==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 22-OCT-10 3PDD . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE, FAMILY 9; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 41.1 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.3 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 5 1 3 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 2 0 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 0 131 0, 0.0 25,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.3 -11.0 -24.5 33.4 2 2 A V E -A 25 0A 4 76,-0.4 2,-0.4 23,-0.2 23,-0.2 -0.996 360.0-171.9-126.0 134.6 -8.8 -21.6 32.7 3 3 A T E -A 24 0A 27 21,-2.5 21,-2.4 -2,-0.4 2,-0.7 -0.970 23.8-139.6-128.6 139.4 -8.5 -20.0 29.3 4 4 A I E -A 23 0A 21 -2,-0.4 19,-0.3 19,-0.2 -2,-0.0 -0.906 21.6-175.0 -94.3 116.9 -6.3 -17.4 27.8 5 5 A D E + 0 0 78 17,-1.9 -1,-0.2 -2,-0.7 18,-0.1 0.884 57.2 53.8 -82.5 -45.3 -8.7 -15.4 25.7 6 6 A S E S+A 22 0A 54 16,-0.8 16,-2.4 2,-0.1 -1,-0.4 -0.981 92.7 38.4-141.9 140.6 -6.2 -13.0 24.1 7 7 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.593 83.5-142.1 -71.8 172.3 -3.7 -13.4 22.5 8 8 A V > - 0 0 88 -2,-0.2 3,-2.1 1,-0.1 -3,-0.1 -0.663 33.8 -80.3-100.0 150.2 -4.7 -16.5 20.5 9 9 A A T 3 S+ 0 0 74 1,-0.3 75,-0.2 -2,-0.3 -1,-0.1 -0.308 116.5 17.7 -50.4 134.0 -2.2 -19.3 19.7 10 10 A G T 3 S+ 0 0 46 73,-3.2 -1,-0.3 1,-0.3 74,-0.2 0.397 85.5 150.3 84.9 -0.0 0.0 -18.5 16.9 11 11 A E < - 0 0 70 -3,-2.1 74,-2.4 72,-0.2 2,-0.4 -0.379 36.2-143.3 -65.6 143.9 -0.6 -14.7 17.0 12 12 A R E -c 85 0B 103 72,-0.2 2,-0.3 153,-0.1 74,-0.2 -0.914 16.4-170.8-109.8 136.5 2.4 -12.6 15.8 13 13 A F E -c 86 0B 35 72,-2.6 74,-2.4 -2,-0.4 2,-0.3 -0.856 27.1-103.2-118.0 160.5 3.2 -9.2 17.4 14 14 A E E > -c 87 0B 78 -2,-0.3 3,-2.3 72,-0.2 74,-0.2 -0.637 43.3 -97.6 -89.1 137.9 5.7 -6.5 16.4 15 15 A A T 3 S+ 0 0 27 72,-2.2 44,-0.2 -2,-0.3 74,-0.1 -0.240 109.1 18.7 -51.8 132.1 9.0 -6.2 18.2 16 16 A G T 3 S+ 0 0 48 42,-3.1 -1,-0.3 1,-0.3 41,-0.2 0.311 100.5 108.4 81.4 -10.5 8.8 -3.5 20.9 17 17 A K S < S- 0 0 146 -3,-2.3 41,-2.3 41,-0.3 -1,-0.3 -0.333 72.6 -97.2 -83.3 177.2 5.0 -3.5 21.1 18 18 A D - 0 0 62 39,-0.2 2,-0.6 38,-0.2 38,-0.2 -0.746 17.5-146.8-100.0 150.1 3.1 -4.8 24.1 19 19 A I E - B 0 55A 0 36,-2.2 36,-2.7 -2,-0.3 2,-0.5 -0.956 16.1-161.1-111.0 115.9 1.4 -8.2 24.5 20 20 A N E - B 0 54A 78 -2,-0.6 2,-0.4 34,-0.2 