==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAR-04 1V0A . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR A.L.CARVALHO,M.J.ROMAO,A.GOYAL,J.A.M.PRATES,V.M.R.PIRES, . 170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 41.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 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+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 . 0 1 0 1 3 1 3 1 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 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 3 A S 0 0 86 0, 0.0 65,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.1 34.5 12.2 51.3 2 4 A A - 0 0 34 63,-2.4 164,-2.8 1,-0.1 2,-0.3 -0.486 360.0-120.1 -76.5 152.8 36.6 9.9 49.2 3 5 A V B S+a 166 0A 84 162,-0.3 2,-0.3 -2,-0.1 164,-0.2 -0.681 70.5 7.2 -93.9 150.3 39.3 11.4 46.9 4 6 A G S S- 0 0 37 162,-1.9 161,-3.1 -2,-0.3 2,-0.3 -0.642 91.3 -59.9 89.9-137.6 39.4 11.0 43.2 5 7 A E E -B 164 0B 102 -2,-0.3 2,-0.3 159,-0.2 159,-0.2 -0.891 21.8-146.9-146.4 168.3 36.7 9.4 41.1 6 8 A K E -B 163 0B 100 157,-2.0 157,-2.9 -2,-0.3 2,-0.2 -0.917 26.0-131.6-144.9 117.2 34.6 6.3 40.3 7 9 A X E +B 162 0B 74 -2,-0.3 155,-0.3 155,-0.2 3,-0.1 -0.483 23.8 176.7 -70.4 131.4 33.4 5.4 36.8 8 10 A L E S- 0 0 26 153,-2.8 2,-0.2 1,-0.2 154,-0.2 0.763 73.0 -5.3 -99.6 -40.3 29.7 4.6 36.4 9 11 A D E +B 161 0B 6 152,-2.4 152,-2.6 1,-0.1 -1,-0.2 -0.781 44.8 163.2-161.4 114.4 29.6 4.2 32.6 10 12 A D - 0 0 59 150,-0.2 28,-0.2 -2,-0.2 26,-0.1 0.301 57.0-124.4-102.4 2.9 32.2 4.8 29.8 11 13 A F S S+ 0 0 10 3,-0.2 28,-0.1 1,-0.1 -2,-0.0 0.583 86.4 106.6 65.0 16.1 30.0 2.7 27.5 12 14 A E S S+ 0 0 85 26,-0.1 -1,-0.1 25,-0.1 3,-0.1 0.588 78.3 44.6 -94.3 -14.5 32.8 0.2 26.7 13 15 A G S S- 0 0 53 1,-0.3 3,-0.0 0, 0.0 -4,-0.0 0.185 110.0 -19.5-101.7-139.5 31.4 -2.5 28.9 14 16 A V S S- 0 0 106 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.249 71.0-100.3 -69.8 157.4 27.8 -3.9 29.3 15 17 A L + 0 0 142 1,-0.1 -1,-0.1 -3,-0.1 -6,-0.0 -0.726 45.9 167.5 -84.0 121.6 24.7 -2.0 28.3 16 18 A N + 0 0 50 -2,-0.6 41,-0.4 -3,-0.0 2,-0.4 0.578 39.7 93.2-110.5 -16.5 23.2 -0.5 31.5 17 19 A W - 0 0 29 39,-0.1 2,-0.3 37,-0.0 39,-0.2 -0.717 47.2-168.7-101.9 131.4 20.6 2.0 30.3 18 20 A G E -G 55 0C 35 37,-2.7 37,-3.0 -2,-0.4 2,-0.3 -0.724 15.7-132.8-106.9 160.7 16.9 1.5 29.7 19 21 