==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUN-10 2XHN . COMPND 2 MOLECULE: RHAMNOGALACTURONASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR M.H.JENSEN,H.OTTEN,U.CHRISTENSEN,T.V.BORCHERT,L.L.H.CHRISTEN . 1016 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 356 35.0 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 . 108 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 2 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 6 12 2 12 8 10 0 4 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 4 2 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 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 1 A A 0 0 105 0, 0.0 15,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 147.1 14.0 49.5 24.3 2 2 A F + 0 0 25 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.471 360.0 80.2 -57.9 126.8 10.8 48.1 25.7 3 3 A G E S-A 14 0A 12 11,-1.8 11,-2.5 -2,-0.2 2,-0.4 -0.979 73.5 -70.1 162.2-174.1 8.1 49.9 23.9 4 4 A I E -A 13 0A 49 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.956 26.3-160.5-119.8 127.3 5.7 50.8 21.1 5 5 A T E -A 12 0A 95 7,-2.7 7,-2.6 -2,-0.4 2,-0.5 -0.941 17.1-153.1-108.4 124.7 6.7 52.4 17.8 6 6 A T E +A 11 0A 88 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.869 21.9 161.7-106.6 129.5 3.8 54.0 16.0 7 7 A S - 0 0 52 3,-2.5 3,-0.2 -2,-0.5 20,-0.1 -0.856 53.8 -98.3-128.7 172.6 3.5 54.5 12.2 8 8 A S S S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.881 122.8 31.7 -57.2 -37.5 0.5 55.2 10.0 9 9 A S S S+ 0 0 75 1,-0.1 18,-2.5 17,-0.1 19,-0.5 0.616 122.8 13.5 -98.8 -15.4 0.2 51.5 9.1 10 10 A A E - B 0 26A 8 16,-0.3 -3,-2.5 -3,-0.2 2,-0.5 -0.992 51.6-128.9-157.1 156.3 1.5 49.6 12.2 11 11 A Y E -AB 6 25A 26 14,-2.3 14,-2.9 -2,-0.3 2,-0.6 -0.978 26.2-155.0-105.4 130.2 2.5 49.3 15.8 12 12 A V E -AB 5 24A 42 -7,-2.6 -7,-2.7 -2,-0.5 2,-0.5 -0.942 9.5-157.2-105.5 123.6 5.9 47.7 16.3 13 13 A I E -AB 4 23A 0 10,-3.1 10,-2.2 -2,-0.6 2,-0.6 -0.881 5.9-164.9-108.3 123.7 6.2 46.1 19.7 14 14 A D E -AB 3 22A 36 -11,-2.5 -11,-1.8 -2,-0.5 8,-0.2 -0.943 5.6-169.4-112.0 115.9 9.6 45.5 21.2 15 15 A T - 0 0 0 6,-2.5 72,-2.9 -2,-0.6 73,-0.4 0.584 31.1-133.3 -79.7 -13.0 9.6 43.1 24.2 16 16 A N + 0 0 78 5,-0.4 -14,-0.1 -15,-0.2 6,-0.1 0.806 44.0 168.2 60.1 30.7 13.1 43.9 25.2 17 17 A A > - 0 0 8 4,-0.3 3,-2.0 71,-0.2 4,-0.2 -0.456 46.4-114.1 -70.8 148.4 13.8 40.2 25.5 18 18 