==== 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 22-MAR-01 1IA5 . COMPND 2 MOLECULE: POLYGALACTURONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR S.W.CHO,S.LEE,W.SHIN . 339 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 80.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 171 50.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 40 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 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 RESIDUES PER ALPHA HELIX . 2 3 8 4 7 2 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 1 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 A 0 0 141 0, 0.0 2,-0.4 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 123.2 106.0 6.7 13.0 2 2 A T - 0 0 66 2,-0.0 22,-2.0 0, 0.0 21,-1.0 -0.950 360.0-157.1-124.7 143.1 104.5 3.3 13.4 3 3 A T E -a 24 0A 97 -2,-0.4 2,-0.4 20,-0.2 22,-0.2 -0.985 15.0-164.0-114.6 128.9 102.3 1.2 11.1 4 4 A a E -a 25 0A 25 20,-3.2 22,-4.0 -2,-0.5 2,-0.5 -0.954 4.6-161.0-117.2 134.5 100.3 -1.5 12.8 5 5 A T E +a 26 0A 97 -2,-0.4 2,-0.4 20,-0.2 22,-0.2 -0.960 11.1 179.0-115.8 124.2 98.6 -4.3 11.0 6 6 A F E +a 27 0A 24 20,-3.1 22,-3.1 -2,-0.5 2,-0.3 -0.943 13.4 158.3-121.2 146.2 95.8 -6.3 12.8 7 7 A S E > +a 28 0A 68 -2,-0.4 3,-0.6 20,-0.2 22,-0.2 -0.966 26.9 17.1-156.1 170.5 93.9 -9.1 11.2 8 8 A G G > S- 0 0 27 20,-1.3 23,-1.9 21,-0.3 3,-1.2 -0.060 104.2 -23.7 63.8-156.4 91.8 -12.2 11.5 9 9 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.2 21,-0.2 4,-0.1 0.646 140.2 37.3 -76.4 -18.3 89.8 -13.5 14.4 10 10 A N G <> S+ 0 0 105 -3,-0.6 4,-1.8 1,-0.1 -1,-0.3 0.229 85.9 102.2-115.8 17.4 91.8 -11.8 17.2 11 11 A G H <> S+ 0 0 2 -3,-1.2 4,-2.8 1,-0.2 5,-0.3 0.907 76.3 56.7 -64.6 -42.3 92.4 -8.5 15.3 12 12 A A H > S+ 0 0 8 -4,-0.4 4,-2.0 19,-0.3 27,-0.2 0.903 107.7 48.2 -58.9 -42.4 89.8 -6.6 17.2 13 13 A S H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.960 113.7 45.3 -64.5 -50.1 91.3 -7.3 20.6 14 14 A S H X S+ 0 0 46 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.926 110.8 53.6 -59.8 -41.7 94.8 -6.4 19.6 15 15 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.936 109.5 49.6 -58.1 -44.1 93.7 -3.2 17.9 16 16 A S H < S+ 0 0 49 -4,-2.0 4,-0.2 -5,-0.3 -1,-0.2 