==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-02 1J0K . COMPND 2 MOLECULE: NEOPULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR H.HONDOH,T.KURIKI,Y.MATSUURA . 1176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 810 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 104 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.3 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 7 1 0 1 0 1 0 4 2 2 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 4 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 . 11 4 8 5 8 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 . 5 0 1 2 5 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 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 1 A M 0 0 41 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.5 22.0 11.4 13.1 2 2 A R >> - 0 0 25 1,-0.2 3,-2.0 28,-0.1 4,-1.0 -0.725 360.0-173.8 -93.9 90.5 24.6 11.4 15.8 3 3 A K G >4 S+ 0 0 60 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.896 80.3 60.7 -50.0 -48.0 26.3 8.0 15.5 4 4 A E G 34 S+ 0 0 22 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.694 104.1 50.7 -56.1 -19.4 28.4 8.5 18.6 5 5 A A G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 25,-0.0 2,-0.2 0.737 87.7 94.1 -92.8 -21.5 25.3 8.9 20.8 6 6 A I << + 0 0 4 -3,-1.2 2,-0.3 -4,-1.0 23,-0.2 -0.507 58.3 172.9 -69.1 133.4 23.5 5.7 19.6 7 7 A Y B +A 28 0A 21 21,-2.2 21,-2.1 -2,-0.2 2,-0.3 -0.997 20.2 158.7-151.7 146.0 24.3 2.8 21.9 8 8 A H - 0 0 2 -2,-0.3 19,-0.1 19,-0.2 -2,-0.0 -0.893 8.7-176.3-163.2 130.3 23.4 -0.8 22.7 9 9 A R - 0 0 43 -2,-0.3 2,-2.4 17,-0.2 5,-0.3 -0.989 35.5-121.1-131.5 121.4 25.1 -3.6 24.6 10 10 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 106,-0.1 -0.325 81.5 48.1 -61.8 72.3 23.4 -7.0 24.6 11 11 A A S >> S+ 0 0 17 -2,-2.4 3,-2.2 941,-0.0 4,-1.7 -0.987 87.7 21.3 177.9-175.1 23.1 -7.4 28.4 12 12 A D T 34 S- 0 0 30 -2,-0.3 3,-0.4 1,-0.3 396,-0.1 0.063 127.4 -2.7 32.4-126.8 22.1 -6.0 31.7 13 13 A N T 34 S+ 0 0 9 394,-0.3 -1,-0.3 1,-0.2 397,-0.2 0.665 135.9 53.8 -66.4 -16.9 19.6 -3.1 31.1 14 14 A F T <4 S+ 0 0 12 -3,-2.2 12,-2.1 -5,-0.3 2,-0.4 0.803 118.1 20.3 -89.2 -31.7 19.7 -3.3 27.3 15 15 A A E < S+B 25 0A 4 -4,-1.7 2,-0.3 -3,-0.4 -1,-0.3 -0.979 75.7 140.2-141.6 127.2 18.9 -6.9 26.6 16 16 A Y E -B 24 0A 18 8,-1.9 8,-3.3 -2,-0.4 2,-0.4 -0.923 51.1-107.2-169.2 140.8 17.2 -9.3 29.0 17 17 A A E -B 23 0A 14 -2,-0.3 109,-0.6 6,-0.3 6,-0.3 -0.532 24.5-168.7 -70.0 121.4 14.7 -12.1 29.2 18 18 A Y - 0 0 72 4,-2.3 5,-0.2 -2,-0.4 2,-0.2 0.896 69.5 -26.1 -79.2 -39.8 11.5 -10.7 30.8 19 19 A D S S- 0 0 49 3,-2.2 107,-0.1 -3,-0.1 -1,-0.0 -0.582 95.4 -55.0-146.2-148.8 10.0 -14.1 31.3 20 20 A S S S+ 0 0 32 -2,-0.2 102,-0.1 1,-0.2 3,-0.1 0.225 131.3 9.1 -92.3 16.7 10.2 -17.5 29.7 21 21 A E S S+ 0 0 114 1,-0.3 2,-0.5 100,-0.1 -1,-0.2 0.281 115.2 