==== 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 27-MAR-01 1IB4 . COMPND 2 MOLECULE: POLYGALACTURONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR S.W.CHO,W.SHIN . 678 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 81.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 345 50.9 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 . 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 . 92 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 . 4 6 19 4 14 7 0 0 0 3 2 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 . 2 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 1 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 0 136 0, 0.0 21,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 91.9 38.7 -12.8 14.6 2 2 A T - 0 0 69 19,-0.1 22,-0.7 23,-0.0 2,-0.3 -0.241 360.0-164.8 -69.0 154.7 38.2 -9.8 12.5 3 3 A T E -a 24 0A 94 20,-0.2 2,-0.4 19,-0.1 22,-0.2 -0.991 5.8-165.7-138.7 133.9 38.0 -9.8 8.7 4 4 A a E -a 25 0A 28 20,-3.1 22,-3.6 -2,-0.3 2,-0.5 -0.979 7.2-161.6-128.3 138.8 38.3 -6.7 6.5 5 5 A T E -a 26 0A 93 -2,-0.4 2,-0.4 20,-0.2 22,-0.2 -0.961 7.8-176.3-116.1 126.9 37.6 -6.1 2.8 6 6 A F E +a 27 0A 22 20,-2.6 22,-2.5 -2,-0.5 2,-0.3 -0.969 13.6 168.7-120.5 138.5 39.0 -3.1 0.9 7 7 A S E > +a 28 0A 74 -2,-0.4 3,-0.6 20,-0.2 23,-0.2 -0.944 31.8 10.6-146.5 164.6 38.1 -2.4 -2.7 8 8 A G E 3 S-a 30 0A 28 21,-1.0 23,-3.4 20,-0.8 3,-0.3 -0.318 106.0 -28.7 72.2-146.2 38.2 0.1 -5.5 9 9 A S T 3 S+ 0 0 85 21,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.567 137.1 42.5 -91.6 -15.8 40.3 3.3 -5.7 10 10 A N S <> S+ 0 0 116 -3,-0.6 4,-2.1 2,-0.1 -1,-0.2 0.240 86.5 96.6-111.5 11.4 40.4 4.2 -2.0 11 11 A G H > S+ 0 0 2 -3,-0.3 4,-3.2 1,-0.2 5,-0.2 0.893 79.1 55.3 -65.0 -41.9 41.1 0.6 -0.8 12 12 A A H > S+ 0 0 9 -4,-0.3 4,-2.5 19,-0.2 -1,-0.2 0.902 108.9 49.3 -58.1 -45.4 44.9 1.1 -0.6 13 13 A S H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.954 113.9 43.2 -58.5 -56.0 44.4 4.0 1.7 14 14 A S H X S+ 0 0 51 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.906 112.5 55.3 -61.0 -40.4 42.0 2.2 4.0 15 15 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.948 109.1 45.5 -56.0 -51.1 44.2 -0.9 4.0 16 16 A S H < S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.821 116.2 48.3 -64.4 -29.9 47.2 1.0 5.1 17 17 A K H < S+ 0 0 174 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.758 123.8 27.2 -82.6 -28.2 45.2 2.8 7.7 18 18 A S H >< S+ 0 0 42 -4,-2.4 3,-2.5 -5,-0.2 4,-0.2 0.526 81.6 109.8-118.3 4.1 43.5 -0.3 9.2 19 