==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUN-10 3NJV . 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 . 508 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 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 0.2 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 . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 4 3 5 3 5 4 5 0 2 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 2 1 3 1 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 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 0 104 0, 0.0 15,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 145.9 25.0 44.8 18.5 2 2 A F + 0 0 26 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.452 360.0 79.4 -54.9 128.6 26.3 41.6 17.2 3 3 A G E S-A 14 0A 13 11,-1.7 11,-2.5 -2,-0.2 2,-0.5 -0.939 74.5 -68.3 155.1-179.1 29.6 41.0 18.9 4 4 A I E -A 13 0A 48 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.922 26.7-161.7-113.4 127.8 31.9 39.9 21.8 5 5 A T E -A 12 0A 91 7,-2.4 7,-3.0 -2,-0.5 2,-0.4 -0.963 18.4-156.2-108.4 121.9 32.1 41.7 25.1 6 6 A T E +A 11 0A 84 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.815 21.1 162.5-104.6 135.8 35.3 40.8 27.0 7 7 A S - 0 0 58 3,-2.4 3,-0.1 -2,-0.4 20,-0.1 -0.866 53.8 -97.0-132.6 173.2 36.0 40.9 30.7 8 8 A S S S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.876 123.4 32.4 -57.7 -38.2 38.7 39.2 32.8 9 9 A S S S+ 0 0 75 1,-0.1 18,-2.3 17,-0.1 19,-0.6 0.615 123.2 16.8 -97.5 -15.6 36.4 36.4 33.8 10 10 A A E - B 0 26A 8 16,-0.3 -3,-2.4 17,-0.2 2,-0.5 -0.981 51.6-131.3-154.8 160.2 34.0 36.0 30.8 11 11 A Y E -AB 6 25A 23 14,-2.6 14,-3.4 -2,-0.3 2,-0.6 -0.988 22.4-154.4-109.5 129.1 33.0 36.5 27.1 12 12 A V E -AB 5 24A 38 -7,-3.0 -7,-2.4 -2,-0.5 2,-0.5 -0.936 12.1-157.5-102.2 114.0 29.5 37.9 26.6 13 13 A I E -AB 4 23A 1 10,-2.7 10,-2.1 -2,-0.6 2,-0.6 -0.808 4.3-163.2 -94.7 125.8 28.3 36.8 23.1 14 14 A D E -AB 3 22A 31 -11,-2.5 -11,-1.7 -2,-0.5 8,-0.2 -0.948 8.3-170.7-114.0 114.5 25.5 38.8 21.5 15 15 A T - 0 0 0 6,-2.4 72,-2.7 -2,-0.6 73,-0.4 0.