0.922 115.2 41.7 -63.9 -39.9 91.9 -2.2 21.0 17 17 A K H < S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 125.9 32.8 -83.8 -20.1 94.8 -2.8 23.3 18 18 A S H >< S+ 0 0 44 -4,-2.6 3,-2.5 -5,-0.2 4,-0.3 0.444 80.7 108.6-112.2 1.4 97.5 -1.3 20.9 19 19 A K G >< S+ 0 0 22 -4,-1.8 3,-1.4 1,-0.3 25,-0.3 0.786 75.5 58.4 -54.0 -32.5 95.7 1.5 19.1 20 20 A T G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.434 101.5 54.3 -84.8 4.7 97.6 4.2 20.9 21 21 A S G < S+ 0 0 86 -3,-2.5 2,-0.5 23,-0.0 -1,-0.3 0.283 94.9 88.4-105.9 4.2 101.0 3.0 19.8 22 22 A a < - 0 0 4 -3,-1.4 22,-0.2 -4,-0.3 3,-0.2 -0.934 47.5-176.9-112.4 121.3 99.9 3.1 16.2 23 23 A S S S+ 0 0 56 -21,-1.0 25,-2.2 -2,-0.5 2,-0.4 0.835 91.6 24.1 -73.7 -38.6 100.3 6.2 13.9 24 24 A T E S-ab 3 48A 31 -22,-2.0 -20,-3.2 23,-0.2 2,-0.6 -0.997 74.1-164.4-128.9 130.2 98.6 4.1 11.3 25 25 A I E -ab 4 49A 2 23,-3.3 25,-2.8 -2,-0.4 2,-0.5 -0.943 2.7-165.1-116.5 123.6 96.4 1.2 11.9 26 26 A V E -ab 5 50A 26 -22,-4.0 -20,-3.1 -2,-0.6 2,-0.6 -0.923 4.8-158.1-110.5 133.3 95.5 -1.2 9.2 27 27 A L E -ab 6 51A 0 23,-3.0 25,-3.5 -2,-0.5 2,-0.6 -0.937 13.0-173.2-111.4 107.2 92.6 -3.6 9.7 28 28 A S E -ab 7 52A 30 -22,-3.1 -20,-1.3 -2,-0.6 25,-0.2 -0.925 64.1 -32.2-113.9 111.8 92.9 -6.7 7.4 29 29 A N S S- 0 0 86 23,-2.1 -21,-0.3 -2,-0.6 2,-0.3 0.857 81.7-177.5 49.1 43.8 90.1 -9.3 7.2 30 30 A V - 0 0 0 22,-0.4 26,-2.4 -23,-0.2 2,-0.7 -0.507 18.8-156.7 -77.1 130.6 89.2 -8.7 10.9 31 31 A A E -c 56 0B 37 -23,-1.9 -19,-0.3 -2,-0.3 26,-0.2 -0.930 14.6-147.0-106.5 106.1 86.4 -10.9 12.2 32 32 A V E -c 57 0B 3 24,-3.9 26,-2.7 -2,-0.7 3,-0.1 -0.655 21.3-115.0 -81.0 129.2 84.9 -9.1 15.2 33 33 A P > - 0 0 62 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.212 41.4 -85.9 -59.0 149.7 83.6 -11.4 17.9 34 34 A S T 3 S+ 0 0 60 1,-0.2 25,-0.2 25,-0.1 26,-0.1 -0.114 110.0 16.1 -49.6 145.0 79.9 -11.5 18.6 35 35 A G T 3 S+ 0 0 27 23,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.678 104.5 108.0 68.9 13.4 78.6 -9.0 21.0 36 36 A T < - 0 0 52 -3,-1.3 2,-0.4 22,-0.1 -1,-0.2 -0.953 62.4-128.9-130.1 148.6 81.6 -6.8 20.9 37 37 A T - 0 0 42 -2,-0.4 2,-1.2 27,-0.1 30,-0.2 -0.743 23.1-123.1 -87.5 134.6 82.5 -3.4 19.4 38 38 A L E -c 67 0A 1 28,-2.9 30,-2.6 -2,-0.4 2,-1.2 -0.708 42.4-149.2 -69.0 98.2 85.5 -2.8 17.1 39 39 A D E +c 68 0A 53 -2,-1.2 30,-0.1 -27,-0.2 -1,-0.1 -0.645 42.4 151.8 -92.6 94.9 86.7 -0.1 19.6 40 40 A L E +c 69 0A 1 28,-2.6 30,-1.3 -2,-1.2 3,-0.5 -0.072 32.4 138.2-106.1 30.8 88.6 2.6 17.8 41 41 A T + 0 0 28 28,-0.3 30,-0.1 1,-0.2 28,-0.1 -0.487 60.0 17.0 -77.9 151.7 87.6 5.2 20.4 42 42 A K S S+ 0 0 166 -2,-0.1 -1,-0.2 1,-0.1 29,-0.2 0.911 78.6 178.5 57.8 51.1 90.0 7.8 21.7 43 43 A L - 0 0 6 27,-2.1 29,-0.4 -3,-0.5 -1,-0.1 -0.440 38.2 -94.6 -73.9 154.5 92.6 7.5 19.0 44 44 A N > - 0 0 81 -25,-0.3 3,-1.7 -22,-0.2 -1,-0.1 -0.421 56.3 -82.5 -67.9 153.4 95.6 9.7 19.2 45 45 A D T 3 S+ 0 0 119 1,-0.2 28,-0.2 26,-0.1 -1,-0.1 -0.265 115.8 18.0 -49.9 137.5 95.3 12.9 17.2 46 46 A G T 3 S+ 0 0 47 26,-1.8 -1,-0.2 1,-0.2 28,-0.1 0.462 83.9 155.5 79.4 4.2 96.2 12.4 13.6 47 47 A T < - 0 0 3 -3,-1.7 28,-1.7 25,-0.4 2,-0.5 -0.351 32.6-146.0 -61.7 141.6 95.8 8.6 13.5 48 48 A H E -bd 24 75A 57 -25,-2.2 -23,-3.3 26,-0.2 2,-0.5 -0.954 11.2-165.5-111.2 129.2 95.1 7.0 10.2 49 49 A V E -bd 25 76A 1 26,-2.9 28,-3.0 -2,-0.5 2,-0.5 -0.961 2.8-168.7-115.9 126.9 92.8 3.9 10.0 50 50 A I E -bd 26 77A 41 -25,-2.8 -23,-3.0 -2,-0.5 2,-0.5 -0.981 11.1-150.0-119.4 124.2 92.7 1.8 6.9 51 51 A F E +bd 27 78A 0 26,-2.5 28,-3.0 -2,-0.5 2,-0.3 -0.818 24.3 178.0 -89.2 126.8 90.1 -0.9 6.4 52 52 A S E -b 28 0A 36 -25,-3.5 -23,-2.1 -2,-0.5 -22,-0.4 -0.954 44.0 -6.7-134.9 149.2 91.4 -3.7 4.2 53 53 A G S S- 0 0 22 -2,-0.3 30,-2.8 27,-0.3 2,-0.6 -0.379 110.2 -29.8 67.1-148.4 89.9 -7.0 3.0 54 54 A E E -e 83 0A 85 28,-0.2 2,-0.4 30,-0.1 30,-0.2 -0.919 54.2-156.5-111.8 119.5 86.5 -8.1 4.4 55 55 A T E +e 84 0A 1 28,-2.4 30,-2.5 -2,-0.6 2,-0.3 -0.803 20.8 179.4 -89.5 131.3 85.5 -7.0 7.9 56 56 A T E -c 31 0B 45 -26,-2.4 -24,-3.9 -2,-0.4 2,-0.4 -0.867 16.8-144.8-134.2 164.2 82.9 -9.3 9.5 57 57 A F E -c 32 0B 10 28,-0.4 -23,-0.1 -2,-0.3 2,-0.1 -0.989 19.6-117.7-133.0 137.7 81.0 -9.5 12.8 58 58 A G - 0 0 24 -26,-2.7 -23,-0.5 -2,-0.4 2,-0.3 -0.388 41.9-100.0 -71.0 152.0 79.8 -12.5 14.9 59 59 A Y + 0 0 79 -25,-0.2 2,-0.3 -2,-0.1 -25,-0.1 -0.577 55.5 140.9 -80.6 133.6 76.1 -12.8 15.4 60 60 A K - 0 0 106 -2,-0.3 2,-1.1 2,-0.1 -25,-0.1 -0.945 52.2-117.2-159.5 