==== 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 HYDROLASE 25-OCT-05 2C4X . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR S.NAJMUDIN,C.I.P.D.GUERREIRO,A.L.CARVALHO,D.N.BOLAM,J.A.M.PR . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 42.0 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 . 2 0.8 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 . 30 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.8 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 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 . 3 2 1 3 0 1 0 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 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 P 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.8 -14.3 52.6 -8.1 2 3 A E - 0 0 182 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.025 360.0-113.4 -51.0 127.5 -12.7 49.5 -6.7 3 4 A N - 0 0 37 1,-0.1 2,-0.4 74,-0.1 -1,-0.1 -0.375 25.6-134.8 -61.5 126.9 -10.4 49.9 -3.6 4 5 A Q - 0 0 111 -2,-0.1 30,-0.3 75,-0.1 75,-0.1 -0.700 21.2-119.3 -80.8 134.3 -6.8 49.1 -4.3 5 6 A A - 0 0 49 -2,-0.4 28,-0.3 1,-0.1 75,-0.1 -0.456 35.5-106.9 -69.4 144.1 -5.1 47.0 -1.6 6 7 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 26,-0.3 -0.185 30.1-109.7 -68.8 166.2 -2.1 48.7 0.0 7 8 A K B -A 31 0A 138 24,-3.7 24,-1.7 22,-0.1 2,-0.5 -0.893 30.3-155.9-102.3 126.5 1.5 47.6 -0.7 8 9 A A + 0 0 15 -2,-0.5 2,-0.3 22,-0.2 74,-0.1 -0.865 27.5 141.7-105.4 129.9 3.3 45.9 2.2 9 10 A I + 0 0 70 -2,-0.5 21,-0.4 18,-0.2 2,-0.3 -0.967 17.0 179.0-160.4 148.7 7.1 45.9 2.5 10 11 A F - 0 0 10 -2,-0.3 2,-0.3 19,-0.1 17,-0.2 -0.990 12.6-162.2-149.6 158.5 9.7 46.1 5.2 11 12 A T E -B 26 0B 87 15,-1.8 15,-3.3 -2,-0.3 2,-0.3 -0.815 17.0-150.1-122.8 169.9 13.4 46.1 5.9 12 13 A F E -B 25 0B 23 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.978 10.0-116.8-142.6 158.6 15.2 45.5 9.3 13 14 A S E S+B 24 0B 80 11,-1.5 11,-3.4 -2,-0.3 2,-0.1 -0.987 87.7 34.5-146.4 135.8 18.4 46.5 11.0 14 15 A P S S- 0 0 29 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 0.601 70.9-153.2 -74.3 160.7 20.8 45.0 12.0 15 16 A E S S+ 0 0 133 1,-0.3 73,-0.5 -2,-0.1 -2,-0.1 0.820 92.1 35.9 -64.7 -32.8 20.8 42.4 9.2 16 17 A D S S- 0 0 125 71,-0.1 -1,-0.3 73,-0.0 73,-0.1 -0.614 84.1-179.8-125.5 67.1 22.6 39.9 11.5 17 18 A P - 0 0 1 0, 0.0 73,-1.9 0, 0.0 2,-0.2 -0.217 17.0-140.6 -71.2 158.5 21.2 40.3 15.1 18 19 A V B > -d 90 0C 46 71,-0.2 3,-1.8 1,-0.1 43,-0.4 -0.669 44.0 -68.4-104.5 171.0 22.2 38.4 18.2 19 20 A T T 3 S+ 0 0 16 71,-1.8 43,-0.2 1,-0.3 -1,-0.1 -0.333 120.2 10.5 -60.3 138.5 19.9 37.2 20.9 20 21 A D T 3 S+ 0 0 109 41,-3.1 2,-0.4 1,-0.2 -1,-0.3 0.547 96.1 127.8 67.0 14.4 18.4 40.0 23.0 21 22 A E < - 0 0 77 -3,-1.8 40,-0.5 40,-0.3 -1,-0.2 -0.816 67.0-107.1 -94.5 137.7 19.6 42.7 20.6 22 23 A N - 0 0 79 -2,-0.4 2,-0.5 38,-0.1 38,-0.2 -0.484 30.8-164.0 -66.3 130.3 17.1 45.2 19.4 23 24 A V E - C 0 59B 0 36,-2.6 36,-2.0 -2,-0.2 2,-0.7 -0.963 9.4-147.5-109.7 128.5 16.0 44.8 15.7 24 25 A V E -BC 13 58B 64 -11,-3.4 -11,-1.5 -2,-0.5 2,-0.5 -0.899 9.0-158.6 -99.2 117.0 14.2 47.7 14.2 25 26 A F E -BC 12 57B 0 32,-3.0 32,-1.8 -2,-0.7 2,-0.6 -0.828 7.6-163.2 -92.8 131.8 11.7 46.7 11.6 26 27 A N E +BC 11 56B 56 -15,-3.3 -15,-1.8 -2,-0.5 3,-0.3 -0.909 23.8 166.8-126.2 103.4 10.9 49.5 9.2 27 28 A A > + 0 0 0 28,-3.3 3,-2.2 -2,-0.6 -18,-0.2 0.075 39.4 123.5 -96.9 22.6 7.7 49.2 7.0 28 29 A S T 3 + 0 0 61 1,-0.3 -1,-0.2 27,-0.2 -18,-0.1 0.657 65.3 61.0 -68.0 -16.5 7.9 52.9 6.0 29 30 A N T 3 S+ 0 0 130 -3,-0.3 -1,-0.3 -20,-0.2 2,-0.1 0.500 79.9 109.3 -86.5 -2.4 7.9 52.1 2.2 30 31 A S < + 0 0 10 -3,-2.2 2,-0.3 -21,-0.4 -22,-0.2 -0.448 50.6 175.3 -63.0 143.9 4.5 50.5 2.6 31 32 A I B -A 7 0A 81 -24,-1.7 -24,-3.7 -2,-0.1 2,-0.6 -0.995 37.1-140.2-156.0 142.7 1.9 52.6 1.0 32 33 A D - 0 0 10 -2,-0.3 3,-0.4 -26,-0.3 5,-0.1 -0.965 18.3-159.8-100.7 122.6 -1.8 52.7 0.1 33 34 A E S S+ 0 0 112 -2,-0.6 -1,-0.1 -28,-0.3 -28,-0.1 0.783 87.9 28.4 -73.1 -29.5 -2.1 54.3 -3.4 34 35 A D S S- 0 0 65 -30,-0.3 2,-0.2 2,-0.1 -1,-0.2 0.134 133.8 -2.4-120.8 18.5 -5.8 55.3 -3.1 35 36 A G S S- 0 0 31 -3,-0.4 2,-0.3 -32,-0.0 -3,-0.3 -0.729 87.5 -69.2-168.8-143.0 -6.1 55.9 0.6 36 37 A T - 0 0 94 -2,-0.2 40,-1.9 -5,-0.1 2,-0.5 -0.937 38.9-106.2-134.3 156.9 -4.1 55.6 3.8 37 38 A I E -E 75 0D 29 -2,-0.3 38,-0.3 38,-0.2 3,-0.1 -0.744 26.4-170.6 -83.1 126.9 -2.7 52.7 5.9 38 39 A A E - 0 0 38 36,-2.8 2,-0.3 -2,-0.5 37,-0.2 0.860 62.3 -11.2 -84.0 -42.0 -4.6 52.2 9.1 39 40 A Y E -E 74 0D 109 35,-1.6 35,-2.3 2,-0.0 2,-0.4 -0.990 49.5-133.1-159.7 165.1 -2.3 49.8 10.8 40 41 A Y E -EF 73 52D 19 12,-2.8 12,-2.2 -2,-0.3 2,-0.5 -0.991 19.8-164.3-122.5 125.8 0.6 47.4 10.6 41 42 A V E -EF 72 51D 35 31,-2.9 31,-2.9 -2,-0.4 2,-0.4 -0.968 8.7-164.1-117.9 127.2 0.4 43.9 12.1 42 43 A W E -EF 71 50D 0 8,-3.5 8,-2.2 -2,-0.5 2,-0.5 -0.913 16.7-167.2-116.4 136.2 3.6 41.9 12.7 43 44 A D E -EF 70 49D 54 27,-2.3 27,-2.0 -2,-0.4 6,-0.2 -0.987 8.4-164.5-117.2 115.6 4.2 38.2 13.4 44 45 A F - 0 0 4 4,-1.9 5,-0.1 -2,-0.5 -1,-0.1 0.546 35.2-121.7 -83.1 -4.8 7.8 37.9 14.6 45 46 A G S S+ 0 0 37 3,-0.5 23,-0.2 22,-0.1 24,-0.1 0.424 94.2 85.5 83.6 2.4 7.8 34.1 14.0 46 47 A D S S- 0 0 61 2,-0.4 3,-0.1 21,-0.1 23,-0.0 0.355 117.2 -79.6-114.5 2.2 8.6 33.1 17.6 47 48 A G S S+ 0 0 69 1,-0.4 2,-0.3 0, 0.0 -4,-0.0 0.126 102.7 100.6 115.2 -19.2 5.1 33.1 19.1 48 49 A Y - 0 0 167 2,-0.0 -4,-1.9 0, 0.0 -3,-0.5 -0.721 44.9-177.9-102.5 151.1 4.7 36.8 19.6 49 50 A E E -F 43 0D 129 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.939 2.2-175.6-138.8 159.8 2.8 39.4 17.4 50 51 A G E -F 42 0D 20 -8,-2.2 -8,-3.5 -2,-0.3 2,-0.3 -0.987 11.0-147.7-154.6 162.2 2.3 43.1 17.6 51 52 A T E +F 41 0D 102 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.934 12.5 177.6-129.5 154.1 0.6 46.0 16.0 