34,-0.2 -0.870 7.3-158.8 -98.7 130.9 -1.8 -7.8 26.7 21 21 A I E - B 0 53A 4 32,-3.1 32,-2.3 -2,-0.5 2,-0.3 -0.872 9.8-175.3-120.6 130.2 -3.0 -11.1 28.2 22 22 A S E -AB 6 52A 36 -16,-2.4 -17,-1.9 -2,-0.4 -16,-0.8 -0.968 4.5-168.3-126.5 138.6 -6.6 -11.8 29.4 23 23 A A E -AB 4 51A 7 28,-1.9 28,-0.7 -2,-0.3 2,-0.4 -0.984 8.8-156.1-131.4 145.0 -7.8 -15.0 31.2 24 24 A T E -A 3 0A 56 -21,-2.4 -21,-2.5 -2,-0.4 2,-0.5 -0.970 11.9-155.2-117.0 135.5 -11.2 -16.3 32.0 25 25 A V E -A 2 0A 29 -2,-0.4 2,-0.5 -23,-0.2 -23,-0.2 -0.944 10.1-171.9-116.2 134.2 -11.7 -18.7 34.8 26 26 A K + 0 0 103 -25,-2.8 2,-0.3 -2,-0.5 -2,-0.0 -0.991 31.2 136.8-118.2 113.2 -14.6 -21.2 35.1 27 27 A S - 0 0 46 -2,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.992 57.4-134.7-155.4 150.3 -14.6 -23.0 38.5 28 28 A K S S+ 0 0 213 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.677 96.1 67.1 -74.3 -18.0 -17.0 -24.1 41.3 29 29 A T S S- 0 0 28 1,-0.1 -2,-0.0 -3,-0.0 2,-0.0 -0.810 98.1-104.3-103.1 140.0 -14.5 -22.7 43.9 30 30 A P - 0 0 90 0, 0.0 42,-2.6 0, 0.0 2,-0.4 -0.317 37.3-116.1 -60.6 149.6 -13.9 -18.9 44.1 31 31 A V E -D 71 0B 36 40,-0.2 40,-0.3 1,-0.2 3,-0.1 -0.757 22.1-170.2 -91.6 132.8 -10.6 -17.7 42.6 32 32 A S E - 0 0 56 38,-2.9 2,-0.3 -2,-0.4 39,-0.2 0.876 69.3 -33.8 -82.2 -46.3 -7.9 -16.1 44.8 33 33 A K E -D 70 0B 66 37,-1.5 37,-3.0 2,-0.0 2,-0.4 -0.968 49.8-123.9-167.9 162.1 -5.7 -14.9 41.9 34 34 A V E -DE 69 46B 0 12,-1.9 12,-2.8 -2,-0.3 2,-0.4 -0.998 22.3-153.8-119.4 124.6 -4.5 -15.7 38.4 35 35 A E E -DE 68 45B 21 33,-3.3 33,-2.7 -2,-0.4 2,-0.5 -0.861 7.4-149.6-100.2 138.1 -0.8 -15.9 37.8 36 36 A F E -DE 67 44B 1 8,-3.1 7,-3.5 -2,-0.4 8,-1.0 -0.907 16.3-170.0-111.4 132.1 0.5 -15.3 34.3 37 37 A Y E -DE 66 42B 50 29,-3.3 29,-1.8 -2,-0.5 2,-0.5 -0.873 26.6-157.7-123.2 150.9 3.6 -17.0 33.0 38 38 A N E > S-DE 65 41B 46 3,-2.5 3,-2.1 -2,-0.3 2,-0.3 -0.971 85.7 -45.1-118.4 107.8 6.0 -16.8 30.0 39 39 A G T 3 S- 0 0 32 25,-2.9 27,-0.1 -2,-0.5 24,-0.0 -0.537 124.0 -28.4 58.8-130.1 7.5 -20.2 30.1 40 40 A D T 3 S+ 0 0 155 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.514 117.4 105.4 -89.5 -4.7 8.3 -20.8 33.7 41 41 A T E < S-E 38 0B 101 -3,-2.1 -3,-2.5 1,-0.1 2,-0.1 -0.645 71.6-127.2 -89.1 122.3 8.8 -17.1 34.4 42 42 A L E -E 37 0B 86 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.415 23.1-177.3 -62.2 122.5 6.1 -15.2 36.4 43 43 A I E - 0 0 50 -7,-3.5 2,-0.3 1,-0.4 -1,-0.2 0.855 61.3 -55.1 -79.9 -55.4 4.9 -12.1 34.5 44 44 A S E -E 36 0B 42 -8,-1.0 -8,-3.1 2,-0.0 -1,-0.4 -0.978 46.1-116.2-177.4 166.5 2.5 -11.0 37.1 45 45 A S E -E 35 0B 62 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.977 16.2-159.0-129.2 149.1 -0.4 -11.9 39.3 46 46 A D E -E 34 0B 22 -12,-2.8 -12,-1.9 -2,-0.4 7,-0.0 -0.959 11.5-173.5-137.0 109.9 -3.9 -10.5 39.4 47 47 A T + 0 0 95 -2,-0.5 2,-0.4 -14,-0.2 -1,-0.1 0.565 69.2 66.8 -74.8 -10.7 -6.3 -10.9 42.4 48 48 A T S S- 0 0 88 2,-0.2 4,-0.2 -14,-0.1 -14,-0.1 -0.943 85.3 -94.4-122.2 137.6 -9.3 -9.3 40.6 49 49 A A S S+ 0 0 71 -2,-0.4 2,-0.1 2,-0.1 -25,-0.1 -0.627 104.4 61.9 -73.3 136.1 -11.5 -10.2 37.7 50 50 A P S S- 0 0 108 0, 0.0 2,-0.6 0, 0.0 -2,-0.2 0.469 88.4-149.2 -74.2 138.6 -11.0 -9.2 34.9 51 51 A Y E +B 23 0A 27 -28,-0.7 -28,-1.9 -2,-0.1 2,-0.3 -0.755 29.9 160.3 -84.1 112.5 -7.7 -11.1 35.1 52 52 A T E +B 22 0A 76 -2,-0.6 2,-0.3 -4,-0.2 -30,-0.2 -0.973 20.6 178.2-135.6 155.6 -5.1 -9.3 33.0 53 53 A A E -B 21 0A 7 -32,-2.3 -32,-3.1 -2,-0.3 2,-0.4 -0.964 13.0-151.3-146.7 165.7 -1.3 -9.1 32.5 54 54 A K E -B 20 0A 101 -2,-0.3 2,-0.7 -34,-0.2 -34,-0.2 -0.999 10.4-154.9-146.5 128.9 1.0 -7.1 30.1 55 55 A I E -B 19 0A 25 -36,-2.7 -36,-2.2 -2,-0.4 3,-0.4 -0.950 29.1-148.8 -96.3 115.9 4.4 -7.8 28.7 56 56 A T - 0 0 105 -2,-0.7 -38,-0.2 1,-0.2 -39,-0.1 -0.731 67.6 -4.1 -92.1 130.3 5.7 -4.3 27.9 57 57 A G S S- 0 0 41 -2,-0.4 -1,-0.2 -41,-0.2 -39,-0.2 0.950 84.9-151.1 58.3 52.9 8.1 -3.7 25.0 58 58 A A - 0 0 3 -41,-2.3 -42,-3.1 -3,-0.4 -41,-0.3 -0.361 2.2-137.0 -63.6 127.3 8.4 -7.3 24.0 59 59 A A - 0 0 64 -44,-0.2 27,-0.1 -2,-0.2 -1,-0.1 -0.408 38.7 -78.7 -75.0 157.0 11.7 -8.3 22.4 60 60 A V S S+ 0 0 90 -2,-0.1 2,-0.2 25,-0.1 27,-0.2 -0.250 86.7 72.1 -55.9 145.7 11.8 -10.7 19.4 61 61 A G E S- F 0 86B 29 25,-2.6 25,-2.5 -3,-0.1 2,-0.3 -0.804 83.1 -47.6 137.3-178.8 11.3 -14.4 20.2 62 62 A A E - F 0 85B 70 -2,-0.2 2,-0.5 23,-0.2 23,-0.2 -0.698 40.2-161.3 -88.1 139.0 8.7 -17.0 21.2 63 63 A Y E - F 0 84B 27 21,-2.5 21,-2.5 -2,-0.3 2,-0.9 -0.987 2.8-162.4-120.8 122.9 6.5 -16.4 24.2 64 64 A N E - F 0 83B 71 -2,-0.5 -25,-2.9 19,-0.2 2,-0.3 -0.827 20.8-163.0-112.1 86.1 4.8 -19.5 25.8 65 65 A L E +DF 38 82B 1 17,-2.4 17,-3.0 -2,-0.9 2,-0.3 -0.605 15.3 169.9 -82.7 137.7 2.0 -18.0 27.8 66 66 A K E -D 37 