==== 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 2J72 . 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) . 11277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 65.4 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 . 26 12.7 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 6 A T 0 0 162 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 2.8 24.7 -14.4 8.4 2 7 A E - 0 0 100 51,-0.2 2,-0.4 54,-0.0 54,-0.1 -0.947 360.0-141.3-140.5 160.5 26.3 -11.0 7.7 3 8 A T E -A 52 0A 0 49,-2.6 49,-2.7 -2,-0.3 2,-0.5 -1.000 15.5-161.8-121.7 132.4 29.4 -9.1 8.6 4 9 A T E -Ab 51 85A 25 80,-2.6 82,-1.8 -2,-0.4 2,-0.4 -0.967 7.7-176.5-116.9 125.9 29.1 -5.4 9.2 5 10 A I E -Ab 50 86A 0 45,-2.7 45,-3.3 -2,-0.5 2,-0.6 -0.983 12.0-157.8-126.9 122.7 32.3 -3.2 9.0 6 11 A V E -Ab 49 87A 33 80,-2.4 82,-2.4 -2,-0.4 2,-0.5 -0.954 14.4-164.9 -99.9 119.9 32.2 0.5 9.8 7 12 A V E -Ab 48 88A 0 41,-2.7 41,-2.6 -2,-0.6 2,-0.4 -0.941 6.3-162.7-112.3 122.1 35.2 2.2 8.2 8 13 A H E -Ab 47 89A 10 80,-2.5 82,-2.6 -2,-0.5 2,-0.4 -0.908 13.1-173.4-100.7 130.7 36.3 5.7 9.3 9 14 A Y E -Ab 46 90A 0 37,-2.4 37,-1.8 -2,-0.4 2,-0.4 -0.993 8.4-173.9-135.8 126.3 38.6 7.5 6.8 10 15 A H E - b 0 91A 15 80,-2.2 82,-2.6 -2,-0.4 2,-0.5 -0.986 4.2-169.6-124.4 128.9 40.4 10.8 7.2 11 16 A R > - 0 0 20 -2,-0.4 3,-1.2 80,-0.2 5,-0.1 -0.948 16.9-150.0-110.3 128.0 42.5 12.6 4.5 12 17 A Y T 3 S+ 0 0 32 -2,-0.5 -1,-0.1 1,-0.2 103,-0.1 0.746 96.5 60.9 -69.9 -20.1 44.5 15.5 5.7 13 18 A D T 3 S- 0 0 47 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.591 99.4-134.3 -85.1 -5.8 44.1 17.1 2.2 14 19 A G < + 0 0 53 -3,-1.2 2,-0.9 1,-0.1 -2,-0.1 0.584 66.4 125.8 70.4 15.7 40.3 17.2 2.4 15 20 A K + 0 0 156 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.756 18.0 150.2-114.5 82.6 40.0 15.8 -1.1 16 21 A Y > + 0 0 33 -2,-0.9 3,-1.9 -5,-0.1 -1,-0.2 0.590 22.8 129.3 -93.4 -7.6 37.7 12.7 -0.8 17 22 A D T 3 S+ 0 0 153 1,-0.3 3,-0.1 48,-0.1 -2,-0.0 -0.180 82.4 4.8 -61.7 129.7 36.1 12.7 -4.3 18 23 A G T 3 S+ 0 0 26 1,-0.3 48,-2.6 47,-0.1 -1,-0.3 0.163 91.8 133.4 84.3 -19.7 36.3 9.3 -5.9 19 24 A W E < +F 65 0B 26 -3,-1.9 19,-0.4 46,-0.2 2,-0.3 -0.480 27.0 155.6 -67.5 133.6 37.9 7.5 -2.9 20 25 A N E -F 64 0B 5 44,-2.5 44,-2.7 -2,-0.1 2,-0.5 -0.885 38.6 -99.5-151.9 174.6 36.2 4.2 -2.2 21 26 A L E -FG 63 36B 0 15,-2.7 15,-2.8 -2,-0.3 2,-0.7 -0.919 13.3-158.6-118.1 127.7 37.0 0.8 -0.5 22 27 A W E +FG 62 35B 43 40,-3.0 40,-1.9 -2,-0.5 2,-0.4 -0.925 26.4 175.8-102.5 113.6 38.0 -2.4 -2.1 23 28 A I E +FG 61 34B 1 11,-2.4 11,-1.7 -2,-0.7 38,-0.2 -0.969 7.1 179.9-126.7 132.5 37.1 -5.1 0.4 24 29 A W E -F 60 0B 32 36,-1.7 36,-2.9 -2,-0.4 