==== 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 SUGAR BINDING PROTEIN 21-JUL-04 1WMX . COMPND 2 MOLECULE: COG3291: FOG: PKD REPEAT; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR Y.HORIGUCHI,M.KONO,A.SUZUKI,T.YAMANE,M.ARAI,K.SAKKA,K.OMIYA . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 60.1 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 . 128 34.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 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 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 . 5 0 2 2 8 4 2 0 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 0 2 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 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 8 A L 0 0 115 0, 0.0 171,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 144.1 24.3 45.8 29.4 2 9 A L - 0 0 140 169,-0.1 2,-0.1 1,-0.1 168,-0.0 -0.413 360.0-114.1 -70.7 143.8 20.9 44.2 28.8 3 10 A D - 0 0 88 -2,-0.1 2,-0.7 168,-0.1 168,-0.2 -0.464 15.4-143.0 -76.4 149.8 18.4 44.3 31.6 4 11 A V E -A 170 0A 5 166,-2.4 166,-1.9 -2,-0.1 2,-0.3 -0.892 17.6-155.6-115.8 96.3 17.4 41.0 33.3 5 12 A Q E +A 169 0A 77 -2,-0.7 164,-0.3 164,-0.2 3,-0.1 -0.578 19.9 172.5 -74.6 129.5 13.7 41.4 34.1 6 13 A I E + 0 0 15 162,-2.8 2,-0.4 1,-0.4 163,-0.2 0.824 70.0 11.5-102.4 -51.3 12.6 39.1 36.9 7 14 A F E +A 168 0A 2 161,-2.0 161,-0.9 1,-0.1 -1,-0.4 -0.998 64.2 137.8-132.6 134.6 9.0 40.3 37.5 8 15 A K S S- 0 0 97 -2,-0.4 159,-0.4 2,-0.3 -1,-0.1 0.503 82.2 -26.0-134.9 -64.2 6.9 42.6 35.3 9 16 A D S S+ 0 0 62 1,-0.1 34,-0.1 32,-0.1 -2,-0.1 0.353 110.6 54.0-144.8 7.4 3.3 41.5 34.9 10 17 A S S S- 0 0 65 32,-0.1 -2,-0.3 1,-0.0 -1,-0.1 -0.973 86.5 -67.4-147.9 162.6 2.9 37.8 35.4 11 18 A P - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.061 48.0-133.5 -46.5 138.8 3.6 34.7 37.7 12 19 A V - 0 0 14 18,-0.3 18,-0.2 -5,-0.0 2,-0.1 -0.852 14.6-121.7-103.0 131.2 7.2 33.8 38.1 13 20 A V S S+ 0 0 88 -2,-0.5 49,-1.9 49,-0.1 2,-0.3 -0.465 70.5 80.9 -67.2 138.5 8.3 30.2 37.8 14 21 A G E S-G 61 0B 15 47,-0.2 2,-0.4 -2,-0.1 47,-0.2 -0.987 77.7 -72.7 161.1-153.6 10.0 29.0 41.0 15 22 A W E +G 60 0B 40 45,-1.4 45,-2.4 -2,-0.3 2,-0.4 -0.953 37.0 169.8-146.7 124.2 9.2 27.8 44.4 16 23 A S E +G 59 0B 0 12,-1.6 2,-0.3 -2,-0.4 43,-0.2 -0.967 24.6 121.4-127.5 144.5 7.8 29.7 47.4 17 24 A G E -G 58 0B 6 41,-2.3 41,-2.5 -2,-0.4 2,-0.3 -0.961 35.8-140.0-177.0-169.2 6.5 28.0 50.5 18 25 A S E -G 57 0B 19 -2,-0.3 3,-0.5 39,-0.2 