==== 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 2J71 . COMPND 2 MOLECULE: PULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.LAMMERTS VAN BUEREN,A.B.BORASTON . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 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 . 16 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 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 . 2 2 1 1 0 0 1 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 1 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 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 T 0 0 112 0, 0.0 2,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 150.4 6.9 -6.7 23.8 2 6 A E - 0 0 117 53,-0.1 2,-0.4 51,-0.1 53,-0.1 -0.406 360.0-106.0 -85.6 174.7 6.6 -4.2 20.9 3 7 A T E -A 52 0A 0 49,-2.5 49,-2.3 51,-0.3 2,-0.4 -0.897 28.2-173.0-115.0 134.7 9.6 -2.2 19.7 4 8 A T E -Ab 51 85A 40 80,-2.1 82,-2.0 -2,-0.4 2,-0.5 -0.986 3.6-176.8-128.2 119.2 10.4 1.4 20.3 5 9 A I E -Ab 50 86A 0 45,-2.9 45,-3.3 -2,-0.4 2,-0.6 -0.973 9.1-161.7-116.4 122.2 13.3 3.1 18.6 6 10 A V E -Ab 49 87A 33 80,-2.4 82,-2.2 -2,-0.5 2,-0.5 -0.955 12.8-165.6-100.2 124.5 14.1 6.7 19.4 7 11 A V E -Ab 48 88A 0 41,-2.9 41,-2.1 -2,-0.6 2,-0.4 -0.960 7.9-164.4-118.3 125.9 16.3 8.2 16.7 8 12 A H E -Ab 47 89A 10 80,-2.2 82,-2.2 -2,-0.5 2,-0.4 -0.889 12.1-173.5-103.9 133.0 18.2 11.5 17.1 9 13 A Y E -Ab 46 90A 0 37,-2.2 37,-2.1 -2,-0.4 2,-0.4 -0.987 7.3-171.9-136.7 133.0 19.6 13.1 13.9 10 14 A H E - b 0 91A 60 80,-2.4 82,-2.5 -2,-0.4 2,-0.5 -0.975 6.0-165.1-127.5 128.9 21.8 16.1 13.5 11 15 A R > - 0 0 18 -2,-0.4 3,-1.3 80,-0.2 5,-0.1 -0.950 13.4-152.6-110.9 126.7 22.7 17.8 10.3 12 16 A Y T 3 S+ 0 0 173 -2,-0.5 -1,-0.1 1,-0.3 79,-0.0 0.830 99.0 56.5 -68.3 -28.5 25.6 20.2 10.4 13 17 A D T 3 S- 0 0 60 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.574 101.9-136.0 -77.9 -7.0 24.1 22.2 7.5 14 18 A G < + 0 0 49 -3,-1.3 2,-0.9 1,-0.1 -2,-0.1 0.539 64.7 125.6 65.3 9.1 20.9 22.7 9.5 15 19 A K + 0 0 147 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.788 20.0 155.4-105.9 90.7 18.8 21.9 6.4 16 20 A Y > + 0 0 45 -2,-0.9 3,-2.4 -5,-0.1 -1,-0.2 0.575 21.7 132.0 -94.9 -9.2 16.4 19.0 7.4 17 