==== 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 26-FEB-97 1RMG . COMPND 2 MOLECULE: RHAMNOGALACTURONASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR T.N.PETERSEN,S.KAUPPINEN,S.LARSEN . 422 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 194 46.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.6 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 . 1 0.2 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 . 37 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 8 1 0 0 0 1 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL 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 1 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 1 A Q 0 0 88 0, 0.0 184,-0.2 0, 0.0 209,-0.1 0.000 360.0 360.0 360.0 143.5 43.4 74.0 105.0 2 2 A L - 0 0 54 1,-0.1 207,-0.1 183,-0.1 206,-0.1 -0.246 360.0-159.2 -63.0 150.0 40.6 72.8 102.7 3 3 A S S S- 0 0 79 205,-0.3 2,-0.3 204,-0.1 -1,-0.1 0.447 70.3 -23.7-106.5 -6.5 40.9 69.4 100.9 4 4 A G S S- 0 0 40 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.927 94.8 -32.1-175.5-163.2 38.4 70.2 98.2 5 5 A S - 0 0 102 -2,-0.3 2,-0.3 -3,-0.1 132,-0.1 -0.415 51.5-162.7 -76.3 152.1 35.4 72.3 97.1 6 6 A V + 0 0 30 -2,-0.1 155,-0.3 131,-0.1 154,-0.1 -0.814 40.9 55.0-127.9 165.0 32.9 73.4 99.7 7 7 A G S S- 0 0 5 153,-1.4 132,-0.2 131,-0.6 93,-0.1 -0.287 90.1 -31.9 102.0 172.4 29.3 74.8 99.4 8 8 A P - 0 0 37 0, 0.0 130,-0.2 0, 0.0 129,-0.1 -0.229 46.2-136.1 -65.1 157.4 26.1 73.6 97.9 9 9 A L S S+ 0 0 103 128,-0.4 2,-0.3 1,-0.1 129,-0.1 0.779 88.4 32.2 -82.9 -32.2 26.2 71.5 94.7 10 10 A T S S- 0 0 57 64,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.935 91.7-103.1-127.4 150.4 23.4 73.3 92.9 11 11 A S > - 0 0 54 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.310 22.4-119.7 -73.3 158.0 22.4 77.0 93.1 12 12 A A H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.812 114.4 57.4 -64.1 -32.8 19.4 78.4 95.0 13 13 A S H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 106.2 49.3 -68.0 -37.2 18.0 79.8 91.8 14 14 A T H > S+ 0 0 75 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.929 113.6 45.6 -66.5 -43.7 17.9 76.3 90.3 15 15 A K H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 37,-0.4 0.924 112.5 51.2 -64.9 -42.0 16.2 74.9 93.4 16 16 A G H < S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 108.6 51.2 -62.4 -38.7 13.7 77.7 93.4 17 17 A A H < S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.4 52.9 -67.2 -36.5 12.9 77.1 89.8 18 18 A T H < S- 0 0 95 -4,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.968 135.4 -30.1 -62.7 -52.3 12.3 73.5 90.6 19 19 A K < - 0 0 92 -4,-2.6 33,-2.7 31,-0.3 2,-0.5 -0.853 53.3-157.1-171.5 131.1 9.9 74.3 93.3 20 20 A T E -a 52 0A 71 -2,-0.3 2,-0.8 31,-0.2 33,-0.2 -0.963 6.0-161.8-116.2 123.5 9.5 77.2 95.8 21 21 A a E -a 53 0A 0 31,-3.1 33,-2.4 -2,-0.5 2,-0.6 -0.874 8.9-162.3-106.9 95.4 7.5 76.5 99.0 22 22 A N E > -a 54 0A 41 -2,-0.8 3,-2.0 31,-0.2 4,-0.3 -0.703 15.4-141.3 -77.3 121.1 6.5 79.9 100.3 23 23 A I G > >S+ 0 0 0 31,-2.4 5,-2.4 -2,-0.6 3,-1.4 0.728 98.7 69.0 -58.3 -23.9 5.6 79.5 104.0 24 24 A L G > 5S+ 0 0 81 30,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.839 98.0 54.3 -63.0 -28.1 2.7 81.9 103.7 25 25 A S G < 5S+ 0 0 96 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.593 104.9 54.7 -78.8 -11.5 1.2 79.2 101.5 26 26 A Y G < 5S- 0 0 76 -3,-1.4 -1,-0.2 -4,-0.3 16,-0.2 0.012 134.1 -78.6-111.8 27.7 1.6 76.7 104.3 27 27 A G T < 5S+ 0 0 55 -3,-0.9 -3,-0.2 1,-0.3 2,-0.2 0.529 80.0 148.3 93.5 6.4 -0.2 78.6 107.0 28 28 A A < - 0 0 8 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.524 26.0-166.7 -76.7 142.7 2.4 81.2 108.0 29 29 A V - 0 0 66 5,-0.3 2,-1.8 -2,-0.2 4,-0.4 -0.993 18.8-144.4-130.6 122.7 1.2 84.6 109.2 30 30 A A + 0 0 49 -2,-0.4 29,-0.4 1,-0.2 30,-0.1 -0.351 67.0 115.1 -81.4 56.2 3.7 87.5 109.5 31 31 A D S S- 0 0 70 -2,-1.8 -1,-0.2 3,-0.2 29,-0.2 0.213 82.9-121.3-109.3 11.3 1.8 88.9 112.5 32 32 A N S S+ 0 0 75 27,-2.3 28,-0.2 -3,-0.3 -2,-0.1 0.837 102.4 63.5 50.3 40.7 4.7 88.4 115.0 33 33 A S S S+ 0 0 90 -4,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.449 72.2 84.3-154.8 -48.3 2.2 86.2 117.0 34 34 A T S S- 0 0 57 -5,-0.3 27,-0.7 1,-0.1 -5,-0.3 -0.624 89.3-104.4 -75.5 122.3 1.1 83.0 115.1 35 35 A D B -b 61 0A 38 -2,-0.4 4,-0.4 1,-0.2 27,-0.2 -0.226 30.5-168.0 -49.3 118.5 3.7 80.2 115.5 36 36 A V > + 0 0 0 25,-2.8 4,-2.1 1,-0.2 5,-0.2 0.622 67.2 91.5 -87.9 -10.7 5.6 79.9 112.2 37 37 A G H > S+ 0 0 1 24,-0.3 4,-2.3 1,-0.2 3,-0.2 0.913 84.7 47.4 -48.4 -57.7 7.2 76.6 113.2 38 38 A P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.866 110.5 52.9 -53.9 -42.2 4.5 74.3 111.7 39 39 A A H > S+ 0 0 3 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.889 108.3 49.1 -62.3 -46.6 4.5 76.3 108.4 40 40 A I H X S+ 0 0 11 -4,-2.1 4,-2.6 -3,-0.2 -1,-0.2 0.933 112.1 50.7 -59.9 -43.2 8.3 75.9 108.0 41 41 A T H X S+ 0 0 65 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.905 112.8 44.1 -61.7 -43.9 7.9 72.1 108.7 42 42 A S H X S+ 0 0 58 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.860 113.6 51.2 -68.5 -36.1 5.1 71.7 106.1 43 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.902 110.4 49.8 -67.2 -39.4 7.1 73.8 103.6 44 44 A W H X S+ 0 0 10 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.945 105.8 55.7 -63.4 -48.0 10.2 71.6 104.2 45 45 A A H < S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.5 40.6 -52.1 -38.6 8.2 68.4 103.7 46 46 A A H < S+ 0 0 39 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.812 127.6 30.5 -82.0 -30.8 7.1 69.7 100.3 47 47 A a H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.1 -2,-0.2 0.492 83.4 104.0-109.2 -3.2 10.4 71.2 99.2 48 48 A K T < S+ 0 0 67 -4,-3.1 24,-3.3 1,-0.2 2,-0.6 0.636 78.5 59.2 -56.4 -17.1 13.1 69.0 101.0 49 49 A S B 4 S-c 72 0A 88 22,-0.2 24,-0.2 -3,-0.2 -1,-0.2 -0.825 135.6 -30.9-117.8 92.4 13.9 67.2 97.7 50 50 A G T 4 S+ 0 0 17 22,-2.5 -31,-0.3 -2,-0.6 -32,-0.3 0.294 111.9 101.4 88.1 -7.7 15.1 69.7 95.1 51 51 A G < - 0 0 1 -4,-2.0 24,-0.9 21,-0.2 2,-0.4 -0.293 65.1-116.5-104.1-171.2 13.0 72.7 96.2 52 52 A L E -ad 20 75A 9 -33,-2.7 -31,-3.1 -37,-0.4 2,-0.6 -0.983 12.6-145.1-131.7 124.1 13.5 76.0 98.1 53 53 A V E -ad 21 76A 0 22,-3.0 24,-3.1 -2,-0.4 2,-0.5 -0.784 25.3-159.4 -86.5 123.6 11.7 76.9 101.4 54 54 A Y E -ad 22 77A 65 -33,-2.4 -31,-2.4 -2,-0.6 -30,-0.3 -0.912 18.0-172.2-116.4 127.9 11.0 80.7 101.2 55 55 A I E - d 0 78A 4 22,-2.9 24,-2.6 -2,-0.5 25,-0.2 -0.928 21.9-149.1-116.9 98.8 10.4 83.0 104.2 56 56 A P - 0 0 16 0, 0.0 24,-0.1 0, 0.0 -2,-0.0 -0.202 36.0 -72.4 -65.7 161.4 9.4 86.4 102.9 57 57 A S S S+ 0 0 101 23,-0.1 23,-0.3 22,-0.1 2,-0.3 -0.232 87.0 87.6 -55.0 137.3 10.1 89.7 104.7 58 58 A G S S- 0 0 20 21,-0.2 23,-2.5 -3,-0.1 2,-0.5 -0.905 77.8 -72.5 154.7 179.9 8.0 90.2 107.9 59 59 A N E - e 0 81A 69 -29,-0.4 -27,-2.3 -2,-0.3 2,-0.4 -0.931 45.9-177.9-111.5 126.0 8.0 89.4 111.6 60 60 A Y E - e 0 82A 0 21,-2.5 23,-3.0 -2,-0.5 2,-0.4 -0.943 20.8-138.0-126.7 145.0 7.3 85.8 112.7 61 61 A A E -be 35 83A 0 -27,-0.7 -25,-2.8 -2,-0.4 2,-0.7 -0.842 10.7-153.9-100.2 134.0 7.0 84.2 116.1 62 62 A L E + e 0 84A 2 21,-2.8 23,-2.5 -2,-0.4 24,-2.1 -0.939 27.3 158.6-110.3 105.4 8.6 80.8 