==== 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 15-JUL-04 1WMR . COMPND 2 MOLECULE: ISOPULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR M.MIZUNO,T.TONOZUKA,Y.MIYASAKA,H.AKEBOSHI,S.KAMITORI,A.NISHI . 1098 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 332 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 10.8 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 . 0 0.0 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 . 132 12.0 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 . 19 1.7 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 . 6 11 17 6 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 . 8 6 5 6 1 3 1 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 . 5 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 0 269 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-178.4 8.6 68.7 26.2 2 17 A E - 0 0 183 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.472 360.0 -92.8 -70.9 136.4 10.8 67.5 23.3 3 18 A F - 0 0 214 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.138 50.2-178.2 -49.8 140.6 12.7 64.3 24.1 4 19 A M - 0 0 123 -3,-0.1 2,-0.1 2,-0.0 -1,-0.0 -0.966 32.1-101.8-141.4 151.8 16.1 64.8 25.6 5 20 A A - 0 0 29 -2,-0.3 2,-0.5 50,-0.0 12,-0.1 -0.494 32.0-150.9 -73.4 146.4 18.8 62.4 26.7 6 21 A V - 0 0 59 -2,-0.1 50,-2.3 48,-0.1 2,-0.2 -0.954 13.6-165.3-125.1 112.5 19.0 61.9 30.4 7 22 A T - 0 0 61 -2,-0.5 2,-0.3 48,-0.2 9,-0.1 -0.611 18.1-117.7 -97.5 156.8 22.4 61.1 31.8 8 23 A A + 0 0 1 48,-0.4 7,-1.8 -2,-0.2 -1,-0.0 -0.727 31.1 167.1 -94.3 139.8 23.4 59.7 35.2 9 24 A N B +A 14 0A 136 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.404 36.5 113.8-148.5 60.9 25.6 61.6 37.7 10 25 A N S S- 0 0 54 3,-2.6 3,-0.3 0, 0.0 -2,-0.0 -0.762 80.5 -89.4-127.1 175.7 25.4 59.9 41.0 11 26 A S S S+ 0 0 94 -2,-0.2 158,-0.1 1,-0.2 3,-0.1 0.494 124.5 37.0 -64.1 -5.1 27.7 57.9 43.4 12 27 A Q S S+ 0 0 77 1,-0.3 78,-1.9 77,-0.1 79,-0.7 0.623 121.9 25.9-119.0 -23.8 26.8 54.6 41.7 13 28 A L E - B 0 89A 0 -3,-0.3 -3,-2.6 76,-0.2 2,-0.3 -1.000 50.8-179.3-148.4 143.3 26.5 55.5 38.0 14 29 A L E +AB 9 88A 33 74,-2.3 74,-2.2 -2,-0.3 2,-0.3 -0.941 12.3 161.5-145.8 118.5 27.8 58.1 35.5 15 30 A T - 0 0 3 -7,-1.8 2,-0.3 -2,-0.3 42,-0.1 -0.827 16.7-156.8-127.9 167.4 26.9 58.3 31.8 16 31 A W - 0 0 14 70,-0.4 42,-2.3 -2,-0.3 2,-0.3 -0.900 5.2-154.4-143.4 173.7 27.2 61.1 29.4 17 32 