==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 14-JUN-12 4FL4 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 9; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR M.A.CURRIE,J.J.ADAMS,F.FAUCHER,E.A.BAYER,Z.JIA,S.P.SMITH,MON . 2156 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 93923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1441 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 604 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 2 0.1 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 . 255 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 218 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 0.8 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 2 6 1 4 8 0 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 8 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 . 33 12 6 15 17 8 14 10 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 . 10 8 4 4 7 1 4 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 21 A H > 0 0 134 0, 0.0 3,-2.5 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 75.4 -62.3 12.5 88.8 2 22 A M T 3 + 0 0 43 1,-0.3 37,-0.1 2,-0.1 36,-0.1 -0.037 360.0 18.0 -39.4 113.8 -64.7 14.9 87.2 3 23 A G T 3 S+ 0 0 0 35,-1.5 2,-2.3 32,-0.2 -1,-0.3 0.252 78.1 125.1 109.8 -11.7 -67.3 12.9 85.4 4 24 A D X + 0 0 1 -3,-2.5 3,-2.6 1,-0.2 34,-0.2 -0.394 31.1 170.4 -80.9 68.1 -66.9 9.4 86.9 5 25 A V T 3 S+ 0 0 0 -2,-2.3 -1,-0.2 1,-0.3 34,-0.1 0.691 76.5 39.1 -54.6 -28.3 -70.6 9.3 87.8 6 26 A N T 3 S- 0 0 34 4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.276 106.4-127.5-107.3 8.4 -70.5 5.6 88.8 7 27 A D < + 0 0 81 -3,-2.6 -2,-0.1 -6,-0.1 28,-0.1 0.909 66.3 129.6 47.9 65.2 -67.1 5.8 90.5 8 28 A D S S- 0 0 71 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.206 83.3 -99.3-126.4 5.8 -65.2 3.0 88.7 9 29 A G S S+ 0 0 49 1,-0.3 2,-0.3 -5,-0.2 -5,-0.0 0.648 94.6 89.9 84.8 15.3 -62.2 5.1 87.8 10 30 A K - 0 0 59 -9,-0.1 2,-0.6 2,-0.0 -2,-0.4 -0.980 64.7-141.6-136.9 151.4 -63.2 5.7 84.2 11 31 A V + 0 0 29 -2,-0.3 2,-0.2 -7,-0.1 -7,-0.1 -0.890 50.2 128.2-113.2 102.1 -65.2 8.5 82.5 12 32 A N S >> S- 0 0 8 -2,-0.6 3,-1.5 -9,-0.2 4,-1.4 -0.787 74.0 -70.1-144.0-173.6 -67.4 6.9 79.7 13 33 A S H 3> S+ 0 0 0 1,-0.3 4,-1.9 -2,-0.2 5,-0.2 0.726 122.4 65.4 -56.2 -19.6 -70.8 6.4 78.1 14 34 A T H 3> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.918 99.5 50.3 -71.7 -38.1 -71.7 4.4 81.2 15 35 A D H <> S+ 0 0 0 -3,-1.5 4,-3.2 1,-0.2 5,-0.2 0.966 108.9 52.0 -58.9 -52.4 -71.4 7.5 83.4 16 36 A L H X S+ 0 0 1 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.865 110.8 46.7 -57.4 -39.9 -73.6 9.6 81.0 17 37 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.934 113.1 48.0 -70.9 -42.8 -76.4 7.0 81.0 18 38 A L H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 110.8 53.1 -59.1 -43.9 -76.4 6.6 84.7 19 39 A L H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.926 105.6 52.6 -57.6 -47.5 -76.4 10.3 85.1 20 40 A K H X S+ 0 0 22 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.883 112.0 47.3 -53.3 -40.6 -79.5 10.7 82.8 21 41 A R H X>S+ 0 0 22 -4,-1.8 5,-2.9 2,-0.2 6,-1.3 0.822 112.5 49.0 -71.8 -32.9 -81.2 8.2 85.0 22 42 A Y H ><5S+ 0 0 60 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.964 108.4 51.4 -72.1 -52.0 -80.1 9.9 88.2 23 43 A V H 3<5S+ 0 0 52 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.2 49.5 -54.1 -30.4 -81.3 13.3 87.0 24 44 A L H 3<5S- 0 0 93 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.699 111.2-126.2 -79.6 -15.8 -84.6 11.8 86.2 25 45 A K T <<5S+ 0 0 80 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.812 73.7 129.8 66.0 34.5 -84.6 10.2 89.7 26 46 A A S S- 0 0 37 1,-0.1 4,-1.7 0, 0.0 -2,-0.1 -0.986 71.7 -96.1-168.8 176.9 -70.8 7.0 96.6 33 53 A S H > S+ 0 0 114 -2,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.881 123.7 48.9 -72.7 -37.1 -70.1 10.3 98.1 34 54 A K H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 3,-0.5 0.915 103.8 62.4 -66.5 -43.8 -67.4 11.0 95.6 35 55 A A H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.943 100.5 50.5 -44.3 -63.2 -69.8 10.0 92.8 36 56 A E H X S+ 0 0 49 -4,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.836 113.4 48.1 -46.1 -38.2 -72.2 12.8 93.6 37 57 A K H >< S+ 0 0 61 -4,-1.1 3,-1.3 -3,-0.5 -1,-0.2 0.926 108.8 51.4 -70.8 -47.0 -69.3 15.2 93.4 38 58 A N H 3< S+ 0 0 11 -4,-3.0 -35,-1.5 1,-0.3 -33,-0.2 0.806 103.0 63.6 -54.1 -33.8 -68.0 13.7 90.2 39 59 A A H 3< S+ 0 0 0 -4,-2.3 2,-1.6 -5,-0.3 -1,-0.3 0.730 83.1 78.1 -70.0 -23.2 -71.4 14.3 88.8 40 60 A D X< + 0 0 21 -3,-1.3 3,-1.6 -4,-0.5 -1,-0.2 -0.564 57.7 167.7 -89.7 78.8 -71.3 18.1 89.2 41 61 A V T 3 S+ 0 0 0 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.696 72.2 49.1 -75.3 -23.2 -69.2 18.8 86.1 42 62 A N T 3 S- 0 0 39 4,-0.2 -1,-0.3 -3,-0.2 26,-0.1 0.111 105.6-126.3 -96.8 23.7 -69.7 22.6 85.9 43 63 A R < + 0 0 92 -3,-1.6 -2,-0.1 -6,-0.2 -3,-0.0 0.840 68.2 134.5 32.4 55.6 -68.9 22.8 89.7 44 64 A D S S- 0 0 85 2,-0.4 2,-1.2 0, 0.0 -1,-0.1 0.197 71.7-113.8-116.7 12.8 -72.2 24.7 90.2 45 65 A G S S+ 0 0 71 -5,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.256 89.8 84.3 85.6 -50.5 -73.5 22.9 93.3 46 66 A R - 0 0 171 -2,-1.2 2,-0.5 -4,-0.1 -2,-0.4 -0.545 65.8-146.3 -88.0 152.8 -76.5 21.4 91.6 47 67 A V + 0 0 34 -2,-0.2 2,-0.2 -7,-0.1 -7,-0.1 -0.930 49.2 111.2-118.2 106.1 -76.6 18.0 89.6 48 68 A N S >> S- 0 0 24 -2,-0.5 4,-1.6 -9,-0.2 3,-1.3 -0.758 78.4 -40.8-156.6-165.5 -79.0 18.2 86.7 49 69 A S H 3> S+ 0 0 80 1,-0.3 4,-1.2 -2,-0.2 5,-0.0 0.534 124.1 61.9 -58.3 -6.0 -79.7 18.3 82.9 50 70 A S H 3> S+ 0 0 57 2,-0.2 4,-2.8 3,-0.1 -1,-0.3 0.883 102.2 48.2 -84.5 -43.3 -76.7 20.7 82.5 51 71 A D H <> S+ 0 0 0 -3,-1.3 4,-3.5 2,-0.2 5,-0.3 0.945 110.5 54.4 -55.6 -49.9 -74.2 18.2 83.8 52 72 A V H X S+ 0 0 22 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.901 110.8 44.5 -49.8 -48.5 -75.8 15.7 81.4 53 73 A T H X S+ 0 0 64 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.908 115.1 48.2 -65.5 -41.3 -75.3 18.1 78.5 54 74 A I H X S+ 0 0 19 -4,-2.8 4,-1.6 2,-0.2 3,-0.3 0.965 114.0 44.8 -64.9 -51.8 -71.8 18.9 79.6 55 75 A L H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 3,-0.4 0.914 110.7 56.2 -56.9 -44.7 -70.7 15.3 80.1 56 76 A S H X S+ 0 0 22 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.895 111.0 44.0 -51.7 -42.3 -72.4 14.4 76.8 57 77 A R H <>S+ 0 0 147 -4,-1.8 5,-1.6 -3,-0.3 6,-1.1 0.681 109.8 54.2 -84.5 -20.2 -70.3 17.0 75.0 58 78 A Y H ><5S+ 0 0 71 -4,-1.6 3,-1.0 -3,-0.4 -1,-0.2 0.836 105.8 53.4 -77.1 -36.1 -67.0 16.0 76.7 59 79 A L H 3<5S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.884 107.2 50.9 -67.5 -36.4 -67.5 12.4 75.7 60 80 A I T 3<5S- 0 0 13 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.492 114.5-125.4 -77.4 -2.9 -67.9 13.6 72.1 61 81 A R T < 5S+ 0 0 79 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.598 77.4 125.4 68.1 13.2 -64.6 15.5 72.7 62 82 A V S - 0 0 142 -2,-0.3 3,-2.8 1,-0.1 105,-0.3 -0.840 56.7 -78.3-112.2 146.0 -75.3 6.6 -48.9 84 32 B V T 3 S+ 0 0 97 -2,-0.3 105,-0.2 1,-0.3 3,-0.1 -0.098 122.4 25.9 -38.5 114.9 -76.7 9.7 -47.1 85 33 B G T 3 S+ 0 0 45 103,-1.4 -1,-0.3 1,-0.4 2,-0.2 0.256 92.8 127.7 106.8 -8.2 -80.1 8.7 -45.7 86 34 B D < - 0 0 73 -3,-2.8 102,-3.2 101,-0.1 2,-0.7 -0.479 57.0-130.7 -76.9 151.8 -79.3 5.0 -45.5 87 35 B I E - C 0 187A 71 100,-0.2 100,-0.2 -2,-0.2 2,-0.2 -0.867 16.1-160.5-114.4 100.6 -79.9 3.2 -42.3 88 36 B L E - C 0 186A 12 98,-2.5 98,-3.1 -2,-0.7 2,-0.8 -0.556 15.6-136.9 -71.4 138.1 -77.0 1.0 -41.0 89 37 B I E - C 0 185A 44 -2,-0.2 -11,-0.9 96,-0.2 2,-0.4 -0.842 15.8-166.8-108.7 100.7 -78.0 -1.6 -38.5 90 38 B G E -AC 77 184A 0 94,-2.4 94,-2.7 -2,-0.8 2,-0.5 -0.679 8.4-160.3 -78.1 131.4 -75.7 -2.0 -35.6 91 39 B T E -AC 76 183A 23 -15,-3.3 -15,-2.2 -2,-0.4 2,-0.5 -0.974 4.5-158.0-117.7 127.8 -76.3 -5.2 -33.6 92 40 B V E +AC 75 182A 0 90,-2.3 89,-2.5 -2,-0.5 90,-1.5 -0.904 23.2 167.5-103.8 124.4 -75.2 -5.7 -30.0 93 41 B R E -AC 74 180A 89 -19,-2.9 -19,-3.3 -2,-0.5 2,-0.4 -0.964 27.5-138.9-138.9 156.6 -74.9 -9.2 -28.8 94 42 B I E -AC 73 179A 0 85,-2.7 85,-2.2 -2,-0.3 2,-0.5 -0.895 12.4-156.9-112.7 144.1 -73.4 -11.3 -25.9 95 43 B N E -A 72 0A 38 -23,-3.3 -23,-1.9 -2,-0.4 83,-0.2 -0.955 67.0 -22.8-127.7 115.2 -71.6 -14.6 -26.2 96 44 B N S S+ 0 0 85 -2,-0.5 2,-0.6 1,-0.2 82,-0.2 0.914 70.5 167.5 54.5 54.7 -71.3 -17.1 -23.4 97 45 B I > - 0 0 1 80,-2.5 3,-1.1 -26,-0.1 2,-0.3 -0.892 38.2-122.0 -92.0 123.4 -71.9 -14.9 -20.4 98 46 