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.876 117.4 39.0 -54.1 -45.2 17.5 39.2 25.8 19 19 A N T 3 S- 0 0 70 1,-0.1 19,-1.1 19,-0.0 20,-0.1 0.285 125.0-102.4 -91.4 13.9 17.7 37.4 22.4 20 20 A Q < - 0 0 62 -3,-2.0 18,-1.5 17,-0.2 2,-0.3 0.776 41.7-174.9 72.7 120.7 15.4 40.0 20.8 21 21 A L E + C 0 37A 0 16,-0.2 -6,-2.5 -4,-0.2 -5,-0.4 -0.866 15.1 156.2-144.1 112.6 11.8 39.7 20.0 22 22 A K E -BC 14 36A 65 14,-2.1 14,-3.0 -2,-0.3 2,-0.3 -0.955 14.1-175.2-126.2 148.4 10.0 42.5 18.1 23 23 A F E -BC 13 35A 2 -10,-2.2 -10,-3.1 -2,-0.3 2,-0.5 -0.992 19.0-131.3-146.6 157.0 6.8 42.1 16.1 24 24 A T E -BC 12 34A 25 10,-2.7 9,-2.2 -2,-0.3 10,-0.8 -0.919 14.5-164.9-113.0 127.6 4.7 44.3 13.8 25 25 A V E -BC 11 32A 0 -14,-2.9 -14,-2.3 -2,-0.5 2,-0.2 -0.949 23.8-124.4-111.2 122.8 0.9 44.5 14.2 26 26 A S E > -B 10 0A 14 5,-2.8 4,-1.8 -2,-0.5 -16,-0.3 -0.478 8.3-150.5 -64.6 131.7 -1.1 46.0 11.3 27 27 A R T 4 S+ 0 0 88 -18,-2.5 33,-0.5 -2,-0.2 -17,-0.2 0.584 96.8 47.9 -80.6 -8.9 -3.3 48.9 12.4 28 28 A S T 4 S+ 0 0 79 -19,-0.5 30,-2.2 31,-0.1 -1,-0.2 0.848 131.7 9.3 -93.8 -41.5 -5.7 48.1 9.6 29 29 A S T 4 S- 0 0 16 28,-0.3 26,-0.5 2,-0.1 27,-0.2 0.578 85.9-124.8-114.8 -15.2 -6.2 44.3 10.1 30 30 A a < + 0 0 9 -4,-1.8 -3,-0.1 1,-0.3 2,-0.1 0.502 59.4 150.0 67.1 11.1 -4.5 43.3 13.3 31 31 A D - 0 0 31 25,-0.1 -5,-2.8 -6,-0.1 2,-0.7 -0.414 54.2-123.9 -63.0 142.6 -2.4 40.8 11.4 32 32 A I E +CD 25 49A 2 17,-2.7 17,-2.2 -7,-0.2 -7,-0.2 -0.866 38.0 174.1 -82.4 116.7 1.1 40.1 12.7 33 33 A T E + 0 0 68 -9,-2.2 2,-0.3 -2,-0.7 -8,-0.1 0.518 58.0 22.7-109.4 -10.5 3.1 41.0 9.6 34 34 A S E -C 24 0A 22 -10,-0.8 -10,-2.7 15,-0.1 2,-0.4 -0.957 54.3-174.4-156.2 140.6 6.6 40.7 10.8 35 35 A I E -C 23 0A 0 -2,-0.3 7,-2.9 -12,-0.2 2,-0.6 -0.965 8.0-166.2-138.0 118.4 8.4 38.9 13.7 36 36 A I E +CE 22 41A 35 -14,-3.0 -14,-2.1 -2,-0.4 2,-0.4 -0.937 11.4 173.3-110.0 115.3 12.1 39.5 14.4 37 37 A H E > S-CE 21 40A 2 3,-2.5 3,-1.9 -2,-0.6 -16,-0.2 -0.991 72.6 -14.3-121.6 125.3 13.7 37.1 16.7 38 38 A Y T 3 S- 0 0 111 -18,-1.5 -18,-0.2 -19,-1.1 -1,-0.2 0.909 130.7 -51.6 48.6 48.0 17.5 37.2 17.3 39 39 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.487 116.9 112.4 76.7 4.9 17.9 39.5 14.2 40 40 A T E < -E 37 0A 45 -3,-1.9 -3,-2.5 2,-0.0 2,-0.4 -0.922 66.8-126.8-122.0 132.4 16.0 37.2 12.0 41 41 A E E +E 36 0A 74 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.580 29.6 170.8 -74.5 125.6 