==== 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 SUGAR BINDING PROTEIN 06-OCT-09 3K4Z . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 9; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM DSM 4150; . AUTHOR P.M.ALAHUHTA,Q.XU,M.E.HIMMEL,V.V.LUNIN . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 35.6 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 . 1 0.4 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 . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 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 PARALLEL BRIDGES PER LADDER . 2 3 3 1 2 3 1 1 1 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 . 1 1 2 1 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 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 1 A M 0 0 77 0, 0.0 190,-0.1 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 132.8 22.0 10.3 28.2 2 2 A L + 0 0 115 2,-0.0 189,-0.0 17,-0.0 0, 0.0 0.862 360.0 104.5 -74.8 -30.9 21.4 12.5 31.3 3 3 A E - 0 0 76 1,-0.1 15,-0.0 2,-0.1 16,-0.0 -0.195 52.4-167.2 -49.1 131.5 19.6 15.3 29.4 4 4 A D - 0 0 9 2,-0.1 -1,-0.1 19,-0.0 3,-0.1 0.471 20.1-140.5-104.2 -10.7 15.8 15.0 30.0 5 5 A N - 0 0 31 1,-0.2 2,-0.1 2,-0.0 -2,-0.1 0.819 28.9-172.5 49.8 36.6 14.4 17.3 27.4 6 6 A S - 0 0 25 1,-0.1 -1,-0.2 4,-0.1 6,-0.1 -0.388 18.6-150.8 -56.6 133.2 11.8 18.6 29.9 7 7 A S S S+ 0 0 92 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.364 90.0 31.9 -90.7 5.6 9.3 20.8 28.0 8 8 A T S S+ 0 0 102 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.518 100.9 78.9-131.5 -16.9 8.6 23.0 31.0 9 9 A L S S- 0 0 21 1,-0.2 3,-0.2 159,-0.0 159,-0.0 -0.645 85.9 -94.6 -88.3 159.5 11.7 23.2 33.2 10 10 A P S S- 0 0 16 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.043 70.9 -51.9 -61.8 172.9 14.7 25.4 32.6 11 11 A P > - 0 0 62 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.210 44.1-138.4 -58.1 134.3 17.6 24.0 30.7 12 12 A Y G > S+ 0 0 13 1,-0.2 3,-2.0 2,-0.2 165,-0.1 0.874 101.8 62.1 -52.9 -40.1 19.0 20.7 32.1 13 13 A K G 3 S+ 0 0 114 1,-0.3 164,-2.5 163,-0.1 -1,-0.2 0.822 106.3 46.0 -62.4 -26.2 22.6 21.8 31.6 14 14 A N G < S+ 0 0 13 -3,-1.1 158,-2.2 162,-0.2 2,-0.4 0.210 92.4 101.5 -97.5 9.6 22.0 24.7 34.1 15 15 A D B < -A 171 0A 0 -3,-2.0 156,-0.2 