B K T 3 S- 0 0 54 -2,-0.6 78,-0.0 1,-0.3 79,-0.0 -0.488 83.6 -11.0 -73.7 129.7 -72.5 -17.2 -17.4 99 47 B N T 3 S- 0 0 47 -2,-0.3 117,-1.0 1,-0.2 -1,-0.3 0.859 86.9-167.9 49.4 41.7 -75.8 -16.7 -15.6 100 48 B F E < +G 215 0B 0 -3,-1.1 76,-0.5 115,-0.2 115,-0.3 -0.354 24.7 155.3 -58.2 132.1 -76.5 -13.5 -17.5 101 49 B A E - 0 0 0 113,-3.2 62,-2.3 1,-0.4 2,-0.3 0.351 58.6 -9.2-140.1 3.3 -79.4 -11.6 -16.0 102 50 B G E -GH 214 162B 0 112,-1.0 112,-2.4 60,-0.2 -1,-0.4 -0.974 51.7-167.9 174.5 170.5 -78.9 -7.9 -16.9 103 51 B F E -GH 213 161B 0 58,-2.4 58,-1.9 -2,-0.3 2,-0.3 -0.976 13.1-151.1-168.3 161.7 -76.6 -5.3 -18.4 104 52 B Q E -GH 212 160B 0 108,-2.1 108,-2.1 -2,-0.3 2,-0.3 -0.967 22.4-173.9-140.3 133.2 -76.0 -1.6 -18.9 105 53 B V E -GH 211 159B 0 54,-2.2 54,-1.4 -2,-0.3 2,-0.4 -0.925 17.5-155.8-130.5 155.5 -74.1 -0.2 -21.9 106 54 B N E - H 0 158B 7 104,-1.6 93,-2.3 -2,-0.3 2,-0.4 -0.950 17.5-177.6-132.3 107.5 -72.8 3.1 -23.1 107 55 B I E -IH 198 157B 0 50,-2.8 50,-3.1 -2,-0.4 2,-0.4 -0.862 6.5-160.6-108.2 140.8 -72.4 3.6 -26.8 108 56 B V E +IH 197 156B 25 89,-3.5 89,-1.8 -2,-0.4 2,-0.3 -0.942 15.0 162.5-122.8 149.0 -71.0 6.7 -28.5 109 57 B Y E -I 196 0B 15 46,-2.0 87,-0.2 -2,-0.4 7,-0.0 -0.944 46.9 -93.1-150.2 164.6 -71.2 8.0 -32.1 110 58 B D >> - 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O 01908p 0 -89,-3.1 -90,-4.5 -2,-0.4 -59,-0.2 -0.749 34.8-120.7 -79.9 115.5 -50.7 -5.1 -63.4 1968 112 L K > - 0 0 79 -61,-2.3 3,-1.1 -2,-0.7 -90,-0.1 -0.121 15.1-121.9 -54.0 152.5 -53.0 -2.4 -61.8 1969 113 L E T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -93,-0.2 -62,-0.0 0.875 109.6 56.3 -71.2 -35.1 -54.1 -3.2 -58.3 1970 114 L G T 3 S+ 0 0 76 -64,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.335 84.5 139.8 -73.9 11.8 -57.9 -3.0 -59.1 1971 115 L A < - 0 0 14 -3,-1.1 2,-0.2 -64,-0.2 -64,-0.1 -0.369 49.4-132.2 -75.6 131.8 -57.3 -5.7 -61.7 1972 116 L P - 0 0 88 0, 0.0 33,-0.2 0, 0.0 -1,-0.1 -0.515 29.6-105.5 -70.1 135.8 -59.8 -8.6 -62.4 1973 117 L E S S+ 0 0 126 -2,-0.2 2,-0.2 31,-0.1 33,-0.2 -0.275 77.3 71.9 -53.7 149.2 -58.5 -12.1 -62.7 1974 118 L G E S-Q 2005 0q 33 31,-2.0 31,-2.8 -3,-0.1 2,-0.6 -0.771 87.1 -45.3 134.1-178.2 -58.5 -13.4 -66.2 1975 119 L F E -Q 2004 0q 123 -2,-0.2 2,-0.6 29,-0.2 29,-0.3 -0.793 42.6-159.3 -94.0 125.0 -56.9 -13.0 -69.6 1976 120 L S E -Q 2003 0q 8 27,-4.2 27,-3.5 -2,-0.6 2,-0.3 -0.925 18.6-138.4-105.8 115.3 -56.2 -9.5 -70.7 1977 121 L A E -Q 2002 0q 33 -2,-0.6 2,-0.7 25,-0.3 25,-0.3 -0.548 16.7-167.2 -83.0 129.4 -55.7 -9.5 -74.5 1978 122 L I E -Q 2001 0q 2 23,-2.8 23,-1.4 -2,-0.3 2,-0.3 -0.921 27.5-177.4-107.9 97.9 -53.0 -7.4 -76.2 1979 123 L E E -S 1902 0r 90 -77,-1.4 -77,-3.0 -2,-0.7 2,-1.8 -0.786 39.3-109.4-108.3 144.4 -54.2 -7.6 -79.8 1980 124 L I E - 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