==== 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 26-SEP-05 2C26 . 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) . 13004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 62.4 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 . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.2 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 0 182 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.8 -14.1 47.5 -5.4 2 3 A E + 0 0 191 1,-0.4 2,-0.2 0, 0.0 0, 0.0 0.327 360.0 86.2-163.6 -51.2 -12.8 50.9 -4.2 3 4 A N - 0 0 52 74,-0.1 2,-0.4 1,-0.0 -1,-0.4 -0.526 69.7-135.5 -65.7 135.4 -10.6 51.1 -1.1 4 5 A Q - 0 0 106 -2,-0.2 30,-0.3 -3,-0.1 75,-0.1 -0.803 16.9-121.5 -93.8 132.9 -7.0 50.6 -2.0 5 6 A A - 0 0 46 -2,-0.4 28,-0.3 1,-0.1 75,-0.1 -0.373 35.7-101.5 -69.5 149.6 -5.0 48.3 0.3 6 7 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 26,-0.3 -0.288 26.2-109.8 -70.5 158.2 -1.9 49.8 2.0 7 8 A K B -A 31 0A 113 24,-3.7 24,-1.6 22,-0.1 2,-0.5 -0.803 36.3-162.7 -82.1 122.9 1.8 49.4 1.0 8 9 A A + 0 0 14 -2,-0.5 2,-0.3 22,-0.2 74,-0.1 -0.959 26.5 133.1-114.1 127.7 3.5 47.2 3.7 9 10 A I - 0 0 64 -2,-0.5 21,-0.4 18,-0.2 2,-0.3 -0.957 21.5-178.2-164.3 150.3 7.3 47.1 4.0 10 11 A F - 0 0 10 -2,-0.3 2,-0.3 19,-0.1 17,-0.2 -0.977 11.2-158.1-146.7 159.2 10.0 47.2 6.7 11 12 A T E -B 26 0B 91 15,-1.8 15,-3.4 -2,-0.3 2,-0.3 -0.835 17.1-149.9-121.6 169.2 13.7 47.2 7.2 12 13 A F E -B 25 0B 24 -2,-0.3 13,-0.2 13,-0.2 3,-0.1 -0.949 9.8-114.7-139.8 165.6 15.6 46.3 10.4 13 14 A S E S+B 24 0B 75 11,-1.3 11,-2.8 -2,-0.3 2,-0.1 -0.966 88.4 29.0-155.9 131.1 18.9 47.2 12.2 14 15 A P - 0 0 32 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.571 69.2-156.8 -77.9 159.3 21.3 45.8 12.9 15 16 A E S S+ 0 0 131 1,-0.3 73,-0.5 -2,-0.1 -2,-0.1 0.757 91.6 43.0 -71.2 -26.0 21.2 43.3 9.9 16 17 A D S S+ 0 0 124 71,-0.1 -1,-0.3 73,-0.0 73,-0.1 -0.605 83.9 179.1-119.4 67.4 23.3 40.8 11.9 17 18 A P - 0 0 1 0, 0.0 73,-1.7 0, 0.0 2,-0.2 -0.312 16.8-144.0 -72.9 155.4 22.0 40.8 15.5 18 19 A V B > -d 90 0C 49 71,-0.2 3,-1.7 1,-0.1 43,-0.3 -0.656 42.4 -70.0-103.2 167.9 23.3 38.7 18.3 19 20 A T T 3 S+ 0 0 17 71,-1.6 43,-0.2 1,-0.3 -1,-0.1 -0.275 120.0 11.6 -57.6 144.3 21.2 37.2 21.1 20 21 A D T 3 S+ 0 0 106 41,-2.8 2,-0.4 1,-0.2 -1,-0.3 0.602 96.6 131.6 57.9 15.9 19.7 39.7 23.6 21 22 A E < - 0 0 74 -3,-1.7 40,-0.4 40,-0.3 -1,-0.2 -0.828 64.8-109.4 -95.1 135.7 20.7 42.6 21.3 22 23 A N - 0 0 85 -2,-0.4 2,-0.4 38,-0.1 38,-0.2 -0.432 32.1-165.3 -60.1 129.9 18.0 45.3 20.5 23 24 A V E - C 0 59B 0 36,-2.5 36,-2.2 -2,-0.2 2,-0.7 -0.987 7.8-149.9-116.3 129.5 16.8 45.1 16.9 24 25 A V E -BC 13 58B 65 -11,-2.8 -11,-1.3 -2,-0.4 2,-0.4 -0.896 7.2-159.4-102.3 116.4 14.8 48.1 15.6 25 26 A F E -BC 12 57B 0 32,-3.1 32,-1.8 -2,-0.7 2,-0.5 -0.822 8.1-162.0 -93.4 134.0 12.2 47.2 13.0 26 27 A N E +BC 11 56B 54 -15,-3.4 -15,-1.8 -2,-0.4 3,-0.3 -0.907 23.5 168.4-129.4 103.7 11.2 50.2 10.9 27 28 A A > + 0 0 0 28,-3.4 3,-2.3 -2,-0.5 -18,-0.2 0.089 40.2 122.5 -96.5 21.3 8.0 50.1 8.8 28 29 A S T 3 + 0 0 64 1,-0.3 -1,-0.2 27,-0.2 -18,-0.1 0.656 66.3 61.6 -67.9 -15.2 8.1 53.9 8.0 29 30 A N T 3 S+ 0 0 121 -3,-0.3 -1,-0.3 -20,-0.2 2,-0.1 0.524 82.0 104.6 -85.1 -4.8 8.1 53.3 4.2 30 31 A S < + 0 0 9 -3,-2.3 2,-0.3 -21,-0.4 -22,-0.2 -0.467 51.1 169.9 -67.3 148.8 4.7 51.6 4.6 31 32 A I B -A 7 0A 72 -24,-1.6 -24,-3.7 -2,-0.1 2,-0.6 -0.975 39.5-137.0-162.0 143.2 1.8 53.9 3.5 32 33 A D > - 0 0 9 -2,-0.3 3,-0.8 -26,-0.3 5,-0.1 -0.958 21.6-157.8-101.4 116.5 -1.9 53.8 2.7 33 34 A E T 3 S+ 0 0 106 -2,-0.6 -1,-0.1 -28,-0.3 -28,-0.1 0.771 87.9 28.1 -67.6 -30.2 -2.2 55.8 -0.5 34 35 A D T 3 S+ 0 0 73 -30,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.091 133.4 0.3-120.6 19.5 -5.9 56.8 -0.1 35 36 A G S < S- 0 0 31 -3,-0.8 2,-0.3 -32,-0.0 -3,-0.3 -0.753 87.2 -69.4-168.9-144.1 -6.2 56.8 3.7 36 37 A T - 0 0 91 -2,-0.2 40,-1.8 -5,-0.1 2,-0.5 -0.921 38.9-103.7-132.1 161.0 -4.2 56.2 6.8 37 38 A I E +E 75 0D 34 -2,-0.3 38,-0.3 38,-0.2 3,-0.1 -0.740 31.9 177.0 -83.8 127.9 -2.5 53.3 8.6 38 39 A A E + 0 0 54 36,-2.8 2,-0.4 -2,-0.5 37,-0.2 0.752 63.7 26.2 -98.7 -34.1 -4.4 52.1 11.6 39 40 A Y E -E 74 0D 139 35,-1.9 35,-2.1 2,-0.0 2,-0.6 -0.998 46.5-167.9-137.4 133.3 -2.4 49.1 12.8 40 41 A Y E -EF 73 52D 29 12,-0.7 12,-1.6 -2,-0.4 2,-0.5 -0.978 24.1-172.3-107.1 109.5 1.2 47.9 12.5 41 42 A V E -EF 72 51D 40 31,-2.9 31,-2.6 -2,-0.6 2,-0.5 -0.919 2.9-162.6-107.5 128.5 1.0 44.2 13.7 42 43 A W E -EF 71 50D 0 8,-3.4 8,-2.2 -2,-0.5 2,-0.6 -0.922 13.7-169.1-116.1 130.0 4.3 42.4 14.1 43 44 A D E -EF 70 49D 47 27,-2.8 27,-2.4 -2,-0.5 6,-0.2 -0.977 8.7-162.3-113.8 116.0 4.9 38.7 14.3 44 45 A F - 0 0 7 4,-2.0 5,-0.1 -2,-0.6 25,-0.1 0.423 34.0-120.5 -84.6 1.4 8.5 38.1 15.5 45 46 A G S S+ 0 0 35 3,-0.4 23,-0.2 22,-0.1 24,-0.1 0.424 95.6 86.1 81.2 0.7 8.6 34.5 14.3 46 47 A D S S- 0 0 52 2,-0.4 3,-0.1 21,-0.1 -1,-0.1 0.334 116.3 -80.8-114.7 0.7 9.4 33.2 17.8 47 48 A G S S+ 0 0 74 1,-0.4 2,-0.3 0, 0.0 -4,-0.0 0.225 101.2 100.7 116.3 -13.9 5.9 32.8 19.3 48 49 A Y + 0 0 149 2,-0.0 -4,-2.0 0, 0.0 -1,-0.4 -0.807 43.2 178.9-109.1 146.3 5.3 36.4 20.2 49 50 A E E +F 43 0D 128 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.951 7.9 156.1-136.1 157.4 3.4 39.2 18.5 50 51 A G E -F 42 0D 27 -8,-2.2 -8,-3.4 -2,-0.3 2,-0.3 -0.971 29.3-114.5-164.3-178.5 2.6 42.8 19.2 51 52 A T E -F 41 0D 86 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.898 14.5-144.6-124.7 157.9 1.7 46.2 17.7 52 53 A S E -F 40 0D 14 -12,-1.6 -12,-0.7 -2,-0.3 5,-0.1 -0.925 10.3-151.1-119.6 147.1 3.4 49.6 17.4 53 54 A