==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-05 1X0C . COMPND 2 MOLECULE: ISOPULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR M.MIZUNO,T.TONOZUKA,A.YAMAMURA,Y.MIYASAKA,H.AKEBOSHI,S.KAMIT . 1098 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 750 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 338 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 131 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 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 RESIDUES PER ALPHA HELIX . 8 11 15 8 2 4 0 5 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 5 4 8 1 3 0 0 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 . 4 0 2 2 0 2 1 1 0 0 0 0 0 0 0 0 0 2 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 16 A R 0 0 272 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.2 41.2 -16.5 28.3 2 17 A E - 0 0 181 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.327 360.0 -93.9 -64.2 148.6 39.0 -15.2 25.5 3 18 A F + 0 0 210 1,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.337 49.0 178.5 -65.0 142.8 37.1 -12.1 26.4 4 19 A M - 0 0 151 -3,-0.1 -1,-0.0 -2,-0.0 2,-0.0 -0.994 33.9 -94.6-146.1 149.8 33.6 -12.5 27.7 5 20 A A - 0 0 38 -2,-0.3 2,-0.5 50,-0.1 12,-0.1 -0.312 31.8-155.2 -63.1 143.7 30.8 -10.2 29.0 6 21 A V - 0 0 66 48,-0.1 50,-2.2 10,-0.1 2,-0.2 -0.979 13.1-162.4-124.6 115.8 30.7 -9.5 32.7 7 22 A T - 0 0 63 -2,-0.5 2,-0.3 48,-0.2 50,-0.1 -0.654 15.1-119.4-101.5 156.9 27.3 -8.5 34.1 8 23 A A + 0 0 2 48,-0.4 7,-2.3 -2,-0.2 2,-0.0 -0.693 30.7 165.5 -94.3 143.3 26.3 -6.9 37.3 9 24 A N B +A 14 0A 138 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.509 36.8 111.9-154.2 75.3 24.0 -8.5 39.9 10 25 A N S S- 0 0 58 3,-2.4 -2,-0.0 -2,-0.0 0, 0.0 -0.758 81.0 -84.4-136.8-177.2 24.3 -6.6 43.1 11 26 A S S S+ 0 0 92 -2,-0.2 158,-0.1 1,-0.2 3,-0.1 0.667 125.5 39.2 -68.0 -16.9 22.2 -4.3 45.3 12 27 A Q S S+ 0 0 70 1,-0.3 78,-1.8 77,-0.1 79,-0.7 0.716 122.6 20.7-104.8 -25.3 23.1 -1.2 43.3 13 28 A L E - B 0 89A 0 76,-0.2 -3,-2.4 77,-0.1 2,-0.4 -0.994 49.3-172.6-152.1 140.2 23.1 -2.4 39.8 14 29 A L E +AB 9 88A 30 74,-2.6 74,-2.2 -2,-0.3 2,-0.3 -0.986 16.4 163.1-133.6 121.8 21.7 -5.2 37.6 15 30 A T - 0 0 3 -7,-2.3 2,-0.3 -2,-0.4 42,-0.1 -0.876 15.4-158.6-129.8 164.5 22.7 -5.7 33.9 16 31 A W - 0 0 16 70,-0.4 42,-2.5 -2,-0.3 2,-0.3 -0.921 7.4-158.0-143.7 170.1 22.3 -8.8 31.7 17 32 A W - 0 0 84 -2,-0.3 2,-0.4 40,-0.2 -10,-0.0 -0.862 12.7-139.2-140.2 170.9 23.5 -10.5 28.6 18 33 A H > - 0 0 9 -2,-0.3 3,-1.0 16,-0.1 16,-0.1 -0.981 3.9-157.6-137.0 121.0 22.4 -13.1 26.0 19 34 A N T 3 S+ 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 14,-0.0 0.612 93.9 59.0 -75.5 -9.7 24.8 -15.7 24.7 20 35 A T T 3 S+ 0 0 58 12,-0.1 14,-2.0 2,-0.1 -1,-0.3 -0.065 73.6 147.5-106.8 31.7 22.7 -16.1 21.6 21 36 A G E < -c 34 0A 26 -3,-1.0 2,-0.4 12,-0.2 14,-0.2 -0.422 32.2-156.6 -65.2 141.9 23.1 -12.5 20.5 22 37 A E E -c 35 0A 44 12,-2.7 14,-2.4 2,-0.1 2,-0.8 -0.982 14.5-141.9-130.4 124.1 23.1 -12.2 16.7 23 38 A I E +c 36 0A 112 -2,-0.4 2,-0.3 12,-0.2 14,-0.1 -0.739 47.6 141.2 -81.4 114.0 24.6 -9.4 14.7 24 39 A N + 0 0 17 -2,-0.8 -2,-0.1 12,-0.6 5,-0.1 -0.898 27.3 171.4-160.9 124.7 22.1 -9.0 11.8 25 40 A T S S+ 0 0 100 -2,-0.3 42,-0.1 3,-0.1 -1,-0.1 0.172 80.3 33.5-122.2 17.6 20.7 -5.9 10.1 26 41 A Q S S+ 0 0 153 1,-0.2 43,-0.2 40,-0.1 -2,-0.0 0.556 107.8 41.9-144.8 -19.8 18.7 -7.4 7.1 27 42 A T S S- 0 0 67 41,-0.1 -1,-0.2 1,-0.1 41,-0.2 -0.809 88.1 -80.5-130.4 169.9 17.1 -10.7 7.9 28 43 A P - 0 0 65 0, 0.0 2,-0.1 0, 0.0 39,-0.1 -0.399 48.5-123.3 -67.0 148.7 15.2 -12.4 10.7 29 44 A V - 0 0 12 37,-0.2 6,-0.1 1,-0.2 -5,-0.0 -0.461 40.1 -79.3 -86.2 166.7 17.4 -13.7 13.5 30 45 A A > - 0 0 48 -2,-0.1 3,-2.1 1,-0.1 -1,-0.2 -0.293 45.7-107.2 -63.3 152.2 17.2 -17.4 14.5 31 46 A D T 3 S+ 0 0 76 1,-0.3 204,-0.1 -3,-0.1 -1,-0.1 0.882 120.9 38.6 -46.5 -49.2 14.3 -18.4 16.8 32 47 A G T 3 S+ 0 0 30 156,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.361 104.6 91.4 -87.4 5.7 16.6 -18.8 19.8 33 48 A N < - 0 0 45 -3,-2.1 2,-0.5 -14,-0.0 -12,-0.2 -0.606 65.2-140.8-100.0 161.9 18.7 -15.8 18.9 34 49 A V E -c 21 0A 0 -14,-2.0 -12,-2.7 -2,-0.2 2,-0.1 -0.979 24.4-118.8-124.4 119.6 18.4 -12.1 20.0 35 50 A R E -c 22 0A 4 -2,-0.5 26,-1.4 -14,-0.2 2,-0.3 -0.378 37.9-165.2 -59.7 126.7 19.2 -9.4 17.5 36 51 A Q E -cD 23 60A 33 -14,-2.4 -12,-0.6 24,-0.2 24,-0.2 -0.890 24.0-106.1-118.1 146.1 22.1 -7.4 18.9 37 52 A S - 0 0 10 22,-2.4 22,-0.2 -2,-0.3 24,-0.1 -0.491 23.5-169.5 -69.5 134.2 23.4 -3.9 18.0 38 53 A G S S+ 0 0 54 -2,-0.2 -1,-0.2 1,-0.1 62,-0.1 0.495 84.3 51.5-100.0 -5.5 26.7 -4.2 16.1 39 54 A L S S+ 0 0 53 1,-0.2 2,-0.5 60,-0.1 61,-0.4 0.801 104.0 53.0 -99.2 -36.4 27.3 -0.4 16.4 40 55 A Y - 0 0 9 59,-0.1 2,-0.4 19,-0.1 59,-0.2 -0.901 53.1-172.9-115.5 132.9 26.8 0.3 20.1 41 56 A S E -I 98 0B 44 57,-2.9 57,-3.0 -2,-0.5 2,-0.4 -0.946 13.1-166.2-114.8 134.5 28.5 -1.2 23.1 42 57 A V E +IJ 97 57B 3 15,-0.5 15,-2.5 -2,-0.4 2,-0.3 -0.986 11.6 173.3-129.9 133.1 