116.6 63 63 A N + 0 0 80 -2,-0.7 2,-0.4 22,-0.3 25,-0.3 0.710 65.1 37.8 -99.0 -27.4 6.8 79.0 119.4 64 64 A T S S- 0 0 68 22,-0.1 -1,-0.2 23,-0.1 -27,-0.1 -0.980 88.7-112.8-128.2 138.1 7.7 75.4 118.6 65 65 A W - 0 0 45 -2,-0.4 2,-0.4 24,-0.1 28,-0.2 -0.255 25.5-137.2 -66.9 153.7 11.1 74.3 117.4 66 66 A V E -f 93 0A 2 26,-2.8 28,-1.6 25,-0.2 2,-0.5 -0.921 12.3-167.3-116.4 143.0 11.6 72.8 114.0 67 67 A T E -f 94 0A 96 -2,-0.4 2,-0.6 26,-0.2 28,-0.2 -0.951 10.4-168.6-128.7 105.4 13.7 69.8 113.1 68 68 A L E +f 95 0A 2 26,-3.2 28,-2.4 -2,-0.5 2,-0.3 -0.882 17.5 165.7-102.2 118.3 14.3 69.6 109.3 69 69 A T E +f 96 0A 64 -2,-0.6 28,-0.2 26,-0.2 29,-0.1 -0.822 42.6 30.9-133.2 162.7 15.8 66.3 108.2 70 70 A G S S+ 0 0 34 26,-0.9 28,-0.2 27,-0.6 -1,-0.1 0.728 70.4 160.1 66.6 29.0 16.4 64.2 105.1 71 71 A G - 0 0 4 25,-0.5 28,-1.7 -3,-0.2 2,-0.3 -0.441 19.9-172.1 -81.9 158.3 16.8 67.0 102.6 72 72 A S E S-cg 49 99A 60 -24,-3.3 -22,-2.5 26,-0.2 28,-0.2 -0.938 71.2 -10.0-151.3 119.6 18.5 66.7 99.3 73 73 A A E S+ 0 0 25 26,-2.2 2,-0.2 -2,-0.3 28,-0.2 0.938 101.0 134.2 55.0 55.8 19.3 69.6 97.0 74 74 A T E - g 0 101A 0 26,-1.4 28,-0.8 25,-0.4 2,-0.3 -0.731 35.5-166.9-129.5 171.0 17.3 72.0 99.1 75 75 A A E -dg 52 102A 0 -24,-0.9 -22,-3.0 -2,-0.2 2,-0.5 -0.986 15.7-140.4-157.5 158.2 17.6 75.5 100.5 76 76 A I E -dg 53 103A 10 26,-2.9 28,-2.2 -2,-0.3 2,-0.7 -0.989 11.6-160.7-128.9 119.8 16.0 77.9 103.0 77 77 A Q E -dg 54 104A 32 -24,-3.1 -22,-2.9 -2,-0.5 2,-0.9 -0.909 6.7-168.3-103.0 104.5 15.7 81.6 102.1 78 78 A L E +d 55 0A 9 26,-2.9 32,-0.3 -2,-0.7 29,-0.2 -0.831 23.8 153.6 -96.9 96.7 15.2 83.6 105.3 79 79 A D + 0 0 12 -24,-2.6 2,-0.2 -2,-0.9 -21,-0.2 0.314 59.7 54.7-104.7 6.9 14.2 87.1 104.3 80 80 A G S S- 0 0 3 -23,-0.3 31,-1.5 -25,-0.2 2,-0.4 -0.541 89.0 -94.8-123.4-168.9 12.3 88.0 107.4 81 81 A I E -eh 59 111A 37 -23,-2.5 -21,-2.5 29,-0.2 2,-0.5 -0.960 25.5-152.3-120.1 130.6 13.0 88.0 111.2 82 82 A I E -eh 60 112A 3 29,-2.3 31,-3.3 -2,-0.4 2,-0.4 -0.873 10.3-161.1-102.0 128.4 12.1 85.1 113.6 83 83 A Y E -eh 61 113A 45 -23,-3.0 -21,-2.8 -2,-0.5 2,-0.4 -0.918 20.8-120.7-111.5 134.5 11.4 86.0 117.2 84 84 A R E +e 62 0A 17 29,-2.3 -21,-0.2 -2,-0.4 -23,-0.0 -0.566 47.2 148.5 -76.3 124.2 11.6 83.4 119.9 85 85 A T + 0 0 60 -23,-2.5 -22,-0.3 -2,-0.4 -1,-0.2 0.455 49.5 94.7-121.8 -21.7 8.3 83.0 121.8 86 86 A G - 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