A W - 0 0 84 -2,-0.3 2,-0.4 40,-0.2 -10,-0.0 -0.928 12.4-138.7-145.6 165.5 26.0 62.6 26.1 18 33 A H > - 0 0 8 -2,-0.3 3,-1.5 1,-0.1 16,-0.1 -0.950 3.0-163.7-132.3 112.0 27.0 64.8 23.2 19 34 A N T 3 S+ 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 14,-0.0 0.698 94.1 57.5 -68.0 -18.3 24.4 67.3 21.8 20 35 A T T 3 S+ 0 0 59 12,-0.1 14,-1.7 2,-0.1 -1,-0.3 0.021 77.9 144.3 -98.6 26.8 26.5 67.7 18.7 21 36 A G E < -h 34 0B 24 -3,-1.5 2,-0.4 12,-0.2 14,-0.2 -0.468 33.3-160.4 -66.4 133.1 26.3 64.0 18.1 22 37 A E E -h 35 0B 43 12,-3.3 14,-3.0 -2,-0.2 2,-0.7 -0.970 15.9-143.3-124.8 128.1 26.1 63.3 14.3 23 38 A I + 0 0 114 -2,-0.4 2,-0.3 12,-0.2 14,-0.1 -0.791 44.2 143.1 -87.4 115.4 24.9 60.1 12.6 24 39 A N + 0 0 20 -2,-0.7 5,-0.1 12,-0.5 -2,-0.1 -0.917 26.6 174.2-157.5 124.8 27.2 59.7 9.6 25 40 A T S S+ 0 0 88 -2,-0.3 42,-0.1 3,-0.1 -1,-0.0 0.217 80.9 35.8-118.2 14.5 28.5 56.5 8.1 26 41 A Q S S+ 0 0 150 1,-0.2 43,-0.2 40,-0.1 -2,-0.0 0.623 107.2 37.6-137.3 -30.1 30.3 57.9 5.0 27 42 A T S S- 0 0 73 41,-0.1 -1,-0.2 42,-0.0 2,-0.2 -0.757 88.4 -76.2-126.9 172.9 31.9 61.3 5.4 28 43 A P - 0 0 77 0, 0.0 39,-0.1 0, 0.0 3,-0.1 -0.489 51.1-123.0 -68.5 132.1 33.9 63.3 8.0 29 44 A V - 0 0 11 -2,-0.2 6,-0.1 37,-0.2 4,-0.0 -0.301 39.7 -82.1 -71.0 160.7 31.6 64.6 10.7 30 45 A A > - 0 0 50 1,-0.1 3,-1.6 -10,-0.1 -1,-0.1 -0.185 45.3-105.5 -58.4 158.0 31.6 68.4 11.3 31 46 A D T 3 S+ 0 0 77 1,-0.3 204,-0.1 -3,-0.1 158,-0.1 0.940 120.9 39.1 -50.7 -58.8 34.4 69.8 13.5 32 47 A G T 3 S+ 0 0 31 156,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.266 106.4 94.3 -79.6 14.4 32.3 70.4 16.6 33 48 A N < - 0 0 43 -3,-1.6 2,-0.4 -12,-0.0 -12,-0.2 -0.646 62.7-144.3-106.7 164.0 30.4 67.1 16.0 34 49 A V E -h 21 0B 0 -14,-1.7 -12,-3.3 -2,-0.2 2,-0.2 -0.985 26.1-117.1-129.9 121.0 30.9 63.5 17.2 35 50 A R E -h 22 0B 4 -2,-0.4 26,-1.7 -14,-0.2 2,-0.4 -0.383 38.9-166.9 -60.1 121.7 30.1 60.5 15.0 36 51 A Q B -C 60 0A 32 -14,-3.0 -12,-0.5 24,-0.2 24,-0.2 -0.911 24.7-107.6-117.5 138.8 27.3 58.7 16.7 37 52 A S - 0 0 12 22,-2.4 22,-0.2 -2,-0.4 -14,-0.1 -0.434 22.2-168.7 -64.0 129.2 26.0 55.2 16.1 38 53 A G S S+ 0 0 44 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.338 85.2 52.3 -98.9 5.6 22.6 55.2 14.3 39 54 A L S S+ 0 0 33 1,-0.2 61,-0.6 60,-0.1 2,-0.4 0.739 103.0 51.2-109.5 -33.4 22.2 51.5 14.9 40 55 A Y E -I 99 0C 6 59,-0.2 2,-0.4 19,-0.1 59,-0.2 -0.932 