19 A K G >< S+ 0 0 21 -4,-1.9 3,-0.9 1,-0.3 25,-0.4 0.703 77.3 57.4 -53.1 -26.7 45.8 -3.2 8.6 20 20 A T G 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.395 104.0 54.1 -91.5 11.8 46.8 -3.7 12.2 21 21 A S G < S+ 0 0 87 -3,-2.5 2,-0.5 1,-0.1 -1,-0.2 0.327 96.6 78.3-116.2 4.3 43.1 -4.1 13.2 22 22 A a < - 0 0 4 -3,-0.9 22,-0.2 -4,-0.2 3,-0.2 -0.959 52.0-168.7-122.0 118.4 42.4 -6.9 10.7 23 23 A S S S+ 0 0 59 -2,-0.5 25,-2.5 1,-0.3 2,-0.4 0.849 92.0 25.9 -71.0 -30.9 43.4 -10.6 11.2 24 24 A T E S-ab 3 48A 31 -22,-0.7 -20,-3.1 23,-0.2 2,-0.5 -0.993 72.7-166.9-132.2 125.1 42.5 -11.1 7.6 25 25 A I E -ab 4 49A 0 23,-2.9 25,-2.9 -2,-0.4 2,-0.5 -0.966 4.0-162.4-117.0 124.9 42.5 -8.5 4.9 26 26 A V E -ab 5 50A 25 -22,-3.6 -20,-2.6 -2,-0.5 2,-0.7 -0.929 3.4-159.0-105.2 120.5 40.8 -9.1 1.6 27 27 A L E -ab 6 51A 0 23,-3.0 25,-3.3 -2,-0.5 2,-0.6 -0.905 13.9-175.5-101.1 107.4 41.8 -6.8 -1.3 28 28 A S E -ab 7 52A 30 -22,-2.5 -20,-0.8 -2,-0.7 25,-0.2 -0.925 65.7 -29.4-111.0 112.0 39.1 -6.9 -3.9 29 29 A N E S- 0 0 90 23,-1.8 -21,-1.0 -2,-0.6 2,-0.4 0.881 82.4-179.7 53.7 43.1 39.6 -5.0 -7.2 30 30 A V E -a 8 0A 0 22,-0.3 26,-2.1 -23,-0.2 2,-0.7 -0.614 17.6-155.9 -79.1 131.6 41.8 -2.5 -5.5 31 31 A A E -c 56 0B 30 -23,-3.4 26,-0.2 -2,-0.4 -19,-0.2 -0.935 13.6-143.9-110.2 106.8 43.1 0.2 -7.9 32 32 A V E -c 57 0B 3 24,-3.2 26,-3.0 -2,-0.7 3,-0.1 -0.593 21.3-113.4 -76.0 122.4 46.3 1.7 -6.5 33 33 A P > - 0 0 60 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.121 44.4 -88.9 -51.3 144.1 46.7 5.4 -7.0 34 34 A S T 3 S+ 0 0 62 1,-0.2 25,-0.2 23,-0.1 3,-0.1 -0.284 109.4 15.9 -58.7 143.3 49.6 6.3 -9.4 35 35 A G T 3 S+ 0 0 20 23,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.552 104.3 108.0 72.8 11.6 53.0 6.8 -7.7 36 36 A T < - 0 0 55 -3,-1.5 2,-0.4 22,-0.1 -1,-0.2 -0.834 63.1-127.4-121.6 163.5 52.0 5.1 -4.5 37 37 A T - 0 0 41 -2,-0.3 2,-1.4 -3,-0.1 30,-0.3 -0.859 23.1-120.2-104.4 134.8 52.8 1.8 -2.9 38 38 A L E -c 67 0A 1 28,-4.2 30,-2.4 -2,-0.4 2,-1.2 -0.632 40.3-148.6 -71.4 101.3 50.3 -0.7 -1.6 39 39 A D E +c 68 0A 60 -2,-1.4 30,-0.1 1,-0.2 -1,-0.1 -0.628 42.7 150.5 -87.6 98.3 51.7 -0.4 1.9 40 40 A L E > +c 69 0A 0 28,-2.9 30,-1.2 -2,-1.2 3,-0.6 -0.046 33.9 140.6-109.1 19.9 51.3 -3.8 3.6 41 41 A T T 3 + 0 0 42 28,-0.3 30,-0.1 1,-0.2 28,-0.1 -0.319 59.4 11.3 -66.8 144.0 54.3 -3.1 5.7 42 42 A K T 3 S- 0 0 152 69,-0.1 -1,-0.2 1,-0.1 29,-0.2 0.880 79.8-179.4 59.5 43.5 54.6 -4.1 9.4 43 43 A L < - 0 0 10 27,-1.9 29,-0.5 -3,-0.6 2,-0.1 -0.288 37.6 -88.3 -68.7 158.9 51.5 -6.3 