==== 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 05-SEP-07 2Z8G . COMPND 2 MOLECULE: ISOPULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR M.MIZUNO,A.KOIDE,A.YAMAMURA,H.AKEBOSHI,H.YOSHIDA,S.KAMITORI, . 1098 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 745 67.9 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 . 122 11.1 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 . 8 0.7 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 . 130 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 1.9 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+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 10 17 7 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 . 10 6 4 8 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 2 0 2 0 2 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 0 258 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 170.7 27.5 41.2 -16.7 2 17 A E - 0 0 177 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.360 360.0 -92.7 -64.7 144.8 24.8 38.9 -15.3 3 18 A F - 0 0 215 -2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.280 48.6-176.9 -59.7 140.2 25.8 37.0 -12.2 4 19 A M - 0 0 129 -3,-0.1 2,-0.1 0, 0.0 -1,-0.0 -0.975 32.0 -99.1-137.6 150.7 27.2 33.6 -12.8 5 20 A A - 0 0 38 -2,-0.3 2,-0.5 50,-0.1 12,-0.1 -0.434 32.0-152.0 -69.7 143.3 28.4 30.9 -10.4 6 21 A V - 0 0 65 48,-0.1 50,-2.4 -2,-0.1 2,-0.3 -0.978 14.0-165.0-120.7 118.5 32.1 30.8 -9.8 7 22 A T - 0 0 63 -2,-0.5 2,-0.3 48,-0.2 50,-0.1 -0.691 15.0-123.5-105.0 157.3 33.6 27.4 -8.9 8 23 A A + 0 0 1 48,-0.4 7,-2.4 -2,-0.3 2,-0.0 -0.736 27.7 167.9 -98.9 144.1 36.9 26.4 -7.4 9 24 A N B +A 14 0A 138 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.496 36.7 112.0-153.4 74.2 39.3 23.9 -9.0 10 25 A N S S- 0 0 61 3,-2.6 3,-0.0 -2,-0.0 -2,-0.0 -0.731 81.2 -82.7-135.0-175.7 42.7 24.0 -7.3 11 26 A S S S+ 0 0 93 -2,-0.2 158,-0.1 1,-0.2 3,-0.1 0.601 125.8 39.1 -69.6 -11.3 44.9 21.9 -5.0 12 27 A Q S S+ 0 0 77 1,-0.3 78,-1.7 77,-0.1 79,-0.6 0.676 122.4 20.1-110.6 -23.9 43.0 22.9 -1.9 13 28 A L E - B 0 89A 0 76,-0.2 -3,-2.6 77,-0.1 2,-0.4 -0.997 49.6-172.7-152.6 142.6 39.4 23.0 -3.0 14 29 A L E +AB 9 88A 30 74,-2.4 74,-2.2 -2,-0.3 2,-0.3 -0.971 16.3 162.1-137.7 119.7 37.1 21.7 -5.7 15 30 A T - 0 0 3 -7,-2.4 2,-0.3 -2,-0.4 42,-0.1 -0.854 15.5-160.1-128.4 165.7 33.5 22.7 -6.1 16 31 A W - 0 0 16 70,-0.3 42,-2.4 -2,-0.3 2,-0.3 -0.924 7.7-158.1-145.4 171.0 31.1 22.4 -9.1 17 32 A W - 0 0 86 -2,-0.3 2,-0.4 40,-0.2 3,-0.0 -0.867 13.4-137.1-142.3 