77.9-169.1 0.3 9.4 -16.5 26.1 22 22 A T + 0 0 3 54,-0.2 -4,-2.3 58,-0.0 -3,-2.2 -0.982 52.9 178.1-126.9 120.8 9.5 -12.8 26.2 23 23 A L E -BC 17 75A 0 52,-2.3 52,-2.4 -2,-0.5 2,-0.4 -0.934 20.0-131.5-125.1 149.3 12.7 -10.7 26.2 24 24 A H E -BC 16 74A 4 -8,-3.3 -8,-1.9 -2,-0.3 2,-0.4 -0.819 13.7-167.1-104.7 137.9 13.3 -7.0 26.2 25 25 A L E -BC 15 73A 0 48,-2.0 48,-1.3 -2,-0.4 2,-0.4 -0.931 8.1-170.0-118.5 142.6 15.6 -5.0 24.0 26 26 A R E - C 0 72A 5 -12,-2.1 2,-0.3 -2,-0.4 46,-0.2 -0.989 3.7-166.3-135.9 142.1 16.5 -1.4 24.7 27 27 A L E - C 0 71A 0 44,-2.1 44,-2.7 -2,-0.4 2,-0.4 -0.958 8.6-147.1-129.3 148.3 18.3 1.3 22.6 28 28 A R E +AC 7 70A 10 -21,-2.1 -21,-2.2 -2,-0.3 2,-0.3 -0.932 22.0 165.0-117.1 138.3 19.8 4.7 23.5 29 29 A T E - C 0 69A 0 40,-2.6 40,-3.3 -2,-0.4 2,-0.2 -0.955 46.5 -79.3-146.8 163.0 20.0 7.8 21.3 30 30 A K E >> - C 0 68A 53 -2,-0.3 3,-2.1 -28,-0.3 4,-0.5 -0.475 67.1 -92.8 -64.2 127.5 20.7 11.5 21.4 31 31 A K T 34 S- 0 0 53 36,-2.9 -1,-0.1 1,-0.3 37,-0.1 -0.161 104.5 -4.0 -48.1 125.0 17.4 13.2 22.6 32 32 A D T 34 S+ 0 0 125 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.247 103.4 109.6 73.8 -6.6 15.3 14.3 19.6 33 33 A D T <4 + 0 0 31 -3,-2.1 2,-0.5 1,-0.1 -2,-0.1 0.825 68.0 57.3 -66.1 -36.9 17.9 13.2 17.1 34 34 A I < - 0 0 6 -4,-0.5 56,-0.2 1,-0.2 -2,-0.2 -0.866 60.8-159.6-106.3 128.3 16.1 10.1 15.7 35 35 A D S S- 0 0 99 54,-1.4 2,-0.3 -2,-0.5 55,-0.2 0.995 75.7 -11.4 -63.8 -63.6 12.6 10.2 14.1 36 36 A R E -E 89 0B 125 53,-1.7 53,-2.6 24,-0.0 2,-0.4 -0.934 58.0-150.9-137.6 161.6 11.8 6.5 14.5 37 37 A V E -E 88 0B 2 22,-0.5 22,-3.4 -2,-0.3 2,-0.4 -0.992 8.4-168.8-135.5 141.4 13.5 3.3 15.4 38 38 A E E -EF 87 58B 32 49,-2.2 49,-2.9 -2,-0.4 2,-0.6 -0.997 21.3-128.7-133.4 133.1 12.7 -0.3 14.3 39 39 A L E -EF 86 57B 0 18,-3.8 18,-2.9 -2,-0.4 2,-0.7 -0.703 16.3-154.4 -85.0 117.8 14.0 -3.5 15.7 40 40 A L E +EF 85 56B 0 45,-2.2 45,-2.2 -2,-0.6 2,-0.3 -0.815 33.4 157.9 -90.0 115.0 15.4 -5.8 13.0 41 41 A H E +EF 84 55B 10 14,-2.6 14,-3.5 -2,-0.7 2,-0.3 -0.963 13.6 140.2-143.9 159.9 15.2 -9.4 14.4 42 42 A G E -E 83 0B 5 41,-1.3 41,-2.8 -2,-0.3 12,-0.2 -0.953 54.0 -67.3 178.5 165.1 15.0 -13.1 13.5 43 43 A D > - 0 0 3 10,-0.4 3,-2.7 -2,-0.3 39,-0.2 -0.565 44.4-125.8 -73.3 123.8 16.2 -16.6 14.4 44 44 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 67,-0.1 0.572 106.5 35.9 -43.0 -15.8 19.9 -17.1 13.9 45 45 A Y T 3 S+ 0 0 63 834,-0.1 2,-1.6 36,-0.1 835,-0.1 0.347 79.3 113.4-127.2 9.7 19.3 -20.1 11.8 46 46 A D < + 0 0 30 -3,-2.7 7,-2.1 7,-0.2 2,-0.4 -0.591 41.2 155.4 -85.5 82.2 16.2 -19.4 9.8 47 47 A W E +J 52 0C 83 -2,-1.6 2,-0.3 5,-0.2 5,-0.2 -0.893 12.1 167.4-112.9 140.9 17.5 -19.2 6.3 48 48 A Q E > +J 51 0C 94 3,-2.2 3,-3.9 -2,-0.4 -2,-0.0 -0.975 68.9 7.3-146.0 153.1 15.6 -19.8 3.1 49 49 A N T 3 S- 0 0 172 