156,-0.2 162,-0.1 -0.831 63.2-150.3 -98.3 135.6 20.2 22.5 36.7 16 16 A L S S+ 0 0 4 154,-2.8 2,-0.2 -2,-0.4 -1,-0.1 0.688 79.4 82.8 -74.2 -14.4 22.2 21.4 39.8 17 17 A L - 0 0 0 153,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.593 64.0-158.2 -95.4 147.6 20.0 18.3 39.8 18 18 A Y S S+ 0 0 66 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.620 83.0 37.6 -99.3 -21.3 20.6 15.2 37.7 19 19 A E + 0 0 17 1,-0.1 -1,-0.3 8,-0.1 -16,-0.1 -0.986 59.1 147.7-133.4 128.2 17.1 13.8 37.7 20 20 A R S S+ 0 0 1 -2,-0.4 148,-2.0 -3,-0.1 147,-0.6 0.637 71.9 34.4-127.3 -37.0 14.0 16.1 37.5 21 21 A T - 0 0 3 146,-0.2 33,-0.4 145,-0.2 146,-0.1 0.755 68.8-156.2 -99.3 -31.4 11.2 14.4 35.7 22 22 A F > + 0 0 0 4,-0.1 3,-2.0 1,-0.1 33,-0.1 0.476 51.6 130.9 60.0 10.3 11.4 10.7 36.5 23 23 A D T 3 + 0 0 16 1,-0.3 177,-2.2 2,-0.1 -1,-0.1 0.714 63.4 58.3 -74.4 -18.2 9.6 10.0 33.2 24 24 A E T 3 S- 0 0 47 175,-0.3 172,-0.5 2,-0.2 -1,-0.3 0.460 119.8-107.6 -84.4 -0.2 12.0 7.4 32.0 25 25 A G S < S+ 0 0 17 -3,-2.0 2,-0.3 1,-0.3 19,-0.2 0.540 85.4 109.4 88.5 3.7 11.3 5.3 35.2 26 26 A L - 0 0 99 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 -0.869 40.2-178.2-108.5 148.0 14.7 6.0 36.9 27 27 A C > + 0 0 15 -2,-0.3 3,-2.1 3,-0.1 -1,-0.1 0.572 26.1 160.6-119.4 -14.3 15.3 8.2 40.0 28 28 A Y T 3 + 0 0 193 1,-0.3 3,-0.1 -10,-0.1 -6,-0.1 -0.235 64.8 28.1 -59.6 138.7 19.0 8.1 40.5 29 29 A P T 3 S+ 0 0 22 0, 0.0 46,-0.4 0, 0.0 -1,-0.3 -0.945 106.0 87.8 -84.7 2.1 20.6 10.1 42.2 30 30 A W < + 0 0 3 -3,-2.1 2,-0.3 44,-0.1 44,-0.2 -0.456 58.4 156.2 -58.1 137.2 17.4 10.7 44.3 31 31 A H E -F 73 0B 59 42,-2.1 42,-2.4 -2,-0.1 2,-0.2 -0.934 37.2-107.6-157.4 165.5 17.3 8.2 47.1 32 32 A T E -F 72 0B 25 -2,-0.3 2,-0.4 40,-0.2 40,-0.2 -0.652 18.8-156.0 -92.8 163.6 15.8 7.7 50.6 33 33 A C E -F 71 0B 28 38,-1.6 38,-2.2 -2,-0.2 2,-0.5 -0.990 2.6-161.5-138.8 137.2 17.4 7.8 54.1 34 34 A E E +F 70 0B 90 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.989 22.3 162.0-117.0 125.7 16.1 6.0 57.1 35 35 A D > + 0 0 72 34,-2.4 3,-2.6 -2,-0.5 30,-0.3 -0.951 52.1 8.8-143.8 156.6 17.3 7.2 60.5 36 36 A S T 3 S- 0 0 42 -2,-0.3 29,-2.4 1,-0.3 30,-0.3 0.800 136.7 -34.7 39.1 55.5 16.4 7.0 64.3 37 37 A G T 3 S+ 0 0 40 1,-0.3 27,-0.5 27,-0.2 -1,-0.3 0.300 103.3 