171.9 28.0 23.7 -10.8 18 33 A H > - 0 0 9 -2,-0.3 3,-1.1 1,-0.1 16,-0.1 -0.980 3.5-157.3-137.5 120.8 25.3 22.6 -13.3 19 34 A N T 3 S+ 0 0 165 -2,-0.4 -1,-0.1 1,-0.3 14,-0.0 0.628 94.9 57.9 -73.8 -11.5 24.1 25.0 -15.9 20 35 A T T 3 S+ 0 0 58 12,-0.1 14,-1.9 2,-0.1 -1,-0.3 -0.051 74.5 148.0-107.0 31.3 20.9 23.0 -16.2 21 36 A G E < -c 34 0A 26 -3,-1.1 2,-0.4 12,-0.2 14,-0.2 -0.399 32.0-155.7 -64.5 142.5 19.9 23.3 -12.6 22 37 A E E -c 35 0A 43 12,-2.9 14,-2.7 2,-0.1 2,-0.8 -0.979 14.5-145.0-129.8 124.2 16.1 23.3 -12.1 23 38 A I E +c 36 0A 107 -2,-0.4 2,-0.3 12,-0.2 14,-0.1 -0.770 48.0 138.7 -84.5 111.5 14.2 24.8 -9.2 24 39 A N + 0 0 17 -2,-0.8 -2,-0.1 12,-0.5 5,-0.1 -0.914 28.3 172.2-159.3 125.7 11.3 22.3 -8.9 25 40 A T S S+ 0 0 97 -2,-0.3 42,-0.1 3,-0.1 -1,-0.0 0.157 79.9 37.2-122.9 19.2 9.6 20.8 -5.9 26 41 A Q S S+ 0 0 153 1,-0.2 43,-0.3 40,-0.1 41,-0.0 0.588 106.7 38.7-142.1 -20.4 6.6 19.0 -7.4 27 42 A T S S- 0 0 69 41,-0.1 -1,-0.2 1,-0.0 41,-0.2 -0.806 88.4 -79.6-131.0 171.0 7.3 17.3 -10.8 28 43 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 39,-0.1 -0.431 48.6-124.4 -68.3 147.4 10.1 15.4 -12.5 29 44 A V - 0 0 11 37,-0.2 6,-0.1 1,-0.2 -5,-0.0 -0.466 40.8 -77.8 -85.2 165.9 12.9 17.7 -13.8 30 45 A A > - 0 0 49 -2,-0.1 3,-2.1 1,-0.1 -1,-0.2 -0.241 45.7-106.8 -60.8 152.9 13.9 17.5 -17.5 31 46 A D T 3 S+ 0 0 75 1,-0.3 204,-0.1 -3,-0.1 -1,-0.1 0.873 121.4 38.1 -47.4 -46.2 16.1 14.6 -18.5 32 47 A G T 3 S+ 0 0 30 156,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.294 103.8 90.7 -92.7 9.6 19.1 16.8 -18.9 33 48 A N < - 0 0 45 -3,-2.1 2,-0.5 -14,-0.0 -12,-0.2 -0.643 65.6-139.4-102.6 162.5 18.3 19.0 -15.9 34 49 A V E -c 21 0A 0 -14,-1.9 -12,-2.9 -2,-0.2 2,-0.1 -0.982 24.0-118.8-124.4 119.9 19.4 18.6 -12.2 35 50 A R E -c 22 0A 3 -2,-0.5 26,-1.4 -14,-0.2 2,-0.3 -0.374 38.7-165.1 -59.3 126.6 16.9 19.3 -9.4 36 51 A Q E -cD 23 60A 34 -14,-2.7 -12,-0.5 24,-0.2 24,-0.2 -0.886 24.2-103.9-119.5 146.5 18.4 22.2 -7.4 37 52 A S - 0 0 10 22,-2.5 22,-0.2 -2,-0.3 24,-0.1 -0.469 23.7-169.8 -67.8 133.7 17.6 23.5 -3.9 38 53 A G S S+ 0 0 58 -2,-0.2 62,-0.2 1,-0.1 -1,-0.2 0.395 84.8 50.3-101.8 0.7 15.7 26.8 -4.1 39 54 A L S S+ 0 0 50 1,-0.2 61,-0.5 60,-0.1 2,-0.4 0.802 104.0 52.3-104.5 -40.9 16.1 27.3 -0.4 40 55 A Y - 0 0 9 59,-0.1 2,-0.4 19,-0.1 59,-0.2 -0.874 52.8-172.2-111.9 134.5 19.8 26.9 0.3 41 56 A S E -I 98 0B 44 57,-2.6 57,-2.9 -2,-0.4 2,-0.4 -0.967 13.0-166.5-116.8 131.7 22.8 28.5 -1.3 42 57 A V E +IJ 97 57B 2 15,-0.6 15,-2.7 -2,-0.4 2,-0.3 -0.979 