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.823 131.8 -64.6 40.0 33.4 16.4 -19.2 -0.6 50 50 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 59,-0.0 -1,-0.3 0.753 115.1 112.9 64.9 27.4 19.7 -18.2 0.9 51 51 A A E < S-J 48 0C 41 -3,-3.9 -3,-2.2 58,-0.0 2,-0.9 -0.997 72.3-115.9-134.5 134.6 18.3 -15.3 2.8 52 52 A W E -J 47 0C 5 56,-0.7 2,-0.6 -2,-0.4 -5,-0.2 -0.544 29.1-133.6 -70.5 102.9 17.9 -14.8 6.5 53 53 A Q + 0 0 72 -7,-2.1 -10,-0.4 -2,-0.9 2,-0.3 -0.410 43.9 159.5 -59.2 105.6 14.2 -14.6 7.3 54 54 A F - 0 0 62 -2,-0.6 -12,-0.3 -12,-0.2 2,-0.2 -0.959 27.5-142.3-132.2 152.4 14.1 -11.6 9.6 55 55 A Q E -F 41 0B 131 -14,-3.5 -14,-2.6 -2,-0.3 2,-0.6 -0.695 10.8-129.4-112.5 163.9 11.3 -9.2 10.7 56 56 A M E -F 40 0B 70 -2,-0.2 -16,-0.2 -16,-0.2 -14,-0.0 -0.904 23.9-178.3-116.6 105.0 11.0 -5.5 11.4 57 57 A M E -F 39 0B 51 -18,-2.9 -18,-3.8 -2,-0.6 -2,-0.0 -0.907 26.5-126.0-105.9 121.1 9.3 -4.6 14.6 58 58 A P E -F 38 0B 90 0, 0.0 2,-0.3 0, 0.0 -20,-0.3 -0.291 25.9-128.9 -62.4 141.5 8.9 -0.8 15.3 59 59 A M - 0 0 16 -22,-3.4 -22,-0.5 14,-0.1 2,-0.4 -0.695 8.9-133.9-101.5 150.6 10.3 0.5 18.6 60 60 A R E -D 72 0A 120 12,-2.8 12,-4.0 -2,-0.3 2,-0.9 -0.838 13.9-130.8-104.4 129.0 8.6 2.6 21.3 61 61 A K E -D 71 0A 88 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.652 24.8-178.7 -77.4 104.3 10.3 5.6 23.0 62 62 A T E - 0 0 17 8,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.385 56.4 -53.9 -88.8 6.1 9.8 4.9 26.7 63 63 A G E -D 70 0A 17 7,-0.9 7,-2.8 446,-0.1 2,-0.3 -0.877 46.4-127.2 148.6 178.4 11.4 8.1 27.9 64 64 A S E -D 69 0A 31 -2,-0.3 338,-0.3 5,-0.2 5,-0.2 -0.957 10.2-158.0-153.9 165.4 14.4 10.4 27.8 65 65 A D - 0 0 5 3,-2.0 334,-0.1 -2,-0.3 335,-0.1 -0.300 57.5 -51.3-124.1-147.6 16.8 12.1 30.2 66 66 A E S S+ 0 0 86 1,-0.1 334,-0.0 -2,-0.1 333,-0.0 0.908 133.6 4.9 -59.4 -46.4 19.2 15.1 30.0 67 67 A L S S+ 0 0 35 332,-0.1 -36,-2.9 525,-0.1 2,-0.3 0.609 117.6 67.7-118.1 -17.0 20.9 13.9 26.8 68 68 A F E -C 30 0A 17 -38,-0.3 -3,-2.0 -37,-0.1 2,-0.4 -0.735 52.1-148.3-121.1 164.8 19.2 10.8 25.6 69 69 A D E -CD 29 64A 1 -40,-3.3 -40,-2.6 -2,-0.3 2,-0.5 -0.885 24.6-150.1-112.3 142.5 16.1 9.2 24.1 70 70 A Y E -CD 28 63A 15 -7,-2.8 -8,-1.3 -2,-0.4 -7,-0.9 -0.984 7.8-161.5-123.4 127.4 15.4 5.6 25.1 71 71 A W E -CD 27 61A 14 -44,-2.7 -44,-2.1 -2,-0.5 2,-0.3 -0.845 5.0-159.4-109.7 145.0 13.6 3.2 22.9 72 72 A F E +CD 26 60A 12 -12,-4.0 -12,-2.8 -2,-0.4 2,-0.3 -0.850 11.1 176.8-122.6 157.2 11.9 -0.1 23.9 73 73 A A E -C 25 0A 4 -48,-1.3 -48,-2.0 -2,-0.3 2,-0.5 -0.965 16.0-151.5-157.7 140.3 10.8 -3.3 22.1 74 74 A E E +C 24 0A 107 -2,-0.3 2,-0.4 -50,-0.2 -50,-0.2 -0.973 23.8 177.4-119.5 123.0 9.3 -6.5 23.4 75 75 A V E -C 23 0A 3 -52,-2.4 -52,-2.3 -2,-0.5 -54,-0.0 -0.989 24.9-160.6-137.3 138.0 10.1 -9.7 21.4 76 76 A K - 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