0B 53 -29,-1.8 -29,-3.3 -2,-0.3 2,-0.4 -0.993 19.5-151.8-144.3 143.6 0.1 -19.7 30.5 67 67 A A E -D 36 0B 0 -2,-0.3 12,-3.0 13,-0.3 2,-0.5 -0.964 9.7-166.9-113.6 139.1 -2.4 -18.7 33.1 68 68 A V E -DG 35 78B 14 -33,-2.7 -33,-3.3 -2,-0.4 2,-0.5 -0.993 9.2-150.3-126.9 118.6 -2.8 -20.4 36.5 69 69 A A E -DG 34 77B 0 8,-2.6 8,-2.3 -2,-0.5 2,-0.6 -0.811 4.7-154.6 -86.8 127.5 -5.8 -19.8 38.8 70 70 A V E -DG 33 76B 10 -37,-3.0 -38,-2.9 -2,-0.5 -37,-1.5 -0.948 20.4-147.5-100.3 118.3 -5.1 -20.2 42.4 71 71 A L E > -D 31 0B 2 4,-3.1 3,-2.2 -2,-0.6 -40,-0.2 -0.404 24.6-104.1 -92.2 168.0 -8.4 -21.1 44.0 72 72 A S T 3 S+ 0 0 72 -42,-2.6 -41,-0.1 1,-0.3 -1,-0.1 0.708 119.7 55.7 -72.0 -18.5 -9.6 -20.2 47.5 73 73 A D T 3 S- 0 0 88 -43,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.288 123.2-100.7 -92.6 9.8 -9.0 -23.7 48.8 74 74 A G S < S+ 0 0 41 -3,-2.2 -2,-0.1 1,-0.3 2,-0.0 0.173 79.4 133.5 94.2 -15.3 -5.3 -23.7 47.7 75 75 A R - 0 0 118 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.319 43.9-146.3 -66.5 151.6 -5.8 -25.8 44.5 76 76 A R E -G 70 0B 147 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.955 15.0-177.7-119.4 135.9 -4.3 -24.6 41.2 77 77 A I E -G 69 0B 41 -8,-2.3 -8,-2.6 -2,-0.4 2,-0.3 -0.969 14.2-160.1-128.4 150.0 -5.8 -25.1 37.7 78 78 A E E -G 68 0B 115 -2,-0.3 -76,-0.4 -10,-0.2 -10,-0.2 -0.943 14.8-123.5-138.2 150.2 -4.0 -24.0 34.6 79 79 A S - 0 0 4 -12,-3.0 -76,-0.2 -2,-0.3 3,-0.1 -0.432 38.9-100.5 -75.6 160.3 -4.6 -23.1 31.0 80 80 A P - 0 0 102 0, 0.0 -13,-0.3 0, 0.0 2,-0.3 -0.338 56.0 -81.2 -62.5 166.3 -2.8 -24.8 28.1 81 81 A V - 0 0 71 -15,-0.1 -15,-0.2 1,-0.0 -72,-0.1 -0.527 35.0-154.5 -71.8 136.0 0.1 -22.9 26.7 82 82 A T E - F 0 65B 16 -17,-3.0 -17,-2.4 -2,-0.3 2,-0.5 -0.935 16.8-157.1-106.9 106.2 -0.7 -20.2 24.2 83 83 A P E + F 0 64B 56 0, 0.0 -73,-3.2 0, 0.0 2,-0.3 -0.779 18.2 170.9 -96.0 125.9 2.4 -19.8 22.1 84 84 A V E - F 0 63B 6 -21,-2.5 -21,-2.5 -2,-0.5 2,-0.4 -0.781 22.5-132.7-124.0 166.5 2.9 -16.5 20.3 85 85 A L E -cF 12 62B 63 -74,-2.4 -72,-2.6 -2,-0.3 2,-0.5 -0.983 4.4-159.7-128.2 132.4 5.7 -14.9 18.3 86 86 A V E +cF 13 61B 2 -25,-2.5 -25,-2.6 -2,-0.4 2,-0.3 -0.956 33.5 155.5-105.3 126.2 7.3 -11.4 18.5 87 87 A K E -c 14 0B 40 -74,-2.4 -72,-2.2 -2,-0.5 2,-0.5 -0.925 52.4 -88.7-143.2 166.6 9.0 -10.5 15.3 88 88 A V - 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