11.1 173.6-127.4 132.5 26.3 27.2 -0.4 43 58 A K E -IJ 96 56B 53 53,-2.3 53,-3.0 -2,-0.4 2,-0.4 -0.935 14.8-151.4-129.6 153.6 29.7 28.7 -1.1 44 59 A V E -IJ 95 55B 0 11,-2.6 11,-3.0 -2,-0.3 2,-0.4 -0.983 10.3-175.4-133.2 141.3 33.1 27.6 0.2 45 60 A Q E -I 94 0B 4 49,-2.1 49,-3.5 -2,-0.4 2,-0.1 -0.989 27.8-124.5-137.9 125.7 36.4 29.3 0.9 46 61 A T E -I 93 0B 24 -2,-0.4 47,-0.3 47,-0.3 46,-0.1 -0.455 58.2 -70.1 -64.9 136.3 39.7 27.8 1.9 47 62 A T S S+ 0 0 28 45,-2.0 2,-0.1 -2,-0.1 -1,-0.1 -0.226 101.5 71.6 -67.4 162.5 40.8 29.3 5.2 48 63 A P S S- 0 0 105 0, 0.0 2,-0.2 0, 0.0 46,-0.1 0.497 84.3-123.4 -74.0 150.4 41.8 31.7 6.5 49 64 A A + 0 0 60 -2,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.429 51.7 145.6 -62.7 125.8 38.5 33.5 6.2 50 65 A S - 0 0 67 -2,-0.2 -1,-0.0 2,-0.1 0, 0.0 -0.843 68.4 -82.1-148.7-175.6 39.1 36.8 4.3 51 66 A S S S+ 0 0 132 -2,-0.2 3,-0.1 2,-0.0 -2,-0.1 0.451 90.8 122.5 -74.1 1.4 37.5 39.2 1.8 52 67 A S S S- 0 0 67 1,-0.1 -2,-0.1 -7,-0.0 2,-0.1 -0.024 76.2 -75.2 -56.7 168.5 38.8 36.7 -0.7 53 68 A L - 0 0 93 1,-0.0 2,-0.4 -8,-0.0 -1,-0.1 -0.383 38.1-144.1 -72.0 144.7 36.3 35.0 -3.1 54 69 A Y - 0 0 27 -3,-0.1 2,-0.4 -9,-0.1 -9,-0.2 -0.873 20.5-130.6-104.3 142.3 33.9 32.3 -1.9 55 70 A Y E -J 44 0B 60 -11,-3.0 -11,-2.6 -2,-0.4 -48,-0.2 -0.827 16.5-116.8-103.5 133.4 33.2 29.6 -4.5 56 71 A D E -J 43 0B 22 -50,-2.4 2,-0.4 -2,-0.4 -48,-0.4 -0.337 24.7-164.1 -63.2 140.4 29.7 28.3 -5.4 57 72 A S E -J 42 0B 1 -15,-2.7 -15,-0.6 -42,-0.1 -40,-0.2 -0.987 26.4-116.0-129.6 117.5 28.9 24.7 -4.6 58 73 A F - 0 0 0 -42,-2.4 2,-0.7 -2,-0.4 28,-0.5 -0.260 22.0-148.2 -57.4 131.8 25.9 23.2 -6.3 59 74 A V - 0 0 4 -22,-0.2 -22,-2.5 -19,-0.2 26,-0.2 -0.901 13.3-157.8-106.8 109.1 23.1 22.2 -3.9 60 75 A Y E -DE 36 84A 2 24,-2.5 24,-1.9 -2,-0.7 2,-0.4 -0.349 4.8-150.3 -77.4 162.5 21.2 19.2 -5.1 61 76 A L E - E 0 83A 9 -26,-1.4 2,-0.4 22,-0.2 22,-0.2 -0.994 10.8-169.8-141.5 132.6 17.6 18.4 -4.0 62 77 A A E - E 0 82A 6 20,-2.6 20,-2.4 -2,-0.4 269,-0.1 -0.949 10.2-170.2-118.4 141.0 15.7 15.2 -3.6 63 78 A I > - 0 0 8 -2,-0.4 3,-2.2 18,-0.2 18,-0.1 -0.942 35.1 -89.5-129.7 151.5 12.0 15.1 -2.9 64 79 A P G > S+ 0 0 23 0, 0.0 3,-0.7 0, 0.0 8,-0.1 -0.351 115.7 14.8 -60.7 135.5 9.7 12.2 -1.9 65 80 A G G > S- 0 0 1 1,-0.2 3,-2.4 6,-0.2 6,-0.1 0.336 106.5-109.8 83.9 -10.3 8.3 10.6 -5.0 66 81 A N G < S- 0 0 9 -3,-2.2 -1,-0.2 1,-0.3 -37,-0.2 0.762 78.7 -49.7 56.2 26.9 10.9 12.3 -7.2 67 82 A G G < S+ 0 0 10 -3,-0.7 2,-1.0 1,-0.2 -1,-0.3 0.391 114.0 117.2 94.5 -4.4 8.2 14.5 -8.7 68 83 A M X - 0 0 42 -3,-2.4 3,-2.8 -41,-0.2 4,-0.4 -0.791 46.9-167.4-100.0 92.0 5.8 11.6 -9.5 69 84 A S G > S+ 0 0 94 -2,-1.0 3,-1.2 1,-0.3 4,-0.3 0.757 83.6 62.8 -50.7 -30.6 2.8 12.3 -7.3 70 85 A D G 3 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.516 99.3 57.5 -76.1 -1.2 1.4 8.8 -7.9 71 86 A Q G X S+ 0 0 15 -3,-2.8 3,-2.0 1,-0.1 -1,-0.2 0.492 77.8 90.5-102.4 -8.1 4.4 7.4 -6.2 72 87 A L G X S+ 0 0 78 -3,-1.2 3,-2.0 -4,-0.4 5,-0.4 0.799 74.7 69.3 -58.5 -28.8 3.9 9.3 -2.9 73 88 A Q G 3 S+ 0 0 138 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 92.8 59.7 -62.9 -18.3 1.9 6.4 -1.6 74 89 A Y G < S+ 0 0 44 -3,-2.0 261,-1.7 261,-0.0 -1,-0.3 0.306 98.4 71.4 -94.4 8.9 5.1 4.4 -1.5 75 90 A T B < S-M 334 0C 18 -3,-2.0 259,-0.2 259,-0.2 258,-0.1 -0.519 100.1 -97.9-110.7-178.0 6.7 6.9 0.9 76 91 A Q - 0 0 73 257,-0.6 -3,-0.1 -2,-0.2 258,-0.1 0.489 55.7-116.6 -81.6 -3.6 6.0 7.5 4.6 77 92 A G + 0 0 63 -5,-0.4 2,-0.1 1,-0.2 -4,-0.1 0.642 67.6 135.2 80.8 14.4 3.8 10.5 3.8 78 93 A Y - 0 0 61 2,-0.1 -1,-0.2 1,-0.1 72,-0.0 -0.361 58.1-129.1 -86.4 173.3 5.9 13.2 5.4 79 94 A N + 0 0 97 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.150 60.8 130.4-110.2 19.9 6.6 16.6 3.8 80 95 A Q - 0 0 19 80,-0.1 2,-0.3 -17,-0.0 80,-0.2 -0.443 36.3-166.4 -75.7 145.2 10.4 16.5 4.3 81 96 A T E - f 0 160A 24 78,-2.2 80,-2.3 -18,-0.1 2,-0.4 -0.837 10.4-141.1-122.5 163.8 12.8 17.2 1.5 82 97 A Q E -Ef 62 161A 3 -20,-2.4 -20,-2.6 -2,-0.3 2,-0.3 -0.939 17.2-179.4-136.4 114.7 16.6 16.6 1.4 83 98 A A E +Ef 61 162A 0 78,-2.6 80,-2.5 -2,-0.4 2,-0.3 -0.741 9.6 173.6-105.9 156.0 19.2 18.9 -0.1 84 99 A W E -Ef 60 163A 0 -24,-1.9 -24,-2.5 -2,-0.3 2,-0.3 -0.994 17.5-159.7-159.1 158.8 22.9 18.3 -0.2 85 100 A T E - f 0 164A 0 78,-2.0 80,-2.9 -2,-0.3 2,-0.3 -0.994 7.9-160.3-143.3 146.0 26.2 19.6 -1.5 86 101 A S E + f 0 165A 3 -28,-0.5 -70,-0.3 -2,-0.3 2,-0.3 -0.943 13.7 165.7-126.8 148.2 29.6 18.0 -2.0 87 102 A F E - f 0 166A 0 78,-1.8 80,-2.6 -2,-0.3 2,-0.4 -0.977 29.1-125.6-155.3 155.2 33.1 19.4 -2.4 88 103 A L E +Bf 14 167A 5 -74,-2.2 -74,-2.4 -2,-0.3 2,-0.3 -0.836 33.5 170.2-104.8 146.7 36.6 18.1 -2.3 89 104 A Y E -B 13 0A 0 78,-2.4 80,-0.5 -2,-0.4 -76,-0.2 -0.981 34.0-174.1-152.3 160.6 39.2 19.7 -0.0 90 105 A S S S+ 0 0 50 -78,-1.7 2,-0.3 -2,-0.3 -77,-0.1 0.113 80.2 47.0-139.1 14.9 42.7 19.2 1.3 91 106 A H S S- 0 0 64 -79,-0.6 -1,-0.2 39,-0.1 42,-0.1 -0.980 100.8 -76.2-155.8 150.9 42.7 22.2 3.7 92 107 A D - 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