27.2 -0.2 26.6 43 58 A K E -IJ 96 56B 57 53,-2.2 53,-3.3 -2,-0.4 2,-0.4 -0.950 15.4-150.7-130.4 151.5 28.7 -0.8 30.0 44 59 A V E -IJ 95 55B 0 11,-2.7 11,-2.7 -2,-0.3 2,-0.4 -0.979 9.5-173.3-130.8 139.5 27.5 0.6 33.3 45 60 A Q E -I 94 0B 6 49,-2.4 49,-3.5 -2,-0.4 2,-0.2 -0.996 25.1-126.1-132.8 131.1 29.4 1.5 36.5 46 61 A T E -I 93 0B 25 -2,-0.4 47,-0.3 47,-0.2 46,-0.1 -0.533 54.0 -75.7 -72.3 137.3 27.9 2.5 39.9 47 62 A T S S+ 0 0 30 45,-2.0 2,-0.1 -2,-0.2 -1,-0.1 -0.288 101.7 73.9 -71.8 162.5 29.4 5.8 41.1 48 63 A P S S- 0 0 113 0, 0.0 -2,-0.1 0, 0.0 46,-0.1 0.469 87.2-126.6 -68.4 145.2 31.8 7.1 42.3 49 64 A A + 0 0 61 -2,-0.1 2,-0.3 2,-0.1 -2,-0.1 -0.354 46.1 149.2 -63.1 139.8 33.4 6.7 38.9 50 65 A S - 0 0 67 2,-0.1 -1,-0.0 3,-0.1 0, 0.0 -0.954 65.7 -83.4-160.7 175.3 36.8 5.0 39.1 51 66 A S S S+ 0 0 133 -2,-0.3 3,-0.1 3,-0.0 -2,-0.1 0.446 91.6 121.5 -67.8 3.1 39.3 2.7 37.2 52 67 A S S S- 0 0 76 1,-0.1 -2,-0.1 -7,-0.0 2,-0.1 0.038 75.1 -70.2 -59.0 174.8 37.0 -0.0 38.6 53 68 A L - 0 0 94 1,-0.0 2,-0.4 -8,-0.0 -1,-0.1 -0.350 39.2-144.7 -73.0 148.6 35.2 -2.5 36.4 54 69 A Y - 0 0 24 -3,-0.1 2,-0.5 -9,-0.1 -9,-0.2 -0.890 18.9-129.2-109.7 144.0 32.3 -1.6 34.1 55 70 A Y E -J 44 0B 69 -11,-2.7 -11,-2.7 -2,-0.4 -48,-0.2 -0.835 18.8-117.6-103.0 131.9 29.5 -4.1 33.6 56 71 A D E -J 43 0B 20 -50,-2.2 2,-0.4 -2,-0.5 -48,-0.4 -0.336 24.9-165.2 -64.0 139.2 28.3 -5.1 30.2 57 72 A S E -J 42 0B 1 -15,-2.5 -15,-0.5 -42,-0.1 -40,-0.2 -0.989 27.0-114.6-129.7 119.0 24.6 -4.3 29.4 58 73 A F - 0 0 1 -42,-2.5 2,-0.7 -2,-0.4 28,-0.5 -0.270 22.9-148.8 -57.8 131.2 23.1 -6.1 26.4 59 74 A V - 0 0 5 -22,-0.2 -22,-2.4 -19,-0.2 26,-0.2 -0.899 13.1-156.8-107.1 108.8 22.1 -3.7 23.6 60 75 A Y E -DE 36 84A 2 24,-2.5 24,-1.8 -2,-0.7 2,-0.4 -0.365 4.1-148.9 -77.6 161.0 19.1 -5.0 21.6 61 76 A L E - E 0 83A 9 -26,-1.4 2,-0.4 22,-0.2 22,-0.2 -0.994 11.3-171.5-138.3 130.7 18.3 -3.9 18.1 62 77 A A E - E 0 82A 5 20,-2.4 20,-2.6 -2,-0.4 269,-0.1 -0.951 10.8-170.6-117.4 139.6 15.1 -3.5 16.2 63 78 A I > - 0 0 7 -2,-0.4 3,-2.2 18,-0.2 18,-0.1 -0.941 34.7 -89.1-129.0 152.5 14.9 -2.9 12.4 64 79 A P G > S+ 0 0 21 0, 0.0 3,-0.7 0, 0.0 8,-0.1 -0.355 115.2 13.3 -61.4 134.9 12.1 -1.9 10.1 65 80 A G G > S- 0 0 1 1,-0.2 3,-2.4 6,-0.2 6,-0.1 0.364 107.1-108.3 82.1 -7.9 10.3 -5.0 8.7 66 81 A N G < S- 0 0 8 -3,-2.2 -1,-0.2 1,-0.3 -37,-0.2 0.782 79.5 -49.0 55.2 28.9 12.1 -7.1 11.4 67 82 A G G < S+ 0 0 10 -3,-0.7 2,-1.0 1,-0.2 -1,-0.3 0.412 114.1 118.5 92.8 -3.5 14.2 -8.7 8.6 68 83 A M