12.6 37.6 10.3 42 42 A L + 0 0 0 -7,-2.9 71,-2.9 -2,-0.4 2,-0.3 0.586 41.9 101.8-109.3 -17.3 10.3 34.6 11.1 43 43 A Q B S-F 112 0B 5 -8,-0.6 69,-0.2 69,-0.2 2,-0.1 -0.556 79.3-112.0 -78.3 132.8 6.9 35.7 9.7 44 44 A Y - 0 0 53 67,-2.7 3,-0.4 -2,-0.3 67,-0.1 -0.415 29.0-142.7 -56.2 131.7 5.7 34.3 6.4 45 45 A S S S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.736 86.9 49.7 -81.3 -22.5 5.8 37.4 4.1 46 46 A S S S+ 0 0 94 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.531 117.0 26.4 -96.8 -11.1 2.6 36.9 1.9 47 47 A Q S S- 0 0 75 -3,-0.4 -1,-0.2 64,-0.1 -3,-0.1 -0.978 80.8-119.9-154.7 139.1 0.0 36.2 4.6 48 48 A G - 0 0 4 -2,-0.3 2,-0.5 5,-0.1 -15,-0.2 -0.153 21.0-109.4 -80.0 169.6 -0.2 37.3 8.2 49 49 A S B +D 32 0A 1 -17,-2.2 -17,-2.7 61,-0.1 2,-0.3 -0.873 65.7 119.5 -94.7 133.9 -0.3 35.5 11.6 50 50 A H E -G 109 0B 8 59,-2.1 59,-2.7 -2,-0.5 2,-0.3 -0.975 65.1 -55.6-174.3 169.4 -3.8 36.0 12.9 51 51 A I E > S-G 108 0B 9 -2,-0.3 3,-2.9 57,-0.2 57,-0.3 -0.591 104.2 -27.6 -65.4 135.4 -7.1 34.7 14.1 52 52 A G T 3 S- 0 0 16 55,-2.6 -2,-0.2 -2,-0.3 3,-0.1 -0.359 126.5 -33.0 68.3-125.7 -8.8 32.5 11.5 53 53 A S T 3 S- 0 0 90 1,-0.5 -1,-0.3 -2,-0.2 -5,-0.1 -0.028 122.0 -55.5-113.3 22.4 -7.7 33.6 8.0 54 54 A G < - 0 0 27 -3,-2.9 -1,-0.5 1,-0.1 3,-0.1 -0.076 41.8-111.1 117.0 146.0 -7.4 37.2 9.3 55 55 A L - 0 0 39 -26,-0.5 2,-1.7 1,-0.2 -1,-0.1 0.695 42.5-151.1 -77.4 -19.6 -9.8 39.6 11.0 56 56 A G S S+ 0 0 52 -27,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.540 71.9 14.1 86.5 -73.3 -9.7 41.7 7.7 57 57 A S S S+ 0 0 97 -2,-1.7 2,-0.3 -28,-0.1 -28,-0.3 -0.997 74.5 164.4-134.1 137.0 -10.4 45.0 9.4 58 58 A A - 0 0 14 -30,-2.2 2,-0.7 -2,-0.4 17,-0.2 -0.984 41.5-112.7-147.6 155.4 -10.1 45.8 13.1 59 59 A T E -J 74 0C 102 15,-2.5 15,-2.6 -2,-0.3 2,-0.4 -0.843 43.8-161.9 -91.2 116.3 -9.9 48.8 15.4 60 60 A V E +J 73 0C 12 -2,-0.7 2,-0.3 -33,-0.5 13,-0.2 -0.868 18.0 169.4-113.0 131.5 -6.4 48.6 16.9 61 61 A T E -J 72 0C 78 11,-2.3 11,-2.5 -2,-0.4 2,-0.4 -0.944 12.9-160.9-132.2 158.6 -4.9 50.3 20.0 62 62 A A E +J 71 0C 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 13.6 172.9-142.5 130.7 -1.7 49.8 21.9 63 63 A T E -J 70 0C 63 7,-2.5 7,-2.9 -2,-0.4 2,-0.5 -0.990 23.6-137.8-142.2 145.2 -0.9 50.9 25.4 64 64 A Q E -J 69 0C 98 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.905 15.4-178.7-102.3 128.4 1.9 50.5 28.0 65 65 A S E > -J 68 