54.5-172.4-118.4 131.1 22.8 51.0 18.7 41 56 A S E -I 98 0C 73 57,-2.6 57,-2.5 -2,-0.4 2,-0.4 -0.952 12.0-163.8-116.6 135.2 21.2 52.8 21.6 42 57 A V E +IJ 97 57C 3 15,-0.6 15,-2.9 -2,-0.4 2,-0.4 -0.972 13.0 174.1-128.5 136.3 22.5 52.2 25.2 43 58 A K E -IJ 96 56C 63 53,-2.0 53,-3.2 -2,-0.4 2,-0.4 -0.986 16.1-149.9-134.4 142.6 21.0 52.9 28.6 44 59 A V E -IJ 95 55C 0 11,-2.9 11,-2.5 -2,-0.4 2,-0.4 -0.943 8.7-170.9-120.9 137.7 22.3 51.9 32.0 45 60 A Q E -I 94 0C 4 49,-2.8 49,-3.6 -2,-0.4 2,-0.2 -0.961 22.1-131.6-131.4 119.0 20.5 51.1 35.2 46 61 A T E -I 93 0C 27 -2,-0.4 47,-0.3 47,-0.3 46,-0.1 -0.442 52.0 -81.2 -63.8 130.3 22.1 50.6 38.6 47 62 A T S S+ 0 0 22 45,-2.9 2,-0.1 -2,-0.2 -1,-0.1 -0.278 101.8 75.8 -71.3 162.6 20.7 47.4 40.2 48 63 A P S S- 0 0 110 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.476 87.7-125.3 -65.2 145.4 18.4 46.2 41.7 49 64 A A + 0 0 62 -2,-0.1 2,-0.3 2,-0.1 -2,-0.1 -0.499 47.4 155.6 -67.4 119.1 16.5 46.4 38.4 50 65 A S - 0 0 64 -2,-0.4 -1,-0.0 3,-0.1 0, 0.0 -0.819 63.9 -91.7-137.1 175.0 13.3 48.3 38.9 51 66 A S S S+ 0 0 132 -2,-0.3 3,-0.1 2,-0.0 -2,-0.1 0.376 94.0 118.0 -70.2 8.0 10.7 50.3 37.0 52 67 A S S S- 0 0 77 1,-0.2 2,-0.3 -7,-0.0 -3,-0.0 0.340 75.9 -56.1 -57.7-162.4 13.1 53.1 38.1 53 68 A L - 0 0 87 -7,-0.0 2,-0.4 2,-0.0 -7,-0.2 -0.646 39.6-155.3 -92.7 141.3 15.0 55.2 35.6 54 69 A Y - 0 0 34 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.931 19.6-139.5-108.4 133.2 17.5 54.0 32.9 55 70 A Y E -J 44 0C 59 -11,-2.5 -11,-2.9 -2,-0.4 -48,-0.2 -0.786 14.6-115.2-102.4 140.6 20.1 56.6 31.9 56 71 A D E -J 43 0C 33 -50,-2.3 2,-0.4 -2,-0.4 -48,-0.4 -0.360 23.4-162.1 -69.0 144.6 21.3 57.2 28.3 57 72 A S E -J 42 0C 0 -15,-2.9 -15,-0.6 -42,-0.1 -40,-0.2 -0.966 25.8-116.6-132.8 114.2 24.9 56.4 27.4 58 73 A F - 0 0 0 -42,-2.3 2,-0.8 -2,-0.4 28,-0.4 -0.240 22.5-146.5 -53.4 126.0 26.3 57.9 24.2 59 74 A V - 0 0 5 -22,-0.2 -22,-2.4 -19,-0.2 26,-0.2 -0.859 15.2-155.4-100.9 108.5 27.2 55.3 21.6 60 75 A Y E -CD 36 84A 2 24,-3.1 24,-1.9 -2,-0.8 2,-0.4 -0.335 3.7-151.5 -76.1 161.0 30.3 56.5 19.6 61 76 A L E - D 0 83A 12 -26,-1.7 2,-0.4 22,-0.2 22,-0.2 -0.991 12.6-175.8-141.5 131.5 31.1 55.3 16.1 62 77 A A E - D 0 82A 4 20,-2.2 20,-2.6 -2,-0.4 269,-0.1 -0.968 10.9-173.8-122.2 139.6 34.4 54.9 14.2 63 78 A I > - 0 0 6 -2,-0.4 3,-1.5 18,-0.2 18,-0.1 -0.925 36.3 -87.1-131.3 155.6 34.5 53.8 10.6 64 79 A P