T S S+ 0 0 145 -2,-0.4 -1,-0.1 3,-0.2 4,-0.1 0.655 92.7 35.6 -88.9 -17.9 1.7 52.9 17.7 54 55 A T S S- 0 0 68 2,-0.4 -14,-0.1 -14,-0.1 -2,-0.1 -0.672 105.4 -93.4-116.3 176.6 4.4 54.3 15.4 55 56 A P S S+ 0 0 36 0, 0.0 -28,-3.4 0, 0.0 2,-0.3 0.497 102.1 74.6 -68.6 -5.2 6.2 52.5 12.4 56 57 A T E +C 26 0B 58 -30,-0.2 -2,-0.4 -29,-0.1 2,-0.3 -0.826 51.1 169.9-115.3 152.0 9.0 51.4 14.6 57 58 A I E -C 25 0B 29 -32,-1.8 -32,-3.1 -2,-0.3 2,-0.4 -0.977 21.3-140.5-152.8 143.9 9.3 48.6 17.3 58 59 A T E +C 24 0B 76 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.860 23.6 174.6-110.8 147.2 12.3 47.1 19.1 59 60 A Y E -C 23 0B 46 -36,-2.2 -36,-2.5 -2,-0.4 2,-0.4 -0.981 17.5-151.6-148.9 157.2 12.7 43.5 19.9 60 61 A K - 0 0 106 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.1 -0.998 6.0-152.8-133.6 138.5 15.2 41.0 21.4 61 62 A Y - 0 0 3 -40,-0.4 -41,-2.8 -2,-0.4 -40,-0.3 -0.945 3.7-168.7-111.4 124.0 15.8 37.3 20.7 62 63 A K S S+ 0 0 145 -2,-0.5 -1,-0.1 -43,-0.2 -43,-0.1 0.758 73.6 57.3 -82.0 -23.9 17.3 35.3 23.6 63 64 A N S S- 0 0 89 -45,-0.1 -43,-0.1 28,-0.1 26,-0.1 -0.839 86.4-117.2-108.2 141.6 18.0 32.2 21.4 64 65 A P + 0 0 54 0, 0.0 2,-0.3 0, 0.0 26,-0.2 -0.317 60.8 97.8 -66.8 161.1 20.0 32.0 18.2 65 66 A G E S- G 0 89D 29 24,-3.1 24,-3.7 -4,-0.1 2,-0.5 -0.872 73.8 -71.7 149.4 179.6 18.3 31.1 15.0 66 67 A T E - G 0 88D 93 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.963 48.7-167.1-110.9 119.9 16.6 32.3 11.8 67 68 A Y E - G 0 87D 30 20,-3.0 20,-2.6 -2,-0.5 2,-0.7 -0.864 19.8-134.8-111.9 140.3 13.3 34.0 12.4 68 69 A K E - G 0 86D 132 -2,-0.4 2,-0.6 -23,-0.2 18,-0.2 -0.860 22.2-160.2 -88.3 118.2 10.5 35.0 10.0 69 70 A V E - G 0 85D 1 16,-3.5 16,-2.4 -2,-0.7 2,-0.5 -0.902 7.9-168.3-103.1 119.1 9.4 38.5 10.8 70 71 A K E -EG 43 84D 81 -27,-2.4 -27,-2.8 -2,-0.6 2,-0.5 -0.920 6.7-167.2-110.1 126.0 5.9 39.3 9.5 71 72 A L E -EG 42 83D 0 12,-2.8 12,-2.1 -2,-0.5 2,-0.5 -0.932 1.6-166.9-103.1 131.0 4.5 42.8 9.4 72 73 A I E -EG 41 82D 51 -31,-2.6 -31,-2.9 -2,-0.5 2,-0.5 -0.991 5.2-162.1-112.4 127.8 0.8 43.3 8.6 73 74 A V E -EG 40 81D 0 8,-2.8 8,-1.9 -2,-0.5 2,-0.4 -0.941 6.6-169.3-106.5 128.4 -0.3 46.9 7.9 74 75 A T E -EG 39 80D 27 -35,-2.1 -36,-2.8 -2,-0.5 -35,-1.9 -0.981 10.4-143.4-121.9 130.9 -4.0 47.6 8.2 75 76 A D E > -E 37 0D 3 4,-2.9 3,-1.7 -2,-0.4 -38,-0.2 -0.180 36.7 -87.1 -85.9-179.2 -5.6 50.8 6.9 76 77 A N T 3 S+ 0 0 82 -40,-1.8 -39,-0.1 1,-0.3 -1,-0.1 0.540 127.3 49.7 -65.3 -9.0 -8.4 53.0 8.3 77 78 A Q T 3 S- 0 0 122 -41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.291 121.3-100.9-114.7 9.4 -11.0 50.8 6.4 78 79 A G S < S+ 0 0 54 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.489 75.6 137.7 89.0 3.7 -9.7 47.4 7.5 79 80 A A - 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