==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-05 2C24 . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR A.L.CARVALHO,V.D.ALVES,S.NAJMUDIN,M.J.ROMAO,J.A.M.PRATES, . 347 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 37.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 34 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 6 0 2 2 8 4 2 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 0 0 0 2 2 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 13 A L 0 0 70 0, 0.0 170,-0.5 0, 0.0 172,-0.0 0.000 360.0 360.0 360.0 132.7 42.5 -5.5 -11.7 2 14 A L - 0 0 122 1,-0.1 167,-0.0 168,-0.1 2,-0.0 -0.285 360.0-106.6 -66.3 142.6 46.1 -4.3 -12.0 3 15 A D - 0 0 80 167,-0.1 2,-0.6 1,-0.1 167,-0.2 -0.322 22.3-137.7 -62.1 148.0 48.2 -3.9 -8.8 4 16 A V E -A 169 0A 0 165,-2.6 165,-2.3 -2,-0.0 2,-0.3 -0.929 20.7-147.5-111.6 103.8 49.0 -0.3 -7.7 5 17 A Q E +A 168 0A 62 -2,-0.6 163,-0.3 163,-0.2 3,-0.1 -0.557 26.9 168.9 -77.3 129.1 52.6 -0.3 -6.7 6 18 A I E S+ 0 0 11 161,-3.4 2,-0.4 1,-0.4 162,-0.2 0.807 74.3 9.6-102.2 -53.4 53.5 2.1 -3.9 7 19 A F E +A 167 0A 2 160,-1.6 160,-1.0 1,-0.1 -1,-0.4 -0.999 66.1 141.3-129.6 133.2 57.1 0.9 -3.1 8 20 A K S S- 0 0 117 -2,-0.4 158,-0.4 2,-0.4 -1,-0.1 0.552 79.7 -31.5-125.7 -66.6 59.2 -1.5 -5.2 9 21 A D S S+ 0 0 71 32,-0.1 34,-0.1 2,-0.1 -2,-0.0 0.423 111.8 53.6-143.5 -5.9 62.9 -0.7 -5.5 10 22 A S S S- 0 0 64 1,-0.1 -2,-0.4 32,-0.1 -1,-0.1 -0.863 89.9 -66.5-136.7 165.8 63.4 3.0 -5.4 11 23 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.167 50.4-129.0 -50.0 143.7 62.7 6.2 -3.4 12 24 A V - 0 0 13 18,-0.4 18,-0.2 -4,-0.0 2,-0.1 -0.864 14.0-122.0-104.7 128.5 59.0 7.3 -3.3 13 25 A V + 0 0 89 -2,-0.5 48,-2.3 48,-0.1 2,-0.3 -0.457 69.8 85.8 -62.0 135.5 57.9 10.8 -4.2 14 26 A G E S-G 60 0B 15 46,-0.2 2,-0.4 -2,-0.1 46,-0.2 -0.981 74.6 -78.0 162.8-162.8 56.0 12.2 -1.2 15 27 A W E +G 59 0B 39 44,-0.9 44,-3.0 -2,-0.3 2,-0.3 -0.982 35.7 172.3-139.3 126.3 56.6 14.1 2.1 16 28 A S E +G 58 0B 0 12,-2.1 2,-0.3 -2,-0.4 42,-0.2 -0.965 22.1 121.1-127.0 148.4 57.9 12.8 5.4 17 29 A G E -G 57 0B 8 40,-2.5 40,-2.6 -2,-0.3 2,-0.3 -0.982 33.5-144.0 176.2-174.8 58.8 14.9 8.4 18 30 A S E -G 56 0B 21 -2,-0.3 38,-0.2 38,-0.2 -2,-0.0 -0.965 36.5 -96.9-168.4 163.3 58.3 15.8 12.1 19 31 A G S S+ 0 0 22 36,-1.8 37,-0.1 -2,-0.3 -1,-0.1 0.863 118.9 14.8 -63.4 -39.9 58.4 18.7 14.5 