148.6 74.4 -11.7 18.6 61 61 A E + 0 0 102 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.790 69.3 115.1 -90.2 104.4 71.2 -10.0 19.5 62 62 A W S S- 0 0 46 -2,-1.1 -2,-0.1 40,-0.5 -27,-0.0 -0.917 72.6-105.7-159.5 176.7 72.4 -6.7 21.1 63 63 A S + 0 0 79 1,-0.3 42,-1.9 -2,-0.3 3,-0.1 0.475 59.6 175.3-103.9 4.1 72.3 -3.1 20.3 64 64 A G - 0 0 14 40,-0.3 -1,-0.3 1,-0.2 2,-0.1 -0.384 55.0-144.2 83.9-167.0 75.8 -2.3 19.1 65 65 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 41,-0.2 0.558 23.5-167.2 -79.3 157.2 77.6 -0.4 18.0 66 66 A L S S+ 0 0 2 39,-1.8 -28,-2.9 40,-0.3 2,-0.4 0.837 81.0 21.5 -70.9 -39.4 79.5 -2.8 15.8 67 67 A I E S-cf 38 107A 0 39,-2.3 41,-2.9 -30,-0.2 2,-0.4 -0.998 70.2-172.6-132.1 138.4 82.2 -0.1 15.2 68 68 A S E +cf 39 108A 20 -30,-2.6 -28,-2.6 -2,-0.4 2,-0.3 -0.997 5.4 175.8-137.2 130.8 83.0 2.9 17.3 69 69 A V E +cf 40 109A 2 39,-2.4 41,-1.0 -2,-0.4 -28,-0.3 -0.992 5.7 158.8-134.7 142.9 85.5 5.8 16.5 70 70 A S E + 0 0 18 -30,-1.3 -27,-2.1 -2,-0.3 2,-0.3 -0.966 25.8 78.0-156.9 153.8 86.3 9.0 18.3 71 71 A G E - f 0 112A 15 40,-1.9 42,-1.9 -2,-0.3 2,-0.3 -0.865 64.9 -67.2 136.5-169.2 89.2 11.6 18.4 72 72 A S E S+ f 0 113A 31 -29,-0.4 -26,-1.8 -2,-0.3 -25,-0.4 -0.890 96.9 8.6-125.0 150.6 90.7 14.5 16.5 73 73 A D S S+ 0 0 75 40,-2.0 2,-0.3 -2,-0.3 42,-0.2 0.807 84.7 160.2 52.3 35.7 92.4 14.9 13.1 74 74 A L - 0 0 2 39,-0.4 42,-2.5 -3,-0.2 2,-0.4 -0.630 30.7-160.2 -83.2 143.8 91.7 11.3 12.1 75 75 A T E -dg 48 116A 53 -28,-1.7 -26,-2.9 -2,-0.3 2,-0.5 -0.998 11.4-179.5-118.3 120.7 91.6 9.9 8.6 76 76 A I E +dg 49 117A 2 40,-2.6 42,-2.8 -2,-0.4 2,-0.3 -0.982 14.1 160.4-126.9 127.6 89.7 6.7 8.2 77 77 A T E -dg 50 118A 25 -28,-3.0 -26,-2.5 -2,-0.5 2,-0.4 -0.866 34.8-117.8-138.4 168.6 89.7 5.1 4.7 78 78 A G E -d 51 0A 23 40,-1.0 -26,-0.2 -2,-0.3 2,-0.1 -0.931 25.0-131.9-112.2 134.7 89.1 1.9 2.8 79 79 A A > - 0 0 31 -28,-3.0 3,-2.1 -2,-0.4 -26,-0.0 -0.388 46.4 -74.8 -75.7 157.6 91.6 0.2 0.7 80 80 A S T 3 S+ 0 0 129 1,-0.3 -27,-0.3 -2,-0.1 -1,-0.2 -0.305 118.5 12.8 -54.8 134.0 90.8 -1.0 -2.8 81 81 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.474 95.9 134.5 77.9 3.2 88.6 -4.1 -2.8 82 82 A H < - 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