21 A D T 3 S+ 0 0 159 1,-0.3 3,-0.1 48,-0.1 -2,-0.0 -0.177 82.6 4.4 -53.9 126.5 13.5 19.6 4.9 18 22 A G T 3 S+ 0 0 22 1,-0.3 48,-2.8 47,-0.1 -1,-0.3 0.186 93.5 132.7 85.5 -11.1 12.6 16.3 3.3 19 23 A W E < +F 65 0B 35 -3,-2.4 19,-0.4 46,-0.2 -1,-0.3 -0.524 27.0 156.6 -74.5 131.2 15.0 14.1 5.3 20 24 A N E -F 64 0B 16 44,-2.0 44,-3.2 -2,-0.3 2,-0.7 -0.945 38.3-103.1-148.6 162.6 13.3 11.0 6.7 21 25 A L E -FG 63 36B 0 15,-2.3 15,-2.0 -2,-0.3 2,-0.6 -0.887 15.4-157.2 -94.4 122.4 14.2 7.4 8.0 22 26 A W E +FG 62 35B 60 40,-2.5 40,-1.6 -2,-0.7 2,-0.4 -0.866 24.2 177.3 -71.9 112.5 13.7 4.3 6.1 23 27 A I E +FG 61 34B 1 11,-2.2 11,-2.2 -2,-0.6 38,-0.2 -0.946 8.8 178.5-125.4 133.5 13.6 1.4 8.7 24 28 A W E -F 60 0B 37 36,-1.3 36,-2.9 -2,-0.4 9,-0.2 -0.995 34.7-105.6-133.9 139.1 12.9 -2.3 8.1 25 29 A P E +F 59 0B 7 0, 0.0 6,-1.8 0, 0.0 34,-0.2 -0.377 38.6 167.2 -55.4 134.3 12.8 -5.4 10.5 26 30 A V E + 0 0 18 32,-2.5 33,-0.2 1,-0.4 52,-0.0 0.631 47.2 69.8-118.3 -42.7 15.9 -7.5 10.2 27 31 A E E S-F 58 0B 87 31,-2.2 30,-2.3 1,-0.2 31,-1.8 -1.000 110.4 -0.1-139.4 142.1 15.8 -9.9 13.2 28 32 A P S S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.995 144.0 16.2 -76.2 -6.1 14.2 -12.2 14.1 29 33 A V - 0 0 61 29,-0.2 2,-0.5 2,-0.0 29,-0.1 -0.961 67.3-136.7-127.9 142.4 12.4 -11.5 10.7 30 34 A S + 0 0 95 -2,-0.4 2,-0.3 29,-0.0 -4,-0.2 -0.881 38.0 163.4 -95.0 125.4 13.3 -9.6 7.7 31 35 A Q - 0 0 98 -6,-1.8 -2,-0.0 -2,-0.5 0, 0.0 -0.871 41.6 -69.8-133.7 169.3 10.4 -7.5 6.3 32 36 A E - 0 0 168 -2,-0.3 2,-0.2 -8,-0.1 -1,-0.1 -0.140 52.8-120.2 -51.5 148.1 9.6 -4.6 4.1 33 37 A G - 0 0 18 -9,-0.2 2,-0.3 -11,-0.0 -9,-0.3 -0.470 21.7-158.9 -87.4 165.0 10.7 -1.1 5.2 34 38 A K E -G 23 0B 133 -11,-2.2 -11,-2.2 -2,-0.2 2,-0.4 -0.924 19.8-113.1-138.6 161.3 8.7 2.0 5.8 35 39 A A E -G 22 0B 52 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.801 27.6-167.6 -97.1 141.1 9.4 5.7 6.0 36 40 A Y E -G 21 0B 49 -15,-2.0 -15,-2.3 -2,-0.4 2,-0.3 -0.989 10.9-140.5-133.5 136.9 9.1 7.6 9.3 37 41 A Q - 0 0 166 -2,-0.4 2,-0.3 -17,-0.2 12,-0.2 -0.652 26.2-107.0 -97.0 148.6 9.1 11.4 9.7 38 42 A F - 0 0 32 -19,-0.4 10,-0.3 -2,-0.3 3,-0.1 -0.578 31.7-174.2 -68.8 135.3 10.8 13.3 