39,-0.2 -0.975 38.3 -91.1-166.7 166.7 6.8 27.6 54.3 19 26 A G S S+ 0 0 30 37,-1.9 38,-0.1 -2,-0.3 -1,-0.1 0.816 120.9 10.3 -58.3 -33.6 6.8 25.1 57.1 20 27 A M S S- 0 0 134 36,-0.4 -1,-0.2 -3,-0.0 37,-0.1 0.078 112.7 -88.8-138.9 27.1 3.1 25.4 57.7 21 28 A G S S+ 0 0 50 -3,-0.5 28,-0.1 1,-0.1 4,-0.1 0.737 79.7 136.5 79.4 22.4 1.5 27.4 54.9 22 29 A E + 0 0 7 34,-0.2 27,-3.1 26,-0.1 2,-0.5 0.816 57.5 74.7 -68.6 -31.7 2.1 30.9 56.6 23 30 A L B S-B 48 0A 4 25,-0.3 2,-0.5 26,-0.1 25,-0.3 -0.733 91.6-123.4 -86.9 127.3 3.2 32.2 53.3 24 31 A E + 0 0 46 23,-3.0 23,-0.4 -2,-0.5 2,-0.3 -0.580 48.2 154.1 -73.0 121.2 0.4 32.9 50.9 25 32 A T - 0 0 47 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.922 31.2-160.4-143.4 168.0 1.1 30.9 47.7 26 33 A I S S+ 0 0 120 3,-2.1 3,-0.5 -2,-0.3 -2,-0.0 -0.913 86.2 3.3-154.6 121.9 -0.6 29.4 44.7 27 34 A G S S- 0 0 75 -2,-0.3 3,-0.1 1,-0.2 -11,-0.0 0.794 129.4 -68.8 67.5 26.7 1.0 26.8 42.5 28 35 A D S S+ 0 0 85 1,-0.2 -12,-1.6 -13,-0.1 2,-0.3 0.843 117.3 90.2 57.5 43.6 3.9 27.0 44.9 29 36 A T S S- 0 0 18 -3,-0.5 -3,-2.1 -14,-0.2 -1,-0.2 -0.959 87.4 -72.0-155.0 163.2 4.8 30.6 43.8 30 37 A L - 0 0 2 -2,-0.3 -18,-0.3 -5,-0.2 -5,-0.2 -0.289 51.2-112.6 -63.2 137.9 3.9 34.1 44.8 31 38 A P - 0 0 11 0, 0.0 14,-2.4 0, 0.0 2,-0.7 -0.436 21.5-129.7 -69.0 144.9 0.4 35.4 43.9 32 39 A V E -C 44 0A 40 12,-0.2 2,-0.5 -2,-0.1 12,-0.2 -0.883 21.5-143.7 -98.2 114.8 0.2 38.2 41.3 33 40 A D E +C 43 0A 10 10,-2.5 10,-2.7 -2,-0.7 131,-0.0 -0.665 21.6 178.3 -83.0 125.1 -2.0 41.0 42.7 34 41 A T E S+ 0 0 111 -2,-0.5 -1,-0.1 8,-0.2 3,-0.1 0.423 77.6 57.8-108.3 -1.8 -4.1 42.6 40.1 35 42 A T E S+ 0 0 119 1,-0.2 2,-0.8 8,-0.1 -1,-0.1 0.819 101.1 64.9 -89.9 -34.5 -6.0 45.1 42.2 36 43 A V E S+ 0 0 31 7,-0.1 7,-0.8 2,-0.0 2,-0.2 -0.833 74.7 163.0 -95.7 109.0 -2.6 46.6 43.4 37 44 A T E -C 42 0A 61 -2,-0.8 2,-0.3 5,-0.2 -3,-0.1 -0.580 22.1-172.1-118.4 171.3 -1.1 48.1 40.4 38 45 A Y E > S+C 41 0A 70 3,-1.9 3,-1.7 -2,-0.2 -2,-0.0 -0.814 74.0 4.1-174.1 132.3 1.6 50.5 39.7 39 46 A N T 3 S- 0 0 115 1,-0.3 127,-0.0 -2,-0.3 0, 0.0 0.857 128.6 -63.1 53.5 38.1 2.7 52.2 36.5 40 47 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.192 116.8 106.8 77.8 -17.7 -0.2 50.4 34.8 41 48 A L E < S-C 38 0A 48 -3,-1.7 -3,-1.9 1,-0.1 -1,-0.2 -0.605 73.8-109.5 -96.5 153.2 1.2 46.9 35.6 42 49 A P E -C 37 0A 27 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.170 37.0-126.0 -66.6 171.9 0.1 44.3 38.2 43 50 A T E -C 33 0A 0 -10,-2.7 -10,-2.5 -7,-0.8 2,-0.5 -0.849 7.6-117.1-125.8 161.0 2.2 43.7 41.3 44 51 A L E -CD 32 165A 1 121,-1.9 121,-2.8 -2,-0.3 2,-0.6 -0.841 30.3-147.5 -97.0 123.1 3.9 40.7 43.0 45 52 A R E - D 0 164A 47 -14,-2.4 2,-0.7 -2,-0.5 119,-0.2 -0.853 14.1-170.7-106.1 120.7 2.5 40.1 46.5 46 53 A L E + D 0 163A 0 117,-2.3 117,-2.2 -2,-0.6 2,-0.4 -0.931 21.9 168.2-104.9 105.4 4.7 38.7 49.2 47 54 A N E - D 0 162A 25 -2,-0.7 -23,-3.0 -23,-0.4 2,-0.7 -0.858 26.5-173.8-136.4 100.9 2.4 37.9 52.1 48 55 A V E -BD 23 161A 1 113,-1.1 113,-2.1 -2,-0.4 -25,-0.3 -0.856 18.5-163.4 -85.8 115.5 3.1 35.8 55.3 49 56 A Q + 0 0 104 -27,-3.1 2,-0.3 -2,-0.7 -26,-0.1 0.389 59.5 22.9 -86.5 -7.3 -0.4 35.7 56.7 50 57 A T S S- 0 0 77 -28,-0.3 2,-0.1 111,-0.1 111,-0.1 -0.986 98.7 -75.1-158.6 152.5 0.4 34.7 60.4 51 58 A T - 0 0 94 -2,-0.3 2,-0.6 1,-0.1 108,-0.2 -0.366 62.8-135.0 -51.0 115.7 3.2 34.8 63.0 52 59 A V + 0 0 0 106,-2.1 -1,-0.1 -2,-0.1 3,-0.1 -0.663 38.7 164.9 -85.4 115.1 5.1 31.9 61.4 53 60 A Q + 0 0 136 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.1 -0.017 53.3 95.0-126.2 41.7 6.6 29.2 63.6 54 61 A S S S- 0 0 16 2,-0.2 -1,-0.1 265,-0.0 3,-0.1 0.874 104.1-111.4 -76.2 -31.1 7.4 26.5 61.3 55 62 A G S S+ 0 0 33 -3,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.030 82.7 47.0 125.0 -17.4 10.8 28.1 61.4 56 63 A W + 0 0 53 102,-0.0 -37,-1.9 98,-0.0 -36,-0.4 -0.997 37.8 176.1-162.7 155.0 10.6 29.3 57.8 57 64 A W E +G 18 0B 3 -2,-0.3 98,-2.0 -39,-0.2 2,-0.3 -0.944 24.4 176.8-154.4 138.5 9.1 30.8 54.7 58 65 A I E -GH 17 154B 21 -41,-2.5 -41,-2.3 -2,-0.3 2,-0.4 -0.996 18.9-157.5-149.2 152.6 11.0 31.3 51.4 59 66 A S E -GH 16 153B 0 94,-2.6 94,-1.9 -2,-0.3 2,-0.6 -0.974 6.7-168.9-135.7 119.0 10.4 32.5 47.9 60 67 A L E -GH 15 152B 0 -45,-2.4 -45,-1.4 -2,-0.4 2,-0.7 -0.940 2.9-171.5-110.4 116.1 12.6 31.5 45.0 61 68 A L E -GH 14 151B 0 90,-2.7 90,-3.0 -2,-0.6 -47,-0.2 -0.918 19.4-139.7-109.4 107.4 12.0 33.5 41.8 62 69 A T E - H 0 150B 8 -49,-1.9 88,-0.2 -2,-0.7 -49,-0.1 -0.337 10.1-157.1 -67.6 146.6 13.9 31.9 38.9 63 70 A L S S+ 0 0 13 86,-2.5 -1,-0.1 4,-0.3 87,-0.1 0.801 96.4 15.8 -88.3 -34.8 15.7 34.2 36.5 64 71 A R S > S- 0 0 123 85,-0.6 3,-1.9 3,-0.5 -1,-0.1 -0.261 120.1 -84.6-133.9 46.6 15.7 31.5 33.7 65 72 A G T 3 S- 0 0 39 1,-0.3 -51,-0.1 -52,-0.2 3,-0.1 0.839 97.7 -43.4 53.2 39.1 13.2 28.9 34.8 66 73 A W T 3 S+ 0 0 68 83,-0.4 -1,-0.3 1,-0.4 2,-0.1 0.147 110.9 120.9 92.4 -14.3 15.7 27.1 37.0 67 74 A N S < S- 0 0 121 -3,-1.9 -3,-0.5 82,-0.1 -1,-0.4 -0.510 73.3-102.5 -75.3 150.9 18.6 27.3 34.5 68 75 A T - 0 0 67 -2,-0.1 2,-0.4 -3,-0.1 81,-0.2 -0.432 35.5-148.9 -72.0 149.9 21.7 29.1 35.7 69 76 A H B -I 148 0B 31 79,-2.9 79,-1.6 -2,-0.1 2,-0.9 -0.988 13.3-123.7-127.2 132.2 22.2 32.6 34.4 70 77 A D + 0 0 87 -2,-0.4 76,-0.3 77,-0.2 3,-0.2 -0.604 41.0 155.8 -76.5 101.8 25.5 34.4 33.8 71 78 A L > + 0 0 0 74,-2.4 3,-0.9 -2,-0.9 4,-0.5 0.041 35.7 112.9-113.5 23.8 25.5 37.7 35.8 72 79 A S G > S+ 0 0 36 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.942 74.8 53.5 -62.5 -47.0 29.3 38.1 36.1 73 80 A Q G 3 S+ 0 0 131 1,-0.3 4,-0.4 -3,-0.2 -1,-0.2 0.593 106.3 58.5 -64.8 -8.2 29.5 41.2 33.9 74 81 A Y G <> S+ 0 0 17 -3,-0.9 4,-1.7 71,-0.1 59,-0.3 0.554 81.1 82.8 -97.9 -10.8 26.8 42.8 36.2 75 82 A V T <4 S+ 0 0 11 -3,-1.6 59,-0.5 -4,-0.5 -2,-0.1 0.913 88.5 51.4 -60.7 -46.1 28.7 42.6 39.5 76 83 A E T 4 S+ 0 0 94 -4,-0.4 -1,-0.2 1,-0.2 58,-0.1 0.929 134.8 0.3 -60.2 -53.9 30.7 45.7 39.1 77 84 A N T 4 S+ 0 0 81 -4,-0.4 -1,-0.2 56,-0.1 -2,-0.2 0.282 102.4 119.4-122.3 10.3 28.1 48.3 38.3 78 85 A G < - 0 0 1 -4,-1.7 55,-2.5 94,-0.2 56,-0.5 -0.415 39.4-168.3 -79.6 153.2 25.0 46.2 38.3 79 86 A Y E -EF 132 171A 74 92,-3.4 92,-2.5 53,-0.3 2,-0.6 -0.945 23.5-131.9-136.1 151.4 22.0 46.7 40.5 80 87 A L E -EF 131 170A 1 51,-2.4 51,-2.7 -2,-0.4 2,-0.3 -0.968 38.5-175.6 -98.9 116.5 19.0 44.9 41.5 81 88 A E E +EF 130 169A 25 88,-2.6 88,-2.9 -2,-0.6 2,-0.3 -0.836 17.0 136.5-122.3 158.2 16.1 47.3 41.3 82 89 A F E -E 129 0A 2 47,-1.3 47,-2.5 -2,-0.3 2,-0.4 -0.914 43.4-110.3 177.2 164.4 12.4 47.3 42.0 83 90 A D E -EF 128 166A 10 83,-2.4 83,-1.5 -2,-0.3 2,-0.3 -0.887 37.2-179.1-111.4 145.9 9.7 49.4 43.6 84 91 A I E +EF 127 165A 0 43,-3.5 43,-1.3 -2,-0.4 2,-0.3 -0.967 15.8 170.8-145.4 159.5 8.1 48.4 46.9 85 92 A K E - F 0 164A 36 79,-0.9 79,-2.1 -2,-0.3 39,-0.2 -0.935 21.1-137.8-164.4 150.2 5.4 49.4 49.4 86 93 A G E - F 0 163A 0 37,-2.2 77,-0.2 -2,-0.3 -2,-0.0 -0.609 19.3-121.8-117.5 173.1 3.9 47.7 52.4 87 94 A K S S- 0 0 118 75,-2.1 76,-0.1 -2,-0.2 -1,-0.1 0.803 109.1 -2.0 -81.9 -34.5 0.5 47.2 54.0 88 95 A E S S- 0 0 133 74,-0.3 36,-0.2 35,-0.1 2,-0.1 0.616 108.3-110.9-130.5 -31.1 1.4 48.8 57.3 89 96 A G S S+ 0 0 29 73,-0.2 34,-0.2 34,-0.2 3,-0.1 -0.138 84.2 63.5 119.9 162.5 5.1 49.8 57.0 90 97 A G + 0 0 55 32,-2.9 33,-0.1 1,-0.2 27,-0.1 0.571 65.2 166.6 67.1 5.8 8.7 49.0 58.3 91 98 A E - 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