0C 60 3,-3.0 3,-1.9 -2,-0.5 2,-0.2 -0.911 62.2 -66.3-122.8 100.1 1.1 49.8 31.6 66 66 A G T 3 S- 0 0 57 -2,-0.5 -1,-0.0 1,-0.3 20,-0.0 -0.373 121.9 -5.4 59.4-122.1 4.4 49.6 33.6 67 67 A D T 3 S+ 0 0 87 -2,-0.2 19,-2.7 -3,-0.1 2,-0.4 0.206 125.6 81.2 -90.7 17.4 6.3 46.5 32.4 68 68 A Y E < -JK 65 85C 61 -3,-1.9 -3,-3.0 17,-0.2 2,-0.4 -0.937 56.6-161.9-125.4 146.4 3.4 45.4 30.1 69 69 A I E -JK 64 84C 1 15,-2.1 15,-2.2 -2,-0.4 2,-0.5 -0.993 10.6-163.5-122.3 135.2 2.2 46.4 26.7 70 70 A K E -JK 63 83C 32 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.5 -0.971 5.6-166.6-120.1 127.7 -1.3 45.5 25.5 71 71 A V E -JK 62 82C 1 11,-3.2 11,-2.4 -2,-0.5 2,-0.4 -0.955 11.9-165.9-109.3 127.9 -2.5 45.5 21.9 72 72 A T E -JK 61 81C 16 -11,-2.5 -11,-2.3 -2,-0.5 2,-0.5 -0.965 8.3-170.6-119.2 131.7 -6.2 45.4 21.4 73 73 A a E -JK 60 80C 0 7,-2.6 7,-2.5 -2,-0.4 2,-0.4 -0.952 10.4-163.1-126.2 112.9 -8.0 44.6 18.2 74 74 A V E +JK 59 79C 54 -15,-2.6 -15,-2.5 -2,-0.5 2,-0.3 -0.810 16.1 162.6-104.3 129.1 -11.8 45.1 18.1 75 75 A T - 0 0 36 3,-2.0 3,-0.1 -2,-0.4 -17,-0.1 -0.788 56.6 -83.9-125.5 177.4 -14.2 43.7 15.5 76 76 A D S S+ 0 0 164 -2,-0.3 3,-0.1 1,-0.2 -18,-0.0 0.860 121.7 6.6 -52.0 -45.6 -18.0 43.3 15.8 77 77 A T S S+ 0 0 60 1,-0.1 21,-2.4 20,-0.0 22,-0.9 0.301 124.9 57.0-126.0 7.8 -18.0 40.0 17.6 78 78 A L E - L 0 97C 9 19,-0.2 -3,-2.0 -3,-0.1 2,-0.5 -0.990 51.3-168.1-146.1 131.9 -14.4 39.3 18.5 79 79 A T E -KL 74 96C 3 17,-2.6 17,-3.1 -2,-0.4 2,-0.4 -0.990 14.0-158.1-118.4 124.8 -11.7 41.2 20.4 80 80 A Q E -KL 73 95C 5 -7,-2.5 -7,-2.6 -2,-0.5 2,-0.4 -0.842 7.7-163.1-103.4 134.1 -8.1 40.0 20.0 81 81 A Y E -KL 72 94C 5 13,-2.3 13,-1.4 -2,-0.4 2,-0.4 -0.959 11.4-173.6-120.0 138.4 -5.5 40.8 22.6 82 82 A M E -KL 71 93C 4 -11,-2.4 -11,-3.2 -2,-0.4 2,-0.4 -1.000 11.8-178.4-124.3 129.5 -1.7 40.6 22.6 83 83 A V E -KL 70 92C 0 9,-2.9 9,-2.6 -2,-0.4 2,-0.3 -0.989 4.3-173.2-129.9 135.3 0.2 41.3 25.7 84 84 A V E -K 69 0C 2 -15,-2.2 -15,-2.1 -2,-0.4 2,-0.5 -0.922 13.7-144.9-125.1 152.4 4.0 41.3 26.3 85 85 A H E > -K 68 0C 45 5,-0.4 3,-2.4 -2,-0.3 5,-0.2 -0.978 36.7 -98.7-117.2 128.3 6.1 41.7 29.5 86 86 A N T 3 S+ 0 0 44 -19,-2.7 -70,-0.2 -2,-0.5 -71,-0.1 -0.179 107.6 15.0 -47.0 117.8 9.4 43.5 29.5 87 87 A G T 3 S+ 0 0 23 -72,-2.9 -1,-0.3 1,-0.2 -71,-0.1 0.226 100.6 105.3 102.8 -8.7 12.2 41.1 29.1 88 88 A D < - 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