==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-06 2J73 . COMPND 2 MOLECULE: PULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.LAMMERTS VAN BUEREN,A.B.BORASTON . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 38.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2.0 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 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 4 0 0 0 4 2 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 2 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 5 A F 0 0 226 0, 0.0 55,-0.4 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 -9.2 17.3 1.5 8.9 2 6 A T + 0 0 108 53,-0.2 2,-0.3 1,-0.1 54,-0.1 0.192 360.0 56.0-132.1 13.0 19.0 4.1 6.6 3 7 A E - 0 0 110 51,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.998 51.9-164.2-151.5 148.4 22.5 4.4 8.0 4 8 A T E -A 53 0A 0 49,-2.2 49,-2.9 -2,-0.3 2,-0.4 -0.997 6.2-165.7-130.3 133.1 25.6 2.3 8.8 5 9 A T E -Ab 52 86A 24 80,-2.5 82,-1.8 -2,-0.4 2,-0.5 -0.989 3.9-173.0-123.3 129.0 28.5 3.3 11.0 6 10 A I E -Ab 51 87A 0 45,-2.4 45,-2.9 -2,-0.4 2,-0.6 -0.979 11.1-154.9-120.1 125.4 31.8 1.3 11.0 7 11 A V E -Ab 50 88A 32 80,-2.7 82,-2.4 -2,-0.5 2,-0.5 -0.908 15.7-167.5 -97.7 119.3 34.5 2.1 13.5 8 12 A V E -Ab 49 89A 0 41,-2.5 41,-2.3 -2,-0.6 2,-0.4 -0.952 6.5-163.4-112.9 126.1 37.9 1.0 12.1 9 13 A H E -Ab 48 90A 8 80,-2.5 82,-2.6 -2,-0.5 2,-0.4 -0.874 9.9-169.7-104.8 136.7 41.1 0.8 14.2 10 14 A Y E -Ab 47 91A 0 37,-2.3 37,-1.9 -2,-0.4 2,-0.4 -0.987 6.3-169.2-136.1 128.5 44.4 0.6 12.4 11 15 A H E - b 0 92A 12 80,-2.3 82,-2.5 -2,-0.4 2,-0.4 -0.965 0.8-172.3-121.6 127.6 47.9 -0.2 13.9 12 16 A R > - 0 0 28 -2,-0.4 3,-1.1 80,-0.2 5,-0.1 -0.926 27.8-130.6-111.6 143.6 51.2 0.2 12.0 13 17 A Y T 3 S+ 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 102,-0.1 0.818 108.1 45.9 -64.6 -32.9 54.5 -1.0 13.6 14 18 A D T 3 S- 0 0 89 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.550 103.1-130.0 -86.4 -7.9 56.3 2.2 12.9 15 19 A G < + 0 0 45 -3,-1.1 2,-0.8 1,-0.2 -2,-0.1 0.537 64.4 131.9 72.0 7.0 53.4 4.4 14.2 16 20 A K + 0 0 145 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.814 20.3 162.4-101.2 107.6 53.5 6.6 11.1 17 21 A Y > + 0 0 32 -2,-0.8 3,-2.1 -3,-0.1 -1,-0.1 0.523 20.0 136.5-104.7 -4.7 50.0 7.0 9.7 18 22 A D T 3 S+ 0 0 153 1,-0.3 3,-0.1 48,-0.1 -2,-0.0 -0.153 80.4 5.4 -55.6 127.7 50.3 10.0 7.4 19 23 A G T 3 S+ 0 0 12 1,-0.3 48,-2.5 47,-0.1 -1,-0.3 0.106 92.7 129.4 89.8 -21.8 48.4 9.4 4.2 20 24 A W E < +F 66 0B 25 -3,-2.1 19,-0.5 46,-0.2 -1,-0.3 -0.450 29.4 157.8 -69.6 140.6 46.9 6.1 5.1 21 25 A N E -F 65 0B 3 44,-2.7 44,-2.7 17,-0.1 2,-0.5 -0.900 37.8-101.2-154.9 174.8 43.2 5.9 4.5 22 26 A L E -FG 64 37B 0 15,-2.7 15,-2.6 -2,-0.3 2,-0.7 -0.938 14.1-157.1-118.4 123.8 40.4 3.4 3.9 23 27 A W E +FG 63 36B 46 