139.2 89.6 -8.7 13.5 4.5 63.8 38 38 A G E < -B 63 0A 2 -3,-2.6 2,-0.4 25,-0.2 -1,-0.3 -0.426 28.1-175.6 -72.1 143.9 12.3 5.8 60.4 39 39 A K E +B 62 0A 112 23,-2.4 22,-2.7 -2,-0.1 23,-1.8 -0.999 11.4 149.4-140.1 138.1 11.3 3.4 57.6 40 40 A C E -B 60 0A 7 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.974 25.0-148.3-156.3 168.2 10.3 3.9 54.1 41 41 A S E -B 59 0A 52 18,-1.7 18,-2.4 -2,-0.3 2,-0.3 -0.882 17.0-153.0-132.9 165.6 10.3 2.4 50.6 42 42 A F E +B 58 0A 104 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.978 18.8 156.2-145.9 156.4 10.6 4.0 47.1 43 43 A D E -B 57 0A 104 14,-1.9 14,-3.1 -2,-0.3 2,-0.5 -0.924 39.1-112.5-157.3 172.9 9.6 3.5 43.5 44 44 A V E +B 56 0A 19 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.996 46.0 173.1-116.2 124.4 9.0 5.5 40.3 45 45 A V E -B 55 0A 41 10,-2.1 10,-2.4 -2,-0.5 -20,-0.1 -0.913 35.5 -95.7-134.7 157.2 5.3 5.3 39.2 46 46 A D E -B 54 0A 99 -2,-0.3 8,-0.3 8,-0.2 -23,-0.0 -0.360 38.0-126.6 -67.9 150.4 2.9 6.6 36.7 47 47 A V > - 0 0 10 6,-2.4 3,-2.1 3,-0.5 6,-0.3 -0.903 21.3-123.4-103.3 115.4 0.8 9.6 37.9 48 48 A P T 3 S+ 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.246 97.4 18.4 -56.9 134.0 -3.0 9.2 37.5 49 49 A G T 3 S+ 0 0 77 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.408 111.5 82.2 79.2 0.9 -4.5 12.0 35.4 50 50 A Q S X S- 0 0 70 -3,-2.1 3,-2.3 3,-0.2 -3,-0.5 -0.600 72.2-156.0-133.4 75.9 -1.1 12.9 33.9 51 51 A P T 3 S+ 0 0 135 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.165 78.7 16.9 -59.1 139.5 -0.5 10.4 31.0 52 52 A G T 3 S+ 0 0 59 1,-0.2 2,-0.5 193,-0.0 148,-0.1 0.218 102.0 113.9 86.8 -18.4 3.2 9.9 30.2 53 53 A N < - 0 0 19 -3,-2.3 -6,-2.4 -6,-0.3 2,-0.3 -0.807 43.1-174.3 -97.1 130.5 4.3 11.4 33.6 54 54 A K E -B 46 0A 15 -2,-0.5 2,-0.3 -33,-0.4 -8,-0.2 -0.831 6.9-157.0-114.5 156.3 6.0 9.4 36.3 55 55 A A E -B 45 0A 0 -10,-2.4 -10,-2.1 -2,-0.3 2,-0.5 -0.928 27.3-107.2-131.4 143.6 6.9 10.6 39.8 56 56 A F E -BC 44 165A 0 109,-2.5 109,-2.7 -2,-0.3 2,-0.5 -0.720 42.5-159.9 -66.0 128.9 9.3 9.6 42.5 57 57 A A E -BC 43 164A 4 -14,-3.1 -14,-1.9 -2,-0.5 2,-0.6 -0.962 13.6-174.4-129.8 113.4 7.2 7.8 45.1 58 58 A V E -BC 42 163A 0 105,-2.8 105,-2.6 -2,-0.5 2,-0.6 -0.950 12.9-152.1-115.0 115.6 8.3 7.4 48.7 59 59 A T E -BC 41 162A 32 -18,-2.4 -18,-1.7 -2,-0.6 2,-0.4 -0.789 11.0-141.2 -90.5 117.1 6.1 5.3 50.9 60 60 A V E +BC 40 161A 0 101,-2.2 101,-1.4 -2,-0.6 -20,-0.2 -0.665 29.1 167.5 -74.5 125.1 6.4 6.3 54.6 61 61 A L E + 0 0 84 -22,-2.7 2,-0.3 1,-0.4 -21,-0.2 0.699 68.6 12.2-114.5 -34.0 6.3 3.0 56.6 62 62 A D E -B 39 0A 78 -23,-1.8 -23,-2.4 7,-0.1 -1,-0.4 -0.965 64.6-147.4-145.4 130.7 7.4 4.1 60.2 63 63 A K E -B 38 0A 75 -2,-0.3 90,-2.5 -25,-0.2 -25,-0.2 0.763 33.5-161.3 -74.7 -23.0 7.6 7.7 61.1 64 64 A G - 0 0 7 -27,-0.5 -27,-0.2 88,-0.2 -1,-0.1 -0.220 36.6 -62.3 66.4-161.3 10.5 7.2 63.5 65 65 A Q S S+ 0 0 157 -29,-2.4 2,-0.2 -30,-0.3 89,-0.2 0.772 109.3 32.6 -98.8 -27.6 11.6 9.7 66.2 66 66 A N S > S- 0 0 50 -30,-0.3 3,-1.6 -31,-0.3 87,-0.4 -0.757 81.9-107.3-130.2 166.1 12.6 12.9 64.4 67 67 A R G > S+ 0 0 52 1,-0.3 85,-2.7 -2,-0.2 3,-0.9 0.891 121.1 54.0 -66.6 -30.8 11.6 14.7 61.2 68 68 A W G 3 S+ 0 0 110 1,-0.2 -1,-0.3 82,-0.2 3,-0.1 0.347 80.9 94.4 -81.9 4.8 14.8 13.6 59.6 69 69 A S G < S+ 0 0 0 -3,-1.6 -34,-2.4 1,-0.2 2,-0.4 0.736 93.2 36.3 -67.0 -24.7 14.0 9.9 60.4 70 70 A V E < S+F 34 0B 0 -3,-0.9 81,-3.1 -4,-0.3 82,-0.8 -0.988 82.7 166.7-130.2 123.2 12.5 9.6 56.9 71 71 A Q E -FG 33 150B 15 -38,-2.2 -38,-1.6 -2,-0.4 2,-0.4 -0.968 30.1-163.2-136.1 149.5 14.1 11.5 54.0 72 72 A M E +FG 32 149B 0 77,-1.8 77,-2.2 -2,-0.3 2,-0.3 -0.992 37.4 155.8-127.9 130.6 14.2 11.8 50.3 73 73 A R E -FG 31 148B 27 -42,-2.4 -42,-2.1 -2,-0.4 2,-0.4 -0.938 43.4-141.7-152.5 166.5 17.2 13.6 49.0 74 74 A H E - G 0 147B 3 73,-1.5 73,-2.2 -2,-0.3 3,-0.2 -0.985 31.4-170.5-139.4 115.6 19.7 14.4 46.3 75 75 A R E + 0 0 94 -46,-0.4 71,-0.2 -2,-0.4 70,-0.1 -0.234 52.5 67.2-101.6-179.6 23.3 14.9 47.4 76 76 A G E + 0 0 64 69,-0.3 2,-0.3 1,-0.2 70,-0.2 0.671 67.3 145.6 85.5 18.6 26.5 16.2 45.8 77 77 A L E - G 0 145B 6 68,-2.3 68,-2.5 -3,-0.2 2,-0.5 -0.642 36.7-154.1 -98.5 150.4 25.4 19.8 45.3 78 78 A T E - 0 0 54 -2,-0.3 2,-0.5 66,-0.2 65,-0.2 -0.982 3.2-160.6-119.4 118.1 27.5 23.0 45.5 79 79 A L E - G 0 142B 0 63,-2.0 63,-2.2 -2,-0.5 2,-0.4 -0.906 18.6-146.1 -99.3 133.3 25.7 26.3 46.4 80 80 A E > - 0 0 59 -2,-0.5 3,-2.4 61,-0.2 57,-0.3 -0.839 17.3-108.8-110.9 130.2 28.0 29.2 45.3 81 81 A Q T 3 S+ 0 0 108 -2,-0.4 57,-0.2 1,-0.3 3,-0.1 -0.235 