A S E +G 54 0C 56 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.862 21.0 178.9-116.2 149.0 14.4 3.9 28.0 20 22 A Y E +G 53 0C 63 33,-2.5 33,-2.2 -2,-0.3 2,-0.3 -0.995 5.7 160.3-147.2 147.6 11.0 5.1 29.1 21 23 A S E +G 52 0C 43 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.973 4.4 170.0-156.7 167.3 8.3 7.4 27.7 22 24 A G E > +G 51 0C 13 29,-2.0 29,-1.9 -2,-0.3 3,-1.5 -0.980 51.7 43.5-170.5 168.5 4.6 8.3 27.9 23 25 A E T 3 S- 0 0 144 -2,-0.3 26,-0.3 1,-0.3 27,-0.2 0.795 128.6 -44.2 55.7 36.5 1.8 10.6 27.0 24 26 A G T 3 S+ 0 0 44 1,-0.4 -1,-0.3 25,-0.1 2,-0.1 0.032 108.8 116.7 104.8 -26.7 2.9 11.0 23.3 25 27 A A < - 0 0 0 -3,-1.5 -1,-0.4 26,-0.1 2,-0.3 -0.405 45.6-159.2 -74.6 152.6 6.7 11.5 23.8 26 28 A K E -C 45 0B 118 19,-2.2 19,-2.6 -5,-0.1 2,-0.3 -0.987 10.2-178.4-136.0 144.5 9.1 8.9 22.4 27 29 A V E +C 44 0B 25 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.998 3.2 178.6-142.7 144.0 12.7 8.0 23.1 28 30 A S E -C 43 0B 70 15,-2.2 15,-2.9 -2,-0.3 2,-0.3 -0.993 9.0-159.6-142.6 147.3 15.3 5.6 21.7 29 31 A T E +C 42 0B 47 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.936 12.3 168.5-127.5 150.6 19.0 4.9 22.6 30 32 A K E -C 41 0B 123 11,-1.7 11,-3.0 -2,-0.3 2,-0.5 -0.986 38.1-101.9-154.8 155.7 21.9 3.3 20.8 31 33 A I E +C 40 0B 64 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.704 52.5 150.2 -81.6 124.7 25.7 2.8 21.1 32 34 A V E -C 39 0B 36 7,-2.9 7,-2.7 -2,-0.5 2,-0.4 -0.636 55.1 -50.1-132.6-168.4 27.7 5.1 18.8 33 35 A S E -C 38 0B 99 5,-0.2 5,-0.3 -2,-0.2 4,-0.1 -0.606 61.9-174.1 -70.4 128.1 31.0 6.9 18.8 34 36 A G - 0 0 12 3,-2.7 5,-0.2 -2,-0.4 3,-0.2 -0.066 47.8 -69.4-102.1-156.0 31.6 8.8 22.1 35 37 A K S S+ 0 0 106 1,-0.4 2,-0.4 3,-0.2 4,-0.1 0.958 128.0 4.3 -63.2 -53.0 34.2 11.1 23.4 36 38 A T S S- 0 0 86 2,-0.3 -1,-0.4 -26,-0.1 124,-0.2 -0.996 134.1 -30.1-130.2 137.0 36.6 8.2 23.5 37 39 A G S S+ 0 0 51 -2,-0.4 -3,-2.7 -3,-0.2 2,-0.2 -0.359 118.6 5.2 58.8-129.3 35.5 4.8 22.2 38 40 A N E +C 33 0B 67 -5,-0.3 -2,-0.3 -28,-0.2 2,-0.3 -0.485 62.1 173.0 -86.9 153.3 31.8 4.2 22.6 39 41 A G E -C 32 0B 0 -7,-2.7 -7,-2.9 -5,-0.2 2,-0.6 -0.915 32.8-105.5-144.1 172.1 29.1 6.5 23.8 40 42 A X E -CD 31 158B 5 118,-2.1 118,-2.4 -2,-0.3 2,-0.4 -0.919 23.4-152.7-108.9 121.6 25.3 6.5 24.0 41 43 A E E -CD 30 157B 24 -11,-3.0 -11,-1.7 -2,-0.6 2,-0.5 -0.772 8.0-160.2 -87.4 131.5 23.1 8.5 21.6 42 44 A V E -CD 29 156B 0 114,-3.3 114,-2.1 -2,-0.4 2,-0.5 -0.966 5.8-170.4-115.4 118.5 19.7 9.5 22.9 43 45 A S E +CD 28 155B 17 -15,-2.9 -15,-2.2 -2,-0.5 2,-0.3 -0.944 13.8 175.0-112.9 123.4 17.1 10.4 20.3 44 46 A Y E -CD 27 154B 9 110,-2.5 110,-2.0 -2,-0.5 2,-0.4 -0.943 26.3-163.6-133.9 147.7 13.9 12.0 21.6 45 47 A T E -C 26 0B 72 -19,-2.6 -19,-2.2 -2,-0.3 108,-0.2 -0.986 24.6-154.4-127.0 121.0 10.6 13.6 20.4 46 48 A G - 0 0 14 -2,-0.4 2,-0.3 106,-0.4 105,-0.2 -0.562 10.2-167.3 -96.6 155.9 8.7 15.6 22.9 47 49 A T - 0 0 47 103,-0.2 -22,-0.1 -2,-0.2 105,-0.1 -0.867 40.3 -98.0-130.0 169.8 5.0 16.5 23.3 48 50 A T S S+ 0 0 114 -2,-0.3 -24,-0.1 1,-0.2 104,-0.1 0.896 123.6 17.6 -54.3 -47.9 3.2 19.1 25.5 49 51 A D S S+ 0 0 129 -26,-0.3 -1,-0.2 102,-0.1 -25,-0.1 0.491 105.4 114.2-101.9 -7.4 2.2 16.5 28.2 50 52 A G - 0 0 2 -27,-0.2 2,-0.3 101,-0.1 -27,-0.2 -0.255 46.4-159.8 -72.4 151.0 4.7 13.8 27.2 51 53 A Y E +G 22 0C 100 -29,-1.9 -29,-2.0 -26,-0.2 2,-0.3 -0.959 11.5 173.6-126.2 148.3 7.6 12.5 29.2 52 54 A W E +G 21 0C 2 -2,-0.3 96,-2.2 -31,-0.2 2,-0.3 -0.984 6.0 152.5-146.9 156.9 10.8 10.7 28.1 53 55 A G E -GH 20 147C 0 -33,-2.2 -33,-2.5 -2,-0.3 2,-0.4 -0.969 34.3-130.4-172.1 161.6 14.0 9.5 29.7 54 56 A T E -GH 19 146C 0 92,-2.5 92,-1.9 -2,-0.3 2,-0.4 -0.992 34.0-162.6-121.6 136.7 16.9 7.1 29.8 55 57 A V E -GH 18 145C 26 -37,-3.0 -37,-2.7 -2,-0.4 2,-0.5 -0.938 25.0-165.0-130.6 137.5 17.8 5.4 33.1 56 58 A Y E - H 0 144C 38 88,-2.3 88,-2.0 -2,-0.4 2,-0.5 -0.973 20.7-153.6-114.4 111.3 20.5 3.6 34.9 57 59 A S E - H 0 143C 74 -2,-0.5 86,-0.2 -41,-0.4 85,-0.1 -0.752 19.9-131.2 -84.5 127.6 19.2 1.9 38.0 58 60 A L - 0 0 24 84,-2.1 3,-0.1 -2,-0.5 -1,-0.0 -0.641 14.0-154.5 -93.7 133.2 22.1 1.5 40.5 59 61 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.815 92.3 42.8 -67.7 -32.9 23.0 -1.8 42.4 60 62 A D - 0 0 101 1,-0.1 80,-0.1 82,-0.0 82,-0.0 -0.974 64.4-175.8-120.1 118.8 24.6 0.2 45.2 61 63 A G + 0 0 5 -2,-0.5 80,-2.7 78,-0.1 2,-1.1 0.374 49.6 107.6 -96.3 3.0 22.8 3.3 46.4 62 64 A D + 0 0 73 78,-0.2 77,-0.3 1,-0.2 3,-0.2 -0.709 24.7 148.2 -90.1 97.1 25.4 4.7 48.9 63 65 A W > + 0 0 8 75,-3.3 3,-2.2 -2,-1.1 76,-0.2 0.126 31.2 118.3-109.4 16.3 27.0 7.7 47.3 64 66 A S T 3 S+ 0 0 48 1,-0.3 -1,-0.1 74,-0.3 