G > S+ 0 0 21 0, 0.0 3,-0.7 0, 0.0 8,-0.1 -0.415 114.8 14.6 -64.0 136.9 37.3 52.9 8.2 65 80 A G G > S- 0 0 2 1,-0.2 3,-1.5 6,-0.2 5,-0.1 0.167 105.0-110.2 86.8 -20.3 38.7 56.0 6.5 66 81 A N G < S- 0 0 8 -3,-1.5 -1,-0.2 1,-0.3 -37,-0.2 0.840 80.1 -48.2 63.2 34.0 37.0 58.3 9.0 67 82 A G G < S+ 0 0 10 -3,-0.7 2,-1.0 1,-0.2 -1,-0.3 0.429 117.2 117.5 86.8 -3.3 34.7 59.4 6.2 68 83 A M X - 0 0 52 -3,-1.5 3,-1.6 -41,-0.2 4,-0.4 -0.790 42.1-176.3 -99.7 91.3 37.6 59.9 3.9 69 84 A S G > S+ 0 0 96 -2,-1.0 3,-1.0 1,-0.3 4,-0.3 0.759 80.1 64.5 -59.6 -27.3 37.0 57.5 1.1 70 85 A D G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.242 101.2 55.5 -81.1 16.8 40.3 58.3 -0.6 71 86 A Q G X S+ 0 0 12 -3,-1.6 3,-2.3 -7,-0.1 -1,-0.2 0.475 77.9 89.7-120.8 -15.6 41.9 56.8 2.5 72 87 A L G X S+ 0 0 75 -3,-1.0 3,-2.8 -4,-0.4 5,-0.4 0.815 71.6 75.8 -54.6 -32.9 40.2 53.4 2.5 73 88 A Q G 3 S+ 0 0 138 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.639 90.6 58.3 -55.1 -14.2 43.1 52.1 0.4 74 89 A Y G < S+ 0 0 48 -3,-2.3 261,-1.8 261,-0.0 -1,-0.3 0.221 98.3 72.0-102.0 13.4 45.1 52.1 3.6 75 90 A T B < S-M 334 0D 17 -3,-2.8 259,-0.2 259,-0.2 258,-0.1 -0.611 99.8 -98.8-116.0 176.9 42.6 49.8 5.5 76 91 A Q - 0 0 71 257,-0.5 -3,-0.1 -2,-0.2 258,-0.1 0.491 58.3-114.5 -78.4 -0.0 42.1 46.0 5.0 77 92 A G + 0 0 61 -5,-0.4 2,-0.2 1,-0.2 -4,-0.1 0.650 67.6 139.6 79.9 16.0 39.0 46.9 2.9 78 93 A Y - 0 0 54 255,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.530 54.6-134.7 -89.1 161.3 36.3 45.5 5.1 79 94 A N + 0 0 93 -2,-0.2 2,-0.2 -16,-0.1 -1,-0.1 0.053 60.5 130.7-101.5 23.6 33.0 47.2 5.7 80 95 A Q - 0 0 15 80,-0.1 2,-0.3 -17,-0.0 80,-0.2 -0.515 37.9-164.7 -78.5 145.7 33.1 46.6 9.5 81 96 A T E - e 0 160A 23 78,-2.4 80,-2.7 -2,-0.2 2,-0.5 -0.876 11.7-136.9-125.6 160.6 32.4 49.6 11.8 82 97 A Q E -De 62 161A 3 -20,-2.6 -20,-2.2 -2,-0.3 2,-0.3 -0.935 18.9-178.4-127.7 111.8 33.1 49.9 15.5 83 98 A A E +De 61 162A 0 78,-3.0 80,-2.8 -2,-0.5 2,-0.3 -0.778 12.2 168.4-102.9 148.6 30.6 51.4 17.9 84 99 A W E -De 60 163A 0 -24,-1.9 -24,-3.1 -2,-0.3 2,-0.3 -0.993 19.3-165.4-156.6 161.5 31.3 51.8 21.6 85 100 A T E - e 0 164A 0 78,-1.6 80,-2.5 -2,-0.3 2,-0.3 -0.987 8.7-158.9-148.8 146.1 30.1 53.4 24.8 86 101 A S E + e 0 165A 4 -28,-0.4 -70,-0.4 -2,-0.3 2,-0.3 -0.924 12.2 170.8-127.1 153.8 31.7 54.0 28.2 87 102 A F E - 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