12.5 39 43 A T + 0 0 118 8,-2.2 2,-0.3 -2,-0.3 9,-0.2 0.489 58.6 12.3-112.6 -6.3 8.1 14.5 15.0 40 44 A G E -C 47 0A 27 7,-1.9 7,-2.4 2,-0.0 2,-0.3 -0.896 58.8-132.2-153.8-177.8 10.2 16.6 17.3 41 45 A E E +C 46 0A 143 5,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.993 14.1 175.7-143.6 153.2 13.5 18.3 18.1 42 46 A D - 0 0 61 3,-2.7 3,-0.3 -2,-0.3 5,-0.0 -0.680 58.2 -74.0-135.9-165.0 15.9 18.7 21.0 43 47 A D S S+ 0 0 166 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 0.819 130.3 52.5 -69.0 -30.1 19.3 20.4 21.4 44 48 A F S S- 0 0 23 1,-0.2 2,-0.3 -34,-0.0 -1,-0.2 0.821 119.6 -97.1 -69.6 -36.0 21.0 17.7 19.3 45 49 A G S S+ 0 0 9 -3,-0.3 -3,-2.7 -35,-0.1 -35,-0.2 -0.991 72.5 3.4 152.7-147.4 18.6 17.9 16.3 46 50 A K E -AC 9 41A 50 -37,-2.1 -37,-2.2 -2,-0.3 2,-0.4 -0.382 56.8-153.6 -74.5 155.4 15.5 16.1 15.0 47 51 A V E -AC 8 40A 21 -7,-2.4 -8,-2.2 -39,-0.2 -7,-1.9 -0.993 10.8-175.5-133.5 133.2 13.8 13.3 17.0 48 52 A A E -A 7 0A 0 -41,-2.1 -41,-2.9 -2,-0.4 2,-0.6 -0.991 12.1-157.2-126.4 136.3 11.7 10.4 15.7 49 53 A V E -A 6 0A 70 -2,-0.4 2,-0.5 -12,-0.2 -43,-0.2 -0.955 17.4-167.4-110.5 106.2 10.0 7.8 17.9 50 54 A V E -A 5 0A 2 -45,-3.3 -45,-2.9 -2,-0.6 2,-0.5 -0.853 4.1-169.7-101.6 122.2 9.4 4.7 15.8 51 55 A K E -A 4 0A 136 -2,-0.5 -47,-0.2 -47,-0.2 -2,-0.0 -0.938 3.0-171.2-112.2 127.9 7.1 2.0 17.2 52 56 A L E -A 3 0A 7 -49,-2.3 -49,-2.5 -2,-0.5 2,-1.4 -0.983 27.2-130.4-114.7 135.8 6.8 -1.4 15.5 53 57 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -51,-0.1 -0.152 81.5 67.8 -82.3 45.8 4.1 -3.7 16.7 54 58 A M S S- 0 0 51 -2,-1.4 2,-0.9 -51,-0.1 -51,-0.3 -0.987 89.0 -98.4-156.8 160.4 6.4 -6.7 17.1 55 59 A D + 0 0 92 -2,-0.3 2,-0.3 -53,-0.1 -53,-0.1 -0.708 50.5 173.4 -83.3 103.9 9.4 -7.9 19.2 56 60 A L - 0 0 1 -2,-0.9 28,-0.4 -4,-0.1 3,-0.1 -0.860 31.5-171.0-114.2 148.9 12.5 -7.2 17.2 57 61 A T S S+ 0 0 78 -30,-2.3 24,-2.6 -2,-0.3 2,-0.3 0.537 79.3 22.3-104.1 -18.6 16.3 -7.5 18.1 58 62 A K E -FH 27 80B 69 -31,-1.8 -32,-2.5 22,-0.2 -31,-2.2 -0.974 58.9-179.3-150.2 139.9 17.6 -5.7 14.9 59 63 A V E -FH 25 79B 0 20,-2.1 20,-2.4 -2,-0.3 2,-0.3 -0.925 23.8-126.8-125.4 156.2 16.4 -3.2 12.3 60 64 A G E -FH 24 78B 0 -36,-2.9 -36,-1.3 -2,-0.3 2,-0.3 -0.753 26.4-169.2 -89.8 156.6 18.0 -1.6 9.3 61 65 A I E +FH 23 77B 0 16,-2.4 16,-1.4 -2,-0.3 2,-0.3 -0.992 15.5 175.5-147.1 138.3 18.0 2.1 8.9 62 66 A I E -F 22 0B 7 -40,-1.6 -40,-2.5 -2,-0.3 2,-0.6 -0.972 24.3-142.3-135.5 136.5 18.8 4.5 6.0 63 67 A V E +F 21 0B 0 9,-0.5 9,-2.5 10,-0.3 2,-0.3 -0.927 36.2 177.9 -96.6 121.7 18.4 8.3 6.4 64 68 A R E -FI 20 71B 27 -44,-3.2 -44,-2.0 -2,-0.6 2,-0.5 -0.832 33.0-119.7-130.1 162.3 17.1 9.4 2.9 65 69 A L E >>S-FI 19 70B 27 5,-3.4 4,-2.4 -2,-0.3 5,-1.0 -0.871 73.9 -47.3-102.7 126.2 16.0 12.6 1.3 66 70 A N T 45S- 0 0 72 -48,-2.8 2,-1.4 -2,-0.5 -46,-0.1 -0.137 123.9 -12.9 45.2-137.2 12.4 12.4 0.0 67 71 A E T 45S- 0 0 170 1,-0.1 -1,-0.2 -32,-0.0 -2,-0.0 -0.602 127.6 -53.6 -90.9 73.8 11.7 9.2 -2.0 68 72 A W T 45S+ 0 0 110 -2,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.741 92.9 139.4 63.3 25.6 15.4 8.1 -2.4 69 73 A Q T <5S- 0 0 134 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.888 81.4 -19.7 -61.8 -37.2 16.5 11.4 -3.9 70 74 A A E < -I 65 0B 39 -5,-1.0 -5,-3.4 2,-0.0 2,-0.3 -0.978 61.6-133.2-160.1 167.7 19.6 11.0 -1.7 71 75 A K E -I 64 0B 93 -2,-0.3 2,-0.9 -7,-0.3 -7,-0.2 -0.965 14.9-136.8-124.5 148.1 21.0 9.1 1.3 72 76 A D S S+ 0 0 10 -9,-2.5 -9,-0.5 1,-0.4 22,-0.1 -0.875 102.0 1.8-102.6 97.4 23.0 10.4 4.2 73 77 A V S S- 0 0 30 -2,-0.9 -1,-0.4 -11,-0.1 -10,-0.3 0.732 84.3-140.8 74.9 111.4 25.5 7.6 4.3 74 78 A A + 0 0 63 -3,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.822 69.0 84.5 -76.4 -36.8 24.6 5.2 1.4 75 79 A K S S- 0 0 108 1,-0.1 2,-0.0 -4,-0.1 0, 0.0 -0.331 88.8 -92.8 -71.7 152.4 25.1 1.8 2.9 76 80 A D - 0 0 86 -14,-0.1 2,-0.3 -2,-0.1 -14,-0.1 -0.329 45.2-173.3 -56.3 133.0 22.7 -0.2 5.0 77 81 A R E -H 61 0B 13 -16,-1.4 -16,-2.4 -3,-0.1 2,-0.3 -0.853 7.7-143.4-125.5 166.8 23.2 0.4 8.7 78 82 A F E -H 60 0B 85 -2,-0.3 2,-0.5 -18,-0.3 -18,-0.2 -0.934 7.9-146.8-137.8 154.2 21.6 -1.3 11.6 79 83 A I E -H 59 0B 0 -20,-2.4 -20,-2.1 -2,-0.3 2,-0.4 -0.992 18.0-140.1-122.0 124.0 20.2 -0.7 15.1 80 84 A E E -H 58 0B 132 -2,-0.5 2,-0.5 -22,-0.2 -22,-0.2 -0.704 16.5-154.0 -82.9 133.8 20.4 -3.3 17.9 81 85 A I - 0 0 14 -24,-2.6 2,-0.4 -2,-0.4 5,-0.2 -0.922 