103.3 16.9 -60.4 137.5 28.2 32.5 47.1 82 82 A G T 3 S+ 0 0 51 55,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.253 98.1 124.2 84.9 -10.6 26.6 35.4 45.3 83 83 A H < - 0 0 25 -3,-2.4 54,-3.0 54,-0.4 2,-0.4 -0.533 55.0-137.3 -86.4 153.2 24.6 33.1 43.0 84 84 A T E -D 136 0A 65 52,-0.2 2,-0.4 -2,-0.2 90,-0.3 -0.892 19.9-160.9-107.5 128.8 20.8 33.2 42.7 85 85 A Y E -D 135 0A 0 50,-3.4 50,-2.0 -2,-0.4 2,-0.5 -0.899 9.6-147.5-115.8 143.0 18.9 29.8 42.6 86 86 A R E -DE 134 171A 88 85,-2.4 85,-2.5 -2,-0.4 2,-0.5 -0.952 13.3-157.1-110.2 126.5 15.5 29.0 41.4 87 87 A V E +DE 133 170A 0 46,-3.8 46,-2.2 -2,-0.5 2,-0.4 -0.846 18.2 167.8-107.9 122.7 13.6 26.2 43.2 88 88 A R E +DE 132 169A 55 81,-2.3 81,-3.3 -2,-0.5 2,-0.3 -0.996 8.5 134.7-136.2 138.0 10.8 24.4 41.4 89 89 A L E -D 131 0A 2 42,-1.6 42,-2.7 -2,-0.4 2,-0.4 -0.956 39.1-135.5-168.5 163.0 8.9 21.2 42.3 90 90 A K E +DE 130 166A 44 76,-2.3 76,-2.2 -2,-0.3 2,-0.3 -0.998 30.3 172.5-123.2 130.0 5.6 19.5 42.5 91 91 A I E +DE 129 165A 0 38,-2.6 38,-3.2 -2,-0.4 2,-0.3 -0.979 4.3 156.0-140.6 141.4 4.9 17.4 45.6 92 92 A W E - 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0 0 108 -3,-2.3 -2,-0.2 1,-0.2 2,-0.1 0.849 18.7-167.0 54.2 43.6 23.9 21.3 59.0 111 111 A A - 0 0 33 -4,-0.3 -6,-2.3 -7,-0.1 2,-0.5 -0.358 9.6-144.4 -56.3 132.2 23.7 24.9 57.8 112 112 A E E -I 104 0B 36 -8,-0.2 -8,-0.3 1,-0.1 3,-0.1 -0.900 20.6-179.6-109.4 128.0 20.4 25.5 55.9 113 113 A Y E S+ 0 0 29 -10,-2.9 2,-0.3 -2,-0.5 -9,-0.2 0.695 76.8 12.3-105.7 -26.0 20.6 27.8 52.9 114 114 A W E +I 103 0B 16 -11,-1.5 -11,-2.6 21,-0.1 -1,-0.4 -0.948 65.5 143.1-147.4 134.3 16.9 27.7 51.8 115 115 A N S > S- 0 0 11 -2,-0.3 4,-0.8 -13,-0.2 3,-0.4 0.085 76.3 -90.6-162.4 31.7 14.2 26.1 53.9 116 116 A N T >4 S- 0 0 41 1,-0.2 3,-1.2 2,-0.2 -14,-0.0 0.916 87.6 -58.6 48.9 45.9 11.0 28.1 53.5 117 117 A K T 34 S- 0 0 179 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.914 101.1 -55.8 47.7 48.2 12.1 30.3 56.5 118 118 A W T 34 S+ 0 0 163 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.637 107.1 128.6 70.7 18.3 12.2 27.3 58.8 119 119 A S << - 0 0 54 -3,-1.2 -18,-0.3 -4,-0.8 -1,-0.2 -0.925 53.4-134.0-113.8 128.7 8.6 26.3 58.1 120 120 A P - 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