9,-0.2 -0.993 32.1-107.7-133.6 143.6 37.4 -8.9 -0.0 25 30 A P E +F 59 0B 6 0, 0.0 6,-1.5 0, 0.0 34,-0.2 -0.411 38.3 165.2 -62.9 141.2 36.7 -11.9 2.2 26 31 A V E + 0 0 38 32,-2.4 33,-0.2 1,-0.4 52,-0.0 0.671 46.3 65.0-127.9 -43.7 39.8 -13.6 3.4 27 32 A E E S+F 58 0B 103 31,-1.8 30,-2.1 1,-0.2 31,-1.9 -0.993 111.6 2.7-134.2 148.6 38.8 -15.9 6.3 28 33 A P S S+ 0 0 90 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.998 144.6 18.0 -76.9 -4.0 37.2 -18.3 6.7 29 34 A V - 0 0 59 29,-0.2 2,-0.5 2,-0.0 29,-0.1 -0.981 65.3-144.0-126.8 147.4 36.8 -17.9 2.9 30 35 A S + 0 0 96 -2,-0.4 2,-0.3 29,-0.0 -4,-0.2 -0.937 31.6 159.2-106.0 123.6 38.7 -16.0 0.2 31 36 A Q - 0 0 105 -6,-1.5 -2,-0.0 -2,-0.5 0, 0.0 -0.951 48.1 -82.2-139.0 159.2 36.7 -14.5 -2.6 32 37 A E - 0 0 159 -2,-0.3 -9,-0.0 -8,-0.1 2,-0.0 -0.318 56.3-118.6 -61.3 147.2 37.2 -11.7 -5.2 33 38 A G - 0 0 10 -9,-0.2 2,-0.3 -11,-0.0 -9,-0.2 -0.036 18.5-146.4 -83.7-177.3 36.4 -8.3 -3.7 34 39 A K E -G 23 0B 136 -11,-1.7 -11,-2.4 -13,-0.1 2,-0.4 -0.919 23.7-104.5-145.4 160.7 33.9 -5.5 -4.4 35 40 A A E -G 22 0B 38 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.796 30.8-164.8 -94.0 136.3 34.0 -1.7 -4.2 36 41 A Y E -G 21 0B 43 -15,-2.8 -15,-2.7 -2,-0.4 2,-0.2 -0.977 9.2-141.5-123.0 138.2 32.1 0.0 -1.3 37 42 A Q - 0 0 115 -2,-0.4 12,-0.3 -17,-0.2 2,-0.2 -0.595 27.2 -99.2 -97.7 152.5 31.3 3.7 -1.2 38 43 A F - 0 0 39 -19,-0.4 10,-0.3 -2,-0.2 -1,-0.1 -0.555 33.8-172.9 -67.3 137.3 31.4 6.1 1.7 39 44 A T - 0 0 94 8,-2.4 2,-0.3 -2,-0.2 9,-0.2 0.362 58.0 -5.6-114.5 -11.6 27.8 6.5 3.1 40 45 A G E -C 47 0A 36 7,-2.0 7,-2.7 2,-0.0 2,-0.3 -0.919 59.5-121.3-163.9-165.5 28.3 9.2 5.7 41 46 A E E +C 46 0A 127 5,-0.3 2,-0.2 -2,-0.3 5,-0.2 -0.966 18.5 172.9-153.1 153.4 30.5 11.6 7.6 42 47 A D E > -C 45 0A 61 3,-2.6 3,-0.5 -2,-0.3 -2,-0.0 -0.818 57.2 -69.8-149.0-167.4 31.6 12.5 11.1 43 48 A D T 3 S+ 0 0 99 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.599 129.8 49.2 -69.7 -11.0 34.1 14.7 12.9 44 49 A F T 3 S- 0 0 2 1,-0.3 2,-0.3 73,-0.1 -1,-0.2 0.699 120.0 -91.6 -96.3 -26.0 37.0 12.3 11.8 45 50 A G E < S- C 0 42A 7 -3,-0.5 -3,-2.6 -35,-0.1 -1,-0.3 -0.998 73.5 -2.1 151.1-151.8 36.1 12.1 8.1 46 51 A K E -AC 9 41A 53 -37,-1.8 -37,-2.4 -2,-0.3 2,-0.4 -0.398 56.2-149.5 -74.3 154.7 34.1 9.9 5.9 47 52 A V E -AC 8 40A 19 -7,-2.7 -8,-2.4 -39,-0.2 -7,-2.0 -0.990 9.1-169.1-128.3 134.4 32.2 6.9 7.1 48 53 A A E -A 7 0A 0 -41,-2.6 -41,-2.7 -2,-0.4 2,-0.7 -0.993 9.1-159.1-121.0 131.9 31.4 3.6 5.3 49 54 A V E -A 6 0A 65 -2,-0.4 2,-0.5 -12,-0.3 -43,-0.2 -0.945 20.6-166.3-107.0 109.9 29.0 1.0 6.6 50 55 A V E -A 5 0A 1 -45,-3.3 -45,-2.7 -2,-0.7 2,-0.5 -0.876 8.2-166.9-106.6 