11.2-174.6-111.9 126.7 17.3 -3.6 20.1 82 86 A K B > S-D 85 0A 163 3,-1.8 3,-1.6 -2,-0.5 -25,-0.1 -0.990 75.9 -6.3-119.1 134.2 17.4 -4.9 23.7 83 87 A D T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.821 126.3 -62.0 54.0 38.9 14.2 -5.4 25.6 84 88 A G T 3 S+ 0 0 3 -28,-0.4 -80,-2.1 1,-0.2 2,-0.4 0.702 117.2 97.6 62.8 22.7 12.1 -3.8 22.8 85 89 A K E < +bD 4 82A 154 -3,-1.6 -3,-1.8 -82,-0.2 2,-0.3 -0.996 38.8 162.1-140.6 141.7 13.9 -0.5 23.1 86 90 A A E -b 5 0A 14 -82,-2.0 -80,-2.4 -2,-0.4 2,-0.3 -0.972 12.8-168.0-152.2 157.0 16.7 1.4 21.5 87 91 A E E +b 6 0A 87 -2,-0.3 2,-0.3 -82,-0.2 -80,-0.2 -0.949 17.0 173.7-146.6 123.0 17.9 4.9 21.3 88 92 A V E -b 7 0A 0 -82,-2.2 -80,-2.2 -2,-0.3 2,-0.4 -0.852 23.5-142.9-132.1 161.8 20.6 6.2 18.9 89 93 A W E -bE 8 98A 24 9,-2.3 9,-2.6 -2,-0.3 2,-0.4 -0.991 18.0-170.3-129.5 132.4 22.2 9.3 17.7 90 94 A I E -b 9 0A 0 -82,-2.2 -80,-2.4 -2,-0.4 2,-0.4 -0.985 5.0-157.7-131.9 132.1 23.2 9.8 14.1 91 95 A L E > -b 10 0A 43 5,-0.4 3,-2.1 -2,-0.4 -80,-0.2 -0.914 34.7 -92.9-113.6 142.4 25.3 12.6 12.6 92 96 A Q T 3 S+ 0 0 24 -82,-2.5 3,-0.1 -2,-0.4 -19,-0.0 -0.234 108.4 0.7 -48.9 128.1 25.3 13.8 9.0 93 97 A G T 3 S+ 0 0 56 1,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.393 100.6 120.0 74.5 -3.8 28.0 12.1 7.0 94 98 A V < - 0 0 56 -3,-2.1 -3,-0.4 1,-0.2 -1,-0.2 -0.869 49.4-159.9-101.6 119.2 29.2 9.9 9.9 95 99 A E + 0 0 102 -2,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 0.911 65.6 89.2 -64.2 -46.5 28.8 6.1 9.3 96 100 A E - 0 0 124 1,-0.1 2,-0.5 -19,-0.0 -5,-0.4 -0.247 68.4-144.8 -58.8 136.1 28.9 5.1 12.9 97 101 A I - 0 0 20 -19,-0.1 2,-0.4 -7,-0.1 -7,-0.2 -0.905 18.8-143.1-104.6 126.3 25.6 5.0 14.8 98 102 A F B -E 89 0A 46 -9,-2.6 -9,-2.3 -2,-0.5 3,-0.0 -0.739 17.6-161.4-101.0 138.1 25.9 6.0 18.4 99 103 A Y S S+ 0 0 109 -2,-0.4 2,-0.3 -11,-0.2 -1,-0.1 0.217 81.2 43.2-101.7 8.1 24.1 4.5 21.4 100 104 A E S S- 0 0 153 -11,-0.1 -11,-0.1 0, 0.0 -1,-0.0 -0.977 101.3 -86.3-142.4 159.2 24.8 7.5 23.6 101 105 A K 0 0 121 -2,-0.3 -2,-0.1 1,-0.1 -13,-0.0 -0.333 360.0 360.0 -56.8 120.5 24.7 11.3 23.1 102 106 A P 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.357 360.0 360.0 -59.4 360.0 28.1 12.4 21.6