3.1 48,-0.3 2,-0.4 -0.985 54.0-159.9-159.0 149.1 25.4 7.5 63.5 59 60 A I E -DC 105 133A 0 46,-2.5 46,-2.9 -2,-0.3 2,-0.4 -0.990 10.4-168.1-127.4 137.5 28.9 8.6 62.9 60 61 A K E +DC 104 132A 56 72,-2.5 72,-2.7 -2,-0.4 2,-0.3 -0.978 12.2 168.1-123.4 145.0 31.9 6.3 62.6 61 62 A F E -DC 103 131A 4 42,-1.9 42,-3.1 -2,-0.4 70,-0.2 -0.992 22.4-155.6-149.3 160.0 35.5 7.2 62.6 62 63 A C E - C 0 130A 1 68,-2.1 67,-2.6 -2,-0.3 68,-1.7 -1.000 24.0-130.8-138.4 129.0 39.0 5.8 62.9 63 64 A P - 0 0 1 0, 0.0 37,-0.4 0, 0.0 2,-0.4 -0.305 36.8 -87.2 -70.6 162.8 42.0 7.8 64.2 64 65 A R > - 0 0 35 3,-0.3 3,-2.6 63,-0.3 6,-0.2 -0.566 57.4-101.5 -65.8 127.3 45.3 8.0 62.4 65 66 A S T 3 S+ 0 0 80 -2,-0.4 -1,-0.1 -35,-0.3 63,-0.0 -0.318 107.0 12.3 -56.7 126.5 47.3 5.0 63.7 66 67 A G T 3 S+ 0 0 46 -3,-0.0 -1,-0.3 -2,-0.0 3,-0.1 0.321 122.1 68.9 88.2 -5.1 49.8 6.2 66.3 67 68 A Y X + 0 0 88 -3,-2.6 3,-1.5 1,-0.1 -3,-0.3 -0.093 52.8 129.5-133.7 33.5 48.2 9.7 66.5 68 69 A E G > + 0 0 23 1,-0.3 3,-1.8 -5,-0.2 4,-0.3 0.825 67.3 65.6 -60.5 -32.6 44.9 8.7 68.2 69 70 A Q G > S+ 0 0 102 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.791 86.1 72.9 -60.6 -26.9 45.4 11.5 70.8 70 71 A R G < S+ 0 0 74 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.592 91.6 56.7 -71.1 -7.1 45.0 14.0 68.0 71 72 A M G X S+ 0 0 0 -3,-1.8 3,-2.5 -4,-0.2 -1,-0.3 0.593 75.7 111.5 -92.2 -16.3 41.3 13.3 67.8 72 73 A I T < S+ 0 0 72 -3,-1.5 22,-0.2 -4,-0.3 3,-0.1 -0.467 87.0 18.3 -67.8 130.1 40.4 14.1 71.4 73 74 A G T 3 S+ 0 0 40 20,-2.9 -1,-0.3 1,-0.4 21,-0.1 0.240 92.1 134.1 92.7 -13.1 38.4 17.3 71.5 74 75 A G < - 0 0 0 -3,-2.5 19,-2.8 47,-0.1 -1,-0.4 -0.374 40.8-154.9 -63.6 152.4 37.5 17.0 67.8 75 76 A I E -GH 92 119B 31 44,-1.9 44,-3.0 17,-0.2 2,-0.4 -0.896 11.4-138.6-127.3 160.3 33.7 17.6 67.1 76 77 A F E -GH 91 118B 0 15,-2.4 14,-3.0 -2,-0.3 15,-1.2 -0.953 25.9-170.8-118.3 138.0 31.3 16.6 64.4 77 78 A Q E -GH 89 117B 23 40,-2.4 40,-2.0 -2,-0.4 2,-0.4 -0.952 17.0-152.4-129.8 149.1 28.8 19.2 63.1 78 79 A G E +GH 88 116B 0 10,-2.2 10,-1.9 -2,-0.3 2,-0.3 -0.918 27.9 159.8-113.6 150.9 25.8 19.3 60.9 79 80 A A E - H 0 115B 0 36,-2.7 36,-2.8 -2,-0.4 35,-0.8 -0.977 44.4-144.2-158.1 167.4 24.8 22.4 59.0 80 81 A N S S+ 0 0 60 -2,-0.3 2,-0.4 34,-0.2 -1,-0.1 0.204 88.1 69.9-122.7 16.2 22.9 23.9 56.1 81 82 A K S > S- 0 0 104 34,-0.1 3,-2.2 1,-0.1 5,-0.2 -0.996 78.8-136.4-128.0 135.5 25.4 26.6 55.3 82 83 A E T 3 S+ 0 0 137 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.675 106.9 56.8 -63.9 -19.9 28.7 25.6 53.8 83 84 A D T 3 S- 0 0 99 -3,-0.0 -1,-0.3 1,-0.0 4,-0.1 0.394 105.6-131.9 -88.6 3.1 30.5 28.0 56.2 84 85 A F X + 0 0 9 -3,-2.2 3,-1.6 1,-0.1 -2,-0.1 0.649 63.5 136.1 61.6 16.9 28.9 26.2 59.1 85 86 A S T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -6,-0.0 -3,-0.1 0.774 77.1 44.8 -67.6 -20.6 27.7 29.4 60.8 86 87 A D T 3 S+ 0 0 67 -5,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.282 92.4 138.5 -99.4 14.9 24.4 27.7 61.5 87 88 A A < - 0 0 28 -3,-1.6 2,-0.4 -6,-0.1 -8,-0.2 -0.072 38.5-159.4 -67.4 155.3 26.1 24.4 62.7 88 89 A V E -G 78 0B 56 -10,-1.9 -10,-2.2 0, 0.0 2,-0.5 -0.971 27.7-112.6-126.4 147.2 25.1 22.3 65.7 89 90 A T E -G 77 0B 66 -2,-0.4 -12,-0.3 -12,-0.2 3,-0.1 -0.662 27.6-175.2 -82.1 123.8 27.5 19.9 67.3 90 91 A L E - 0 0 22 -14,-3.0 2,-0.3 -2,-0.5 18,-0.3 0.742 68.3 -8.4 -88.4 -30.1 26.4 16.3 66.8 91 92 A F E -G 76 0B 65 -15,-1.2 -15,-2.4 16,-0.1 2,-0.4 -0.936 56.6-146.4-166.3 145.4 29.1 14.7 68.9 92 93 A T E -G 75 0B 64 -2,-0.3 2,-0.6 -17,-0.2 -17,-0.2 -0.985 21.3-130.7-119.4 131.3 32.3 15.6 70.8 93 94 A I + 0 0 4 -19,-2.8 -20,-2.9 -2,-0.4 3,-0.1 -0.636 38.4 158.3 -80.6 117.3 35.2 13.2 71.1 94 95 A T + 0 0 111 -2,-0.6 2,-0.3 -22,-0.2 -1,-0.2 0.535 54.6 52.0-120.1 -11.4 36.2 13.1 74.7 95 96 A S S S- 0 0 81 -24,-0.1 -22,-0.1 0, 0.0 -1,-0.1 -0.887 95.9 -86.2-126.1 160.3 38.0 9.8 75.1 96 97 A L - 0 0 99 -2,-0.3 2,-0.1 1,-0.1 -27,-0.1 -0.448 46.9-128.6 -63.3 121.8 40.9 8.2 73.2 97 98 A P - 0 0 9 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 -0.454 28.1-101.0 -73.3 143.6 39.6 6.4 70.1 98 99 A G > - 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