9.6 44 44 A N > - 0 0 81 -25,-0.4 3,-2.4 -22,-0.2 -1,-0.1 -0.492 58.2 -84.5 -69.4 144.1 50.5 -7.9 12.9 45 45 A D T 3 S+ 0 0 100 1,-0.3 28,-0.2 -2,-0.1 -1,-0.1 -0.183 116.5 17.7 -46.0 126.1 52.1 -11.3 13.5 46 46 A G T 3 S+ 0 0 28 26,-2.8 -1,-0.3 1,-0.2 27,-0.1 0.403 85.4 160.9 88.3 -0.4 50.0 -14.0 11.8 47 47 A T < - 0 0 4 -3,-2.4 28,-2.7 25,-0.4 2,-0.4 -0.210 29.0-145.7 -58.0 143.2 48.1 -11.7 9.4 48 48 A H E -bd 24 75A 88 -25,-2.5 -23,-2.9 26,-0.2 2,-0.4 -0.945 12.0-167.0-108.0 132.0 46.4 -13.3 6.4 49 49 A V E -bd 25 76A 2 26,-3.2 28,-3.3 -2,-0.4 2,-0.5 -0.976 0.2-167.0-120.5 127.4 46.2 -11.3 3.2 50 50 A I E -bd 26 77A 51 -25,-2.9 -23,-3.0 -2,-0.4 2,-0.6 -0.966 9.8-152.1-118.7 123.9 43.9 -12.4 0.3 51 51 A F E +bd 27 78A 1 26,-3.1 28,-3.5 -2,-0.5 2,-0.3 -0.863 25.6 176.7 -90.2 123.0 44.2 -10.9 -3.2 52 52 A S E -b 28 0A 34 -25,-3.3 -23,-1.8 -2,-0.6 -22,-0.3 -0.876 43.6 -8.6-128.6 154.7 40.8 -11.0 -4.9 53 53 A G S S- 0 0 25 27,-0.3 30,-2.8 -2,-0.3 2,-0.5 -0.215 111.0 -28.6 54.8-145.6 39.5 -9.8 -8.3 54 54 A E E -e 83 0A 84 28,-0.2 2,-0.4 30,-0.1 30,-0.2 -0.922 53.4-156.7-114.9 122.5 41.9 -7.6 -10.3 55 55 A T E +e 84 0A 0 28,-2.6 30,-2.1 -2,-0.5 2,-0.3 -0.818 21.0 178.4 -92.8 131.2 44.5 -5.4 -8.6 56 56 A T E -c 31 0B 42 -26,-2.1 -24,-3.2 -2,-0.4 2,-0.4 -0.826 17.1-144.8-133.3 163.8 45.7 -2.4 -10.8 57 57 A F E -c 32 0B 8 28,-0.4 -23,-0.1 -2,-0.3 2,-0.1 -0.992 21.9-114.1-133.9 142.3 48.1 0.6 -10.4 58 58 A G - 0 0 24 -26,-3.0 -23,-0.5 -2,-0.4 2,-0.5 -0.339 42.4-102.8 -71.5 154.6 47.9 4.1 -11.7 59 59 A Y + 0 0 86 -25,-0.2 2,-0.3 -2,-0.1 -25,-0.1 -0.622 56.8 134.7 -87.9 129.1 50.6 5.1 -14.3 60 60 A K - 0 0 104 -2,-0.5 2,-1.1 2,-0.1 -25,-0.2 -0.934 56.4-108.4-165.6 145.7 53.6 7.2 -13.3 61 61 A E + 0 0 59 -2,-0.3 2,-0.2 42,-0.1 42,-0.2 -0.670 69.5 116.9 -74.5 102.9 57.3 7.3 -13.8 62 62 A W S S- 0 0 30 -2,-1.1 -2,-0.1 40,-0.6 552,-0.1 -0.873 70.3-107.8-153.3-174.4 58.7 6.3 -10.4 63 63 A S + 0 0 28 1,-0.3 42,-2.3 -2,-0.2 3,-0.1 0.530 60.2 173.0-104.3 -4.4 60.8 3.6 -8.8 64 64 A G - 0 0 10 40,-0.3 -1,-0.3 1,-0.2 42,-0.1 -0.377 56.0-147.6 77.6-164.6 58.2 1.7 -6.8 65 65 A P - 0 0 23 0, 0.0 -1,-0.2 0, 0.0 41,-0.2 0.452 22.6-166.1 -81.1 154.4 57.7 -0.6 -5.2 66 66 A L S S+ 0 0 2 39,-1.9 -28,-4.2 40,-0.2 2,-0.4 0.879 81.0 24.1 -67.0 -39.4 54.1 -1.0 -6.3 67 67 A I E -cf 38 107A 0 39,-2.8 41,-2.8 -30,-0.3 2,-0.4 -0.987 68.0-173.9-131.1 141.7 53.5 -3.4 -3.4 68 68 A S E +cf 39 108A 22 -30,-2.4 -28,-2.9 -2,-0.4 2,-0.4 -0.962 5.2 174.9-142.1 121.2 55.3 -3.8 -0.1 69 69 A V E +cf 