X - 0 0 43 -3,-2.4 3,-2.4 -41,-0.2 4,-0.4 -0.807 46.3-167.6-100.1 94.7 11.3 -9.4 6.4 69 84 A S G > S+ 0 0 99 -2,-1.0 3,-1.3 1,-0.3 4,-0.3 0.787 83.2 61.3 -52.2 -34.9 12.0 -7.3 3.2 70 85 A D G 3 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.527 99.8 58.1 -73.3 -2.6 8.5 -7.8 1.8 71 86 A Q G X S+ 0 0 15 -3,-2.4 3,-2.0 1,-0.1 -1,-0.2 0.518 77.9 89.8-100.9 -9.2 7.1 -6.1 4.9 72 87 A L G X S+ 0 0 76 -3,-1.3 3,-2.1 -4,-0.4 5,-0.3 0.799 74.5 69.6 -58.6 -28.6 9.0 -2.8 4.4 73 88 A Q G 3 S+ 0 0 141 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.707 93.2 59.3 -62.1 -19.7 6.2 -1.5 2.3 74 89 A Y G < S+ 0 0 42 -3,-2.0 261,-1.9 261,-0.0 -1,-0.3 0.369 99.6 68.5 -91.4 2.9 4.2 -1.3 5.5 75 90 A T B < S-M 334 0C 15 -3,-2.1 259,-0.2 259,-0.2 258,-0.1 -0.499 102.7 -95.9-107.8-177.5 6.7 1.1 7.2 76 91 A Q - 0 0 71 257,-0.6 -3,-0.1 -2,-0.2 258,-0.1 0.615 56.1-114.5 -77.4 -11.7 7.5 4.7 6.3 77 92 A G + 0 0 62 1,-0.3 2,-0.2 -5,-0.3 -4,-0.1 0.602 69.5 136.2 89.9 11.4 10.4 3.6 4.1 78 93 A Y - 0 0 50 255,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.552 56.5-133.9 -87.7 158.8 13.1 5.2 6.2 79 94 A N + 0 0 97 -2,-0.2 -1,-0.1 -16,-0.0 2,-0.1 0.240 58.0 134.5 -97.0 14.2 16.4 3.3 6.9 80 95 A Q - 0 0 20 80,-0.1 2,-0.3 -17,-0.1 80,-0.2 -0.348 35.7-164.6 -65.8 141.6 16.4 4.1 10.6 81 96 A T E - f 0 160A 22 78,-2.4 80,-2.3 -18,-0.1 2,-0.4 -0.827 9.0-141.4-120.0 162.2 17.2 1.4 13.1 82 97 A Q E -Ef 62 161A 3 -20,-2.6 -20,-2.4 -2,-0.3 2,-0.3 -0.931 17.1-179.3-135.8 113.5 16.6 1.5 16.9 83 98 A A E +Ef 61 162A 1 78,-2.7 80,-2.1 -2,-0.4 2,-0.3 -0.704 9.2 172.2-104.0 156.7 18.9 0.0 19.5 84 99 A W E -Ef 60 163A 0 -24,-1.8 -24,-2.5 -2,-0.3 2,-0.3 -0.990 17.3-159.0-161.1 158.2 18.3 0.1 23.3 85 100 A T E - f 0 164A 0 78,-2.0 80,-2.9 -2,-0.3 2,-0.3 -0.992 8.1-159.2-142.6 146.3 19.6 -1.3 26.6 86 101 A S E + f 0 165A 2 -28,-0.5 -70,-0.4 -2,-0.3 2,-0.3 -0.947 14.4 164.9-127.1 147.2 17.9 -1.7 30.0 87 102 A F E - f 0 166A 0 78,-1.9 80,-2.5 -2,-0.3 2,-0.4 -0.980 29.2-126.2-154.7 156.3 19.4 -2.0 33.4 88 103 A L E +Bf 14 167A 6 -74,-2.2 -74,-2.6 -2,-0.3 2,-0.3 -0.864 33.3 169.4-106.7 144.8 18.1 -1.8 37.0 89 104 A Y E -B 13 0A 0 78,-2.2 80,-0.5 -2,-0.4 -76,-0.2 -0.974 33.6-173.6-150.4 162.1 19.8 0.5 39.5 90 105 A S S S+ 0 0 50 -78,-1.8 2,-0.3 -2,-0.3 -77,-0.1 0.139 79.7 48.2-139.2 12.2 19.3 2.0 43.0 91 106 A H S S- 0 0 61 -79,-0.7 -1,-0.2 42,-0.1 42,-0.1 -0.986 99.7 -77.2-153.2 151.2 22.3 4.4 43.0 92 107 A D - 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