75,-0.1 0.653 72.4 57.0 -62.3 -16.1 27.5 9.5 50.7 65 67 A K T 3 S+ 0 0 124 -3,-0.2 -63,-2.4 73,-0.2 -1,-0.3 0.487 96.7 80.6 -90.8 -4.7 31.3 9.5 50.1 66 68 A W < - 0 0 34 -3,-2.2 99,-0.3 -65,-0.2 3,-0.1 -0.682 52.6-170.4-108.2 158.0 31.0 11.4 46.7 67 69 A L + 0 0 68 97,-2.5 49,-2.8 1,-0.3 50,-0.4 0.713 64.4 20.4-117.9 -32.8 30.6 15.1 46.0 68 70 A K E -EF 115 164B 32 96,-2.7 96,-2.9 47,-0.3 2,-0.4 -0.925 56.1-137.5-138.4 161.2 29.9 15.5 42.3 69 71 A I E -EF 114 163B 0 45,-2.5 45,-2.8 -2,-0.3 2,-0.4 -0.987 26.4-168.3-119.0 134.5 28.6 13.7 39.2 70 72 A S E +EF 113 162B 2 92,-3.2 92,-2.6 -2,-0.4 2,-0.3 -0.942 12.3 162.1-127.9 144.8 30.4 14.2 35.8 71 73 A F E -E 112 0B 0 41,-1.8 41,-3.2 -2,-0.4 2,-0.4 -0.988 33.3-123.2-154.4 152.9 29.6 13.4 32.2 72 74 A D E -EF 111 159B 11 87,-2.9 87,-2.0 -2,-0.3 2,-0.3 -0.823 36.0-178.7 -93.3 138.3 30.7 14.4 28.7 73 75 A I E +EF 110 158B 0 37,-2.2 37,-1.8 -2,-0.4 2,-0.3 -0.992 13.0 173.2-142.2 148.6 27.8 15.5 26.4 74 76 A K E - F 0 157B 52 83,-1.7 83,-3.0 -2,-0.3 33,-0.2 -0.981 27.4-123.0-153.1 139.3 27.4 16.7 22.8 75 77 A S E F 0 156B 26 31,-3.5 81,-0.3 -2,-0.3 31,-0.1 -0.455 360.0 360.0 -77.2 155.5 24.4 17.5 20.6 76 78 A V 0 0 101 79,-2.8 -1,-0.1 -2,-0.1 80,-0.1 0.474 360.0 360.0-116.3 360.0 23.8 15.7 17.2 77 ! 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 78 82 A A 0 0 106 0, 0.0 2,-0.4 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 114.5 20.5 22.7 20.9 79 83 A N - 0 0 30 26,-0.2 2,-0.1 76,-0.1 24,-0.1 -0.973 360.0-111.3-123.6 136.5 17.6 21.8 23.2 80 84 A E + 0 0 84 -2,-0.4 69,-0.5 24,-0.2 70,-0.2 -0.380 39.2 171.9 -67.4 136.5 17.6 21.8 27.0 81 85 A I E -IJ 103 148C 0 22,-2.9 22,-2.6 67,-0.1 2,-0.4 -0.775 24.4-117.8-129.6 179.2 17.4 18.5 28.9 82 86 A R E -IJ 102 147C 21 65,-2.7 65,-2.9 20,-0.2 2,-0.5 -0.971 3.0-148.0-125.2 138.1 17.6 17.5 32.5 83 87 A F E -IJ 101 146C 0 18,-3.0 18,-1.7 -2,-0.4 2,-0.4 -0.918 31.3-166.6 -93.4 130.1 20.0 15.3 34.4 84 88 A X E -IJ 100 145C 2 61,-2.5 61,-2.6 -2,-0.5 2,-0.5 -0.962 20.6-163.3-128.1 135.9 18.0 13.7 37.3 85 89 A I E -IJ 99 144C 0 14,-2.9 14,-2.3 -2,-0.4 2,-0.5 -0.978 14.4-160.7-113.0 126.0 18.9 11.8 40.4 86 90 A A E -IJ 98 143C 0 57,-2.5 56,-2.9 -2,-0.5 57,-1.5 -0.916 7.5-143.1-108.0 132.0 16.1 9.8 42.1 87 91 A E E - 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