40 109A 1 39,-2.2 41,-0.9 -2,-0.4 2,-0.3 -0.967 6.3 160.0-125.7 141.2 54.9 -6.4 2.6 70 70 A S E + 0 0 16 -30,-1.2 -27,-1.9 -2,-0.4 2,-0.3 -0.980 24.7 75.4-154.8 152.5 56.8 -7.0 5.8 71 71 A G E - f 0 112A 18 40,-2.5 42,-2.1 -2,-0.3 2,-0.4 -0.879 63.8 -55.3 137.2-170.4 56.2 -8.9 9.1 72 72 A S E S- f 0 113A 40 -29,-0.5 -26,-2.8 -2,-0.3 -25,-0.4 -0.910 97.3 -2.3-123.8 136.7 56.0 -12.2 10.9 73 73 A D S S+ 0 0 68 40,-2.3 2,-0.3 -2,-0.4 42,-0.2 0.910 86.4 168.3 57.8 40.6 54.1 -15.4 10.4 74 74 A L - 0 0 2 39,-0.5 42,-2.6 -3,-0.2 2,-0.5 -0.632 28.5-159.4 -90.2 148.0 52.2 -13.9 7.5 75 75 A T E +dg 48 116A 45 -28,-2.7 -26,-3.2 -2,-0.3 2,-0.5 -0.969 13.5 176.6-121.0 118.2 50.0 -15.7 5.0 76 76 A I E +dg 49 117A 3 40,-2.6 42,-2.3 -2,-0.5 2,-0.3 -0.953 9.8 165.2-128.2 127.5 49.4 -14.0 1.7 77 77 A T E -dg 50 118A 41 -28,-3.3 -26,-3.1 -2,-0.5 2,-0.5 -0.866 34.3-122.6-136.1 166.3 47.4 -15.7 -1.1 78 78 A G E -d 51 0A 19 40,-1.1 -26,-0.2 -2,-0.3 3,-0.1 -0.952 30.2-131.1-110.2 122.9 45.6 -15.1 -4.3 79 79 A A > - 0 0 27 -28,-3.5 3,-2.3 -2,-0.5 -29,-0.0 -0.366 42.4 -81.5 -66.1 152.2 41.9 -16.1 -4.6 80 80 A S T 3 S+ 0 0 131 1,-0.3 -27,-0.3 -28,-0.0 -1,-0.1 -0.308 119.7 17.3 -52.7 136.5 40.8 -18.2 -7.5 81 81 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 -29,-0.1 0.298 97.3 128.5 83.0 -9.4 40.3 -15.9 -10.5 82 82 A H < - 0 0 13 -3,-2.3 2,-0.3 -31,-0.2 -1,-0.3 -0.237 33.8-176.6 -70.8 165.1 42.3 -13.1 -9.0 83 83 A S E -e 54 0A 20 -30,-2.8 -28,-2.6 -3,-0.1 2,-0.7 -0.982 24.8-143.3-155.5 154.1 45.1 -11.3 -10.9 84 84 A I E -eh 55 122A 3 37,-2.5 39,-1.9 -2,-0.3 2,-0.7 -0.835 27.8-162.9-120.5 101.3 47.6 -8.6 -10.0 85 85 A N E + h 0 123A 31 -30,-2.1 -28,-0.4 -2,-0.7 39,-0.2 -0.712 23.5 176.9 -98.6 107.3 48.0 -6.6 -13.2 86 86 A G - 0 0 0 37,-2.8 38,-0.2 -2,-0.7 -1,-0.1 0.739 25.3-151.8 -73.6 -22.4 50.9 -4.3 -13.7 87 87 A D > + 0 0 60 36,-0.7 3,-1.6 1,-0.1 4,-0.2 0.949 24.1 177.3 42.2 58.0 50.0 -3.3 -17.3 88 88 A G G >> + 0 0 0 36,-1.5 3,-2.7 1,-0.3 4,-2.0 0.677 58.8 84.3 -68.3 -19.5 53.7 -2.8 -17.8 89 89 A S G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.627 77.4 71.5 -63.0 -12.6 53.3 -1.9 -21.5 90 90 A R G <4 S+ 0 0 68 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.763 113.7 26.4 -66.3 -25.7 52.6 1.6 -20.3 91 91 A W T <4 S+ 0 0 0 -3,-2.7 10,-0.3 -4,-0.2 -2,-0.2 0.713 88.8 113.7-110.1 -33.2 56.3 1.8 -19.4 92 92 A W < + 0 0 18 -4,-2.0 63,-0.2 1,-0.2 35,-0.1 -0.225 23.5 151.5 -50.5 123.5 58.1 -0.7 -21.7 93 93 A D - 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