52 53 A S E -F 40 0D 26 -12,-2.2 -12,-2.8 -2,-0.3 5,-0.0 -0.982 32.3-144.8-147.2 155.4 1.3 49.7 15.3 53 54 A T S S+ 0 0 113 -2,-0.3 -16,-0.1 -14,-0.2 -12,-0.1 0.449 93.1 64.5 -91.4 -4.7 -0.4 52.6 13.6 54 55 A T S S- 0 0 76 2,-0.2 -14,-0.1 -14,-0.1 -27,-0.1 -0.856 92.8-116.0-117.0 154.6 3.1 53.8 12.6 55 56 A P S S+ 0 0 35 0, 0.0 -28,-3.3 0, 0.0 2,-0.3 0.511 86.5 70.9 -77.0 -4.5 5.5 51.9 10.3 56 57 A T E +C 26 0B 67 -30,-0.2 2,-0.3 -29,-0.1 -2,-0.2 -0.809 49.6 167.2-110.7 155.9 8.4 51.1 12.6 57 58 A I E -C 25 0B 36 -32,-1.8 -32,-3.0 -2,-0.3 2,-0.4 -0.968 22.9-139.0-155.7 147.6 8.6 48.6 15.6 58 59 A T E +C 24 0B 73 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.906 24.3 175.1-115.0 148.7 11.5 47.3 17.6 59 60 A Y E -C 23 0B 32 -36,-2.0 -36,-2.6 -2,-0.4 2,-0.4 -0.993 19.4-150.8-152.9 148.8 11.8 43.7 18.8 60 61 A K - 0 0 113 -2,-0.3 2,-0.4 -38,-0.2 -38,-0.1 -0.988 11.2-147.2-126.0 134.4 14.2 41.3 20.6 61 62 A Y - 0 0 1 -40,-0.5 -41,-3.1 -2,-0.4 -40,-0.3 -0.854 2.6-161.8 -99.9 133.5 14.6 37.5 20.0 62 63 A K S S+ 0 0 150 -2,-0.4 -1,-0.1 -43,-0.2 -43,-0.1 0.820 72.9 43.5 -85.0 -30.1 15.5 35.5 23.1 63 64 A N S S- 0 0 83 28,-0.1 -43,-0.1 -45,-0.1 26,-0.1 -0.841 86.6-108.3-116.4 150.5 16.7 32.3 21.3 64 65 A P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 26,-0.2 -0.337 63.8 95.4 -68.3 158.7 18.9 31.8 18.3 65 66 A G E S- G 0 89D 29 24,-2.6 24,-3.4 2,-0.1 2,-0.5 -0.883 73.8 -69.3 151.2-178.1 17.3 30.6 15.1 66 67 A T E - G 0 88D 95 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.955 48.4-167.7-111.4 119.4 15.8 31.5 11.7 67 68 A Y E - G 0 87D 30 20,-3.2 20,-2.7 -2,-0.5 2,-0.6 -0.868 19.5-138.3-113.2 138.6 12.4 33.4 12.0 68 69 A K E - G 0 86D 147 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.868 21.2-160.1 -92.1 118.2 9.8 34.2 9.4 69 70 A V E - G 0 85D 0 16,-3.4 16,-2.4 -2,-0.6 2,-0.5 -0.903 6.2-166.2-103.6 118.2 8.5 37.7 10.0 70 71 A K E -EG 43 84D 87 -27,-2.0 -27,-2.3 -2,-0.6 2,-0.5 -0.932 2.4-165.0-107.8 126.5 5.2 38.4 8.3 71 72 A L E -EG 42 83D 0 12,-3.1 12,-2.1 -2,-0.5 2,-0.5 -0.939 1.5-168.0-107.3 131.0 3.9 42.0 8.0 72 73 A I E -EG 41 82D 52 -31,-2.9 -31,-2.9 -2,-0.5 2,-0.4 -0.983 5.2-163.7-114.6 128.4 0.2 42.7 7.2 73 74 A V E -EG 40 81D 0 8,-2.5 8,-1.7 -2,-0.5 2,-0.4 -0.925 4.7-164.9-111.1 130.8 -0.7 46.2 6.2 74 75 A T E -EG 39 80D 9 -35,-2.3 -36,-2.8 -2,-0.4 -35,-1.6 -0.965 7.5-144.8-122.9 132.3 -4.3 47.3 6.3 75 76 A D E > -E 37 0D 3 4,-2.7 3,-1.8 -2,-0.4 -38,-0.2 -0.218 37.3 -88.2 -86.6 178.7 -5.8 50.4 4.6 76 77 A N T 3 S+ 0 0 87 -40,-1.9 -39,-0.1 1,-0.3 -1,-0.1 0.608 127.1 49.5 -62.2 -15.3 -8.6 52.8 5.7 77 78 A Q T 3 S- 0 0 124 -41,-0.2 -1,-0.3 2,-0.1 -74,-0.1 0.279 120.9-102.6-108.4 7.4 -11.2 50.6 3.9 78 79 A G S < S+ 0 0 55 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.504 75.3 134.9 85.6 5.9 -10.0 47.2 5.4 79 80 A A - 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