20 32 A M S S- 0 0 138 35,-0.3 -1,-0.2 -3,-0.0 36,-0.1 0.388 113.1 -95.7-118.5 -1.4 61.9 18.3 15.8 21 33 A G S S+ 0 0 46 29,-0.0 4,-0.1 3,-0.0 28,-0.1 0.686 77.2 137.4 91.5 21.0 63.5 15.9 13.2 22 34 A E + 0 0 7 33,-0.2 27,-3.3 26,-0.1 2,-0.4 0.860 55.9 77.6 -64.6 -38.6 62.9 12.6 15.1 23 35 A L B S-B 48 0A 5 25,-0.3 2,-0.5 26,-0.1 25,-0.2 -0.624 88.3-124.3 -76.1 128.2 61.8 10.9 11.9 24 36 A E + 0 0 45 23,-3.0 23,-0.4 -2,-0.4 2,-0.3 -0.622 44.8 157.9 -74.6 120.2 64.7 9.9 9.6 25 37 A T - 0 0 49 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.958 30.8-157.5-139.1 157.8 64.2 11.3 6.2 26 38 A I B > S-L 29 0C 122 3,-2.6 3,-0.9 -2,-0.3 -10,-0.0 -0.984 87.9 -2.6-136.7 126.5 66.3 12.2 3.1 27 39 A G T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.877 129.5 -64.0 57.2 38.9 65.0 14.8 0.6 28 40 A D T 3 S+ 0 0 87 1,-0.2 -12,-2.1 -13,-0.1 2,-0.3 0.770 120.4 92.0 54.9 31.7 61.9 15.0 2.8 29 41 A T B < S-L 26 0C 19 -3,-0.9 -3,-2.6 -14,-0.2 -1,-0.2 -0.925 86.1 -73.9-144.0 168.8 61.0 11.3 2.0 30 42 A L - 0 0 1 -2,-0.3 -18,-0.4 -18,-0.2 -5,-0.2 -0.387 50.2-112.1 -67.7 138.1 61.7 7.9 3.5 31 43 A P - 0 0 8 0, 0.0 14,-2.7 0, 0.0 2,-0.5 -0.395 21.3-133.6 -65.7 144.6 65.2 6.3 3.2 32 44 A V E -C 44 0A 35 12,-0.2 2,-0.6 -2,-0.1 12,-0.2 -0.911 18.4-143.8 -99.2 125.7 65.6 3.2 1.0 33 45 A D E +C 43 0A 7 10,-3.7 10,-2.7 -2,-0.5 130,-0.0 -0.817 23.8 174.7 -96.2 121.2 67.7 0.6 2.7 34 46 A T E S+ 0 0 104 -2,-0.6 -1,-0.1 8,-0.2 3,-0.1 0.598 80.1 56.2 -98.3 -16.8 70.0 -1.5 0.5 35 47 A T E S+ 0 0 120 1,-0.2 2,-0.8 8,-0.1 -1,-0.1 0.902 104.2 56.4 -79.9 -46.1 71.7 -3.4 3.3 36 48 A V E S+ 0 0 28 7,-0.1 7,-0.8 2,-0.0 2,-0.2 -0.804 80.9 169.0 -84.0 108.8 68.3 -4.8 4.6 37 49 A T E -C 42 0A 72 -2,-0.8 2,-0.3 5,-0.2 -3,-0.1 -0.737 22.8-164.6-115.6 167.4 66.8 -6.5 1.5 38 50 A Y E > S-C 41 0A 66 3,-2.2 3,-0.7 -2,-0.2 128,-0.1 -0.905 76.5 -2.4-154.5 128.4 63.8 -8.8 0.9 39 51 A N T 3 S- 0 0 130 -2,-0.3 126,-0.0 1,-0.2 0, 0.0 0.799 129.4 -58.9 57.9 33.6 63.2 -10.9 -2.2 40 52 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.746 117.6 99.8 72.0 26.6 66.3 -9.5 -3.8 41 53 A L E < S-C 38 0A 65 -3,-0.7 -3,-2.2 1,-0.0 -1,-0.2 -0.968 76.4 -97.9-138.4 153.9 65.2 -5.9 -3.6 42 54 A P E -C 37 0A 25 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.159 38.2-129.5 -65.9 166.0 65.9 -2.9 -1.3 43 55 A T E -C 33 0A 0 -10,-2.7 -10,-3.7 -7,-0.8 