126.6 30.0 -2.2 4.7 51 56 A K E -A 4 0A 130 -2,-0.5 -47,-0.2 -47,-0.2 -2,-0.0 -0.965 3.2-173.7-121.2 120.8 27.7 -5.2 4.7 52 57 A L E -A 3 0A 3 -49,-2.7 -49,-2.6 -2,-0.5 2,-0.9 -0.934 27.1-130.9-113.3 133.3 29.1 -8.6 3.5 53 58 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -51,-0.2 -0.168 81.9 61.7 -87.0 41.9 26.6 -11.5 3.2 54 59 A M S S- 0 0 44 -2,-0.9 2,-0.7 -51,-0.1 -2,-0.2 -0.945 90.2-100.6-148.7 161.1 28.8 -14.1 5.1 55 60 A D - 0 0 100 -2,-0.3 2,-0.4 -54,-0.1 -52,-0.1 -0.829 51.5-178.3 -86.8 115.6 30.2 -14.5 8.6 56 61 A L - 0 0 2 -2,-0.7 28,-0.4 -4,-0.1 3,-0.1 -0.922 33.6-171.3-122.8 143.1 33.8 -13.5 8.2 57 62 A T S S+ 0 0 57 -30,-2.1 24,-2.6 -2,-0.4 2,-0.3 0.539 82.0 23.0-105.4 -17.9 36.7 -13.3 10.7 58 63 A K E +FH 27 80B 81 -31,-1.9 -32,-2.4 22,-0.2 -31,-1.8 -0.972 60.9 179.0-149.9 138.1 39.1 -11.5 8.3 59 64 A V E -FH 25 79B 0 20,-1.9 20,-2.7 -2,-0.3 2,-0.3 -0.944 24.3-127.7-126.7 156.7 38.7 -9.2 5.3 60 65 A G E -FH 24 78B 0 -36,-2.9 -36,-1.7 -2,-0.3 2,-0.3 -0.699 26.1-168.2 -94.4 154.5 41.2 -7.5 3.0 61 66 A I E +FH 23 77B 0 16,-2.3 16,-1.3 -2,-0.3 2,-0.4 -0.993 14.0 179.8-145.9 136.0 40.9 -3.7 2.4 62 67 A I E -F 22 0B 8 -40,-1.9 -40,-3.0 -2,-0.3 2,-0.7 -0.987 24.5-139.4-131.0 130.7 42.5 -1.3 -0.1 63 68 A V E +FH 21 72B 0 9,-0.5 9,-2.7 -2,-0.4 2,-0.3 -0.847 37.5 179.8 -86.5 117.9 41.5 2.4 -0.1 64 69 A R E -FH 20 71B 17 -44,-2.7 -44,-2.5 -2,-0.7 2,-0.6 -0.900 32.1-124.3-130.1 152.8 41.4 3.2 -3.8 65 70 A L E >>S-FH 19 70B 37 5,-2.5 4,-2.4 -2,-0.3 5,-0.6 -0.841 72.3 -51.8 -98.0 117.0 40.7 6.2 -6.1 66 71 A N T 45S- 0 0 70 -48,-2.6 2,-1.5 -2,-0.6 -46,-0.1 -0.220 122.9 -11.2 50.1-141.5 37.9 5.5 -8.7 67 72 A E T 45S- 0 0 167 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 -0.641 128.5 -53.4 -89.7 79.0 38.7 2.2 -10.6 68 73 A W T 45S+ 0 0 107 -2,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.724 89.9 141.3 59.3 32.4 42.3 1.7 -9.4 69 74 A Q T <5S- 0 0 140 -4,-2.4 2,-0.3 1,-0.2 -3,-0.1 0.844 80.3 -15.6 -62.9 -31.0 43.5 5.2 -10.4 70 75 A A E < -H 65 0B 39 -5,-0.6 -5,-2.5 -4,-0.1 2,-0.4 -0.954 59.9-134.2-164.3 163.5 45.6 5.1 -7.2 71 76 A K E -H 64 0B 93 -2,-0.3 2,-1.1 -7,-0.2 3,-0.3 -0.994 16.5-138.8-126.3 130.0 45.9 3.2 -3.9 72 77 A D E S+H 63 0B 13 -9,-2.7 -9,-0.5 -2,-0.4 3,-0.1 -0.819 101.4 6.1 -93.8 99.8 46.2 5.1 -0.6 73 78 A V E S- 0 0 27 -2,-1.1 2,-1.8 1,-0.1 -1,-0.3 0.862 90.3-138.9 75.4 95.3 48.8 2.7 0.8 74 79 A A E + 0 0 77 -3,-0.3 2,-0.3 -12,-0.1 -1,-0.1 -0.405 69.5 78.9 -88.1 59.4 49.5 0.4 -2.1 75 80 A K E S- 0 0 100 -2,-1.8 2,-0.1 -3,-0.1 -3,-0.0 -0.971 89.1 -87.7-152.3 155.1 49.7 -3.0 -0.3 76 81 A D E - 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