40,-3.1 40,-2.2 -2,-0.5 2,-0.4 -0.915 27.1 176.7 -96.0 115.4 38.8 2.4 0.6 24 28 A I E -FG 62 35B 0 11,-2.2 11,-1.6 -2,-0.7 38,-0.2 -0.967 9.7-177.3-128.6 132.1 35.3 1.0 1.5 25 29 A W E -F 61 0B 37 36,-1.8 36,-2.5 -2,-0.4 9,-0.2 -0.989 31.2-109.9-131.5 140.9 32.6 -0.2 -0.8 26 30 A P E +F 60 0B 5 0, 0.0 6,-2.1 0, 0.0 34,-0.2 -0.481 38.0 164.6 -61.1 135.4 29.0 -1.5 -0.2 27 31 A V E + 0 0 34 32,-2.5 4,-0.2 1,-0.4 33,-0.2 0.670 47.9 68.7-112.9 -53.9 28.7 -5.2 -1.0 28 32 A E E S-F 59 0B 87 31,-2.1 30,-2.1 2,-0.2 31,-1.8 -0.999 106.8 -2.3-137.7 138.5 25.4 -6.3 0.6 29 33 A P S S+ 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.977 143.0 11.4 -81.9 -11.1 22.5 -5.9 0.3 30 34 A V S S- 0 0 88 2,-0.0 -2,-0.2 0, 0.0 2,-0.2 -0.990 76.7-140.2-131.4 120.1 23.3 -3.5 -2.6 31 35 A S + 0 0 88 -2,-0.4 2,-0.3 -4,-0.2 -4,-0.2 -0.506 26.1 168.0 -84.0 147.2 26.7 -3.2 -4.1 32 36 A Q - 0 0 116 -6,-2.1 2,-0.0 -2,-0.2 -2,-0.0 -0.963 41.4 -86.4-147.4 159.5 28.3 0.1 -5.1 33 37 A E - 0 0 155 -2,-0.3 -9,-0.0 1,-0.1 2,-0.0 -0.348 56.1-106.9 -61.7 158.1 31.7 1.4 -6.1 34 38 A G - 0 0 8 -9,-0.2 2,-0.3 -11,-0.0 -9,-0.2 -0.142 25.9-157.8 -86.4 174.2 33.9 2.5 -3.2 35 39 A K E -G 24 0B 146 -11,-1.6 -11,-2.2 -13,-0.1 2,-0.4 -0.948 26.2-101.5-143.5 164.7 35.0 5.8 -1.8 36 40 A A E -G 23 0B 39 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.725 31.0-167.2 -96.0 139.9 37.9 6.9 0.4 37 41 A Y E -G 22 0B 54 -15,-2.6 -15,-2.7 -2,-0.4 2,-0.3 -0.972 11.0-138.9-127.6 137.4 37.5 7.6 4.1 38 42 A Q - 0 0 111 -2,-0.4 12,-0.3 -17,-0.2 2,-0.2 -0.665 24.2-101.6 -98.2 152.6 39.9 9.3 6.4 39 43 A F - 0 0 37 -19,-0.5 10,-0.3 -2,-0.3 3,-0.1 -0.523 32.4-176.1 -67.3 138.9 41.0 8.6 10.0 40 44 A T + 0 0 93 8,-2.4 2,-0.2 -2,-0.2 9,-0.2 0.418 57.9 9.0-115.8 -15.3 39.3 10.9 12.4 41 45 A G E -C 48 0A 29 7,-2.1 7,-2.3 2,-0.0 2,-0.3 -0.855 58.5-129.6-159.7-174.1 40.9 10.0 15.8 42 46 A E E +C 47 0A 151 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.967 18.7 169.2-150.1 152.6 43.6 8.1 17.7 43 47 A D E > -C 46 0A 61 3,-2.1 3,-0.6 -2,-0.3 -2,-0.0 -0.854 58.4 -72.0-150.7-168.8 43.8 5.7 20.7 44 48 A D T 3 S+ 0 0 109 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.699 128.9 51.7 -69.5 -14.4 46.4 3.5 22.2 45 49 A F T 3 S- 0 0 2 1,-0.3 2,-0.3 72,-0.0 -1,-0.2 0.751 119.7 -93.7 -88.7 -25.5 46.2 1.0 19.3 46 50 A G E < S- C 0 43A 10 -3,-0.6 -3,-2.1 -35,-0.1 -1,-0.3 -0.996 73.1 -1.6 146.0-142.3 46.6 3.5 16.5 47 51 A K E -AC 10 42A 63 -37,-1.9 -37,-2.3 -2,-0.3 2,-0.4 -0.449 53.5-151.0 -88.4 159.7 44.3 5.5 14.3 48 52 A V E -AC 9 41A 19 -7,-2.3 -8,-2.4 -39,-0.2 -7,-2.1 -0.988 6.4-167.2-128.1 134.1 40.5 5.4 14.3 49 53 A A E -A 8 0A 0 -41,-2.3 -41,-2.5 -2,-0.4 2,-0.6 -0.992 8.3-158.2-118.4 129.4 38.1 6.1 11.5 50 54 A V E -A 7 0A 57 -2,-0.4 2,-0.5 -12,-0.3 -43,-0.2 -0.951 19.5-167.3-100.8 