2,-0.5 -0.759 11.0-115.5-116.9 164.0 63.5 -2.0 1.6 44 56 A L E -CD 32 164A 0 120,-2.0 120,-2.3 -2,-0.3 2,-0.7 -0.884 29.4-143.9-102.4 125.2 61.8 1.2 2.8 45 57 A R E - D 0 163A 52 -14,-2.7 2,-0.7 -2,-0.5 118,-0.2 -0.790 16.4-174.3 -99.9 110.8 62.9 2.4 6.3 46 58 A L E + D 0 162A 0 116,-1.6 116,-2.5 -2,-0.7 2,-0.4 -0.908 23.7 165.6 -96.7 108.6 60.5 4.0 8.7 47 59 A N E - D 0 161A 25 -2,-0.7 -23,-3.0 -23,-0.4 2,-0.5 -0.912 26.4-170.6-136.8 104.3 62.7 5.1 11.6 48 60 A V E -BD 23 160A 5 112,-1.3 112,-1.0 -2,-0.4 -25,-0.3 -0.859 12.9-166.8 -89.6 127.7 61.8 7.5 14.4 49 61 A Q + 0 0 99 -27,-3.3 2,-0.2 -2,-0.5 -1,-0.1 0.765 58.1 17.0 -95.7 -32.1 65.1 8.1 16.2 50 62 A T S S- 0 0 83 -28,-0.2 110,-0.1 1,-0.1 -29,-0.0 -0.790 72.0-111.5-135.7-179.0 64.1 9.8 19.5 51 63 A T 0 0 78 -2,-0.2 -1,-0.1 108,-0.1 -29,-0.1 0.995 360.0 360.0 -81.1 -74.3 61.1 10.4 21.8 52 64 A V 0 0 85 -32,-0.0 -33,-0.0 2,-0.0 -32,-0.0 0.823 360.0 360.0 62.8 360.0 59.8 14.0 21.9 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 67 A G 0 0 70 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 132.5 55.5 16.0 19.2 55 68 A W - 0 0 62 2,-0.0 -36,-1.8 102,-0.0 2,-0.3 -0.994 360.0-178.5-144.8 146.5 54.3 14.8 15.7 56 69 A W E -G 18 0B 10 -2,-0.3 98,-1.5 -38,-0.2 2,-0.3 -0.988 5.5-179.7-141.1 153.5 55.6 12.9 12.7 57 70 A I E -GH 17 153B 23 -40,-2.6 -40,-2.5 -2,-0.3 2,-0.4 -0.996 11.8-164.4-147.3 147.1 54.0 12.0 9.3 58 71 A S E -GH 16 152B 0 94,-2.8 94,-2.5 -2,-0.3 2,-0.5 -0.955 7.5-170.4-135.6 118.0 55.0 10.1 6.2 59 72 A L E -GH 15 151B 0 -44,-3.0 -44,-0.9 -2,-0.4 2,-0.5 -0.933 0.9-171.7-107.7 125.7 53.2 10.5 3.0 60 73 A L E -GH 14 150B 0 90,-2.8 90,-2.9 -2,-0.5 -46,-0.2 -0.969 22.1-134.3-117.4 114.1 54.0 8.1 0.1 61 74 A T E - H 0 149B 7 -48,-2.3 88,-0.3 -2,-0.5 -48,-0.1 -0.340 9.8-154.6 -70.5 146.0 52.3 9.1 -3.1 62 75 A L S S+ 0 0 7 86,-2.7 -1,-0.1 4,-0.3 87,-0.1 0.825 97.4 7.0 -80.2 -39.4 50.5 6.6 -5.4 63 76 A R S > S- 0 0 104 85,-0.6 3,-1.7 3,-0.5 -1,-0.1 -0.341 120.1 -76.7-144.3 54.2 51.0 8.7 -8.5 64 77 A G T 3 S- 0 0 39 1,-0.3 -50,-0.1 -51,-0.2 3,-0.1 0.766 99.7 -45.7 56.5 33.7 53.3 11.6 -7.6 65 78 A W T 3 S+ 0 0 52 83,-0.4 -1,-0.3 1,-0.4 2,-0.1 0.120 110.4 123.2 93.6 -15.2 50.6 13.6 -5.8 66 79 A N S < S- 0 0 118 -3,-1.7 -3,-0.5 82,-0.1 -1,-0.4 -0.404 70.6-102.3 -67.1 151.7 48.0 13.1 -8.6 67 80 A T - 0 0 69 -3,-0.1 2,-0.4 -2,-0.1 81,-0.2 -0.484 32.7-153.5 -77.2 147.8 44.7 11.4 -7.5 68 81 A H B -I 147 0B 37 79,-2.0 79,-1.7 -2,-0.2 2,-0.7 -0.988 15.5-126.7-128.1 127.6 44.2 7.7 -8.2 69 82 A D + 0 0 86 -2,-0.4 76,-0.3 77,-0.2 3,-0.1 -0.577 38.0 159.6 -73.2 108.5 40.8 6.1 -8.6 70 83 A L >> + 0 0 0 74,-2.8 3,-0.9 -2,-0.7 4,-0.7 0.068 39.2 111.4-113.0 20.9 40.7 3.1 -6.1 71 84 A S H >> S+ 0 0 57 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.840 77.1 51.1 -68.1 -36.0 36.8 2.9 -6.1 72 85 A Q H 34 S+ 0 0 128 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.594 108.8 56.5 -71.4 -12.5 36.8 -0.5 -8.0 73 86 A Y H <> S+ 0 0 10 -3,-0.9 4,-1.7 71,-0.1 59,-0.3 0.599 86.5 76.2 -95.2 -16.3 39.3 -1.7 -5.3 74 87 A V H << S+ 0 0 10 -4,-0.7 59,-0.5 -3,-0.6 -2,-0.1 0.924 82.9 66.0 -65.8 -46.1 37.3 -1.0 -2.1 75 88 A E T < S- 0 0 121 -4,-0.5 -1,-0.2 1,-0.2 58,-0.1 0.882 133.1 -15.1 -38.3 -65.1 34.9 -4.0 -2.5 76 89 A N T 4 S+ 0 0 68 -4,-0.3 96,-0.3 56,-0.1 -1,-0.2 0.407 102.6 123.0-128.4 -2.7 37.5 -6.8 -2.0 77 90 A G < - 0 0 1 -4,-1.7 55,-2.0 94,-0.2 56,-0.5 -0.075 41.5-152.4 -63.9 161.5 40.9 -5.1 -2.5 78 91 A Y E -EF 131 170A 75 92,-2.3 92,-2.0 53,-0.3 2,-0.6 -0.876 20.7-127.8-128.6 160.9 43.8 -5.1 -0.0 79 92 A L E -EF 130 169A 2 51,-2.5 51,-2.5 -2,-0.3 2,-0.4 -0.978 41.8-170.3-102.4 114.2 46.8 -3.0 1.0 80 93 A E E +EF 129 168A 25 88,-2.8 88,-2.6 -2,-0.6 2,-0.3 -0.864 19.6 135.4-114.4 142.6 49.6 -5.6 0.9 81 94 A F E -E 128 0A 1 47,-1.5 47,-2.5 -2,-0.4 2,-0.3 -0.946 44.2-117.0-169.5 160.0 53.2 -5.3 2.1 82 95 A D E -EF 127 165A 11 83,-2.5 83,-2.0 -2,-0.3 2,-0.3 -0.837 36.3-176.4-104.5 149.2 55.8 -7.2 4.0 83 96 A I E +EF 126 164A 1 43,-1.8 43,-1.6 -2,-0.3 2,-0.3 -0.999 16.7 174.9-148.9 142.8 57.2 -5.8 7.3 84 97 A K E - F 0 163A 47 79,-1.5 79,-2.4 -2,-0.3 39,-0.2 -0.985 18.0-142.9-144.9 151.3 59.7 -6.4 10.1 85 98 A G E - F 0 162A 0 37,-2.1 77,-0.2 -2,-0.3 4,-0.0 -0.549 25.3-116.7-106.9 171.8 60.8 -4.4 13.1 86 99 A K S S- 0 0 125 75,-1.8 76,-0.1 -2,-0.2 37,-0.1 0.688 110.4 -8.6 -79.3 -19.9 64.1 -3.8 14.9 87 100 A E S S- 0 0 147 74,-0.3 36,-0.3 35,-0.1 2,-0.1 0.455 107.6-102.0-149.2 -27.4 62.7 -5.5 18.0 88 101 A G S S+ 0 0 28 34,-0.3 34,-0.3 35,-0.1 -2,-0.1 -0.126 87.4 65.0 113.5 154.4 59.0 -6.2 17.6 89 102 A G + 0 0 55 32,-3.1 2,-0.2 1,-0.2 33,-0.1 0.755 62.7 166.7 70.3 26.5 55.6 -4.9 18.6 90 103 A E - 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