110.7 34.4 6.6 12.1 51 55 A V E -A 6 0A 1 -45,-2.9 -45,-2.4 -2,-0.6 2,-0.5 -0.908 5.7-168.2-108.8 122.2 32.8 5.7 8.7 52 56 A K E -A 5 0A 116 -2,-0.5 -47,-0.2 -47,-0.2 -2,-0.0 -0.936 3.0-173.7-116.8 128.9 29.2 6.6 8.1 53 57 A L E -A 4 0A 3 -49,-2.9 -49,-2.2 -2,-0.5 2,-1.4 -0.979 27.7-130.6-123.5 132.4 27.3 5.3 5.1 54 58 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -51,-0.2 -0.173 82.5 64.3 -82.2 43.7 23.8 6.5 4.2 55 59 A M S S- 0 0 51 -2,-1.4 2,-0.9 -51,-0.1 -53,-0.2 -0.960 90.5-100.5-150.4 166.8 22.3 3.0 3.8 56 60 A D - 0 0 64 -55,-0.4 2,-0.4 -2,-0.3 -52,-0.1 -0.835 51.1-175.8 -94.7 106.9 21.6 -0.1 5.9 57 61 A L - 0 0 1 -2,-0.9 28,-0.4 -4,-0.1 3,-0.1 -0.848 31.4-176.8-112.8 141.7 24.5 -2.4 5.0 58 62 A T S S+ 0 0 68 -30,-2.1 24,-2.5 -2,-0.4 2,-0.3 0.556 79.4 22.5-104.1 -17.6 25.3 -6.0 6.1 59 63 A K E +FH 28 81B 67 -31,-1.8 -32,-2.5 22,-0.2 -31,-2.1 -0.962 60.2 176.6-152.2 135.9 28.7 -6.3 4.2 60 64 A V E -FH 26 80B 0 20,-2.0 20,-2.4 -2,-0.3 2,-0.3 -0.923 25.4-126.9-128.3 156.2 31.3 -3.9 2.9 61 65 A G E -FH 25 79B 0 -36,-2.5 -36,-1.8 -2,-0.3 2,-0.3 -0.730 28.1-169.7 -89.0 154.8 34.7 -4.3 1.2 62 66 A I E +FH 24 78B 0 16,-2.5 16,-1.2 -2,-0.3 2,-0.4 -0.996 15.0 179.2-147.4 138.3 37.7 -2.6 2.6 63 67 A I E -F 23 0B 6 -40,-2.2 -40,-3.1 -2,-0.3 2,-0.6 -0.995 24.9-136.7-133.0 136.4 41.3 -1.9 1.5 64 68 A V E +FH 22 73B 0 9,-0.5 9,-2.7 -2,-0.4 2,-0.3 -0.835 37.1 176.8 -89.9 122.7 43.8 0.0 3.5 65 69 A R E -FH 21 72B 17 -44,-2.7 -44,-2.7 -2,-0.6 2,-0.6 -0.914 34.6-121.8-134.2 154.9 45.6 2.3 1.1 66 70 A L E >>S-FH 20 71B 37 5,-2.5 4,-2.6 -2,-0.3 5,-0.6 -0.880 74.3 -53.8-101.2 115.2 48.3 5.0 1.1 67 71 A N T 45S- 0 0 54 -48,-2.5 2,-1.6 -2,-0.6 -46,-0.1 -0.191 123.1 -9.0 48.9-136.7 46.9 8.2 -0.5 68 72 A E T 45S- 0 0 150 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.510 127.6 -56.6 -91.6 71.1 45.5 7.5 -4.0 69 73 A W T 45S+ 0 0 99 -2,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.753 88.5 142.0 62.6 34.8 46.6 4.0 -4.3 70 74 A Q T <5S- 0 0 139 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.845 81.6 -14.3 -64.1 -32.2 50.3 4.6 -3.8 71 75 A A E < -H 66 0B 41 -5,-0.6 -5,-2.5 -4,-0.1 2,-0.4 -0.966 62.6-133.5-159.8 160.4 50.3 1.3 -1.9 72 76 A K E -H 65 0B 100 -2,-0.3 2,-0.8 -7,-0.2 -7,-0.2 -0.970 12.3-142.0-118.0 145.6 48.0 -1.2 -0.3 73 77 A D E S+H 64 0B 10 -9,-2.7 -9,-0.5 -2,-0.4 22,-0.1 -0.886 98.0 3.6-106.5 97.3 48.5 -2.7 3.2 74 78 A V E S- 0 0 25 -2,-0.8 -1,-0.4 -11,-0.1 -10,-0.3 0.749 83.6-144.3 78.3 109.7 47.3 -6.2 2.4 75 79 A A E + 0 0 70 -3,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.784 67.5 85.8 -82.1 -21.8 46.6 -6.2 -1.3 76 80 A K E S- 0 0 110 1,-0.1 2,-0.1 -4,-0.1 -3,-0.0 -0.365 88.4 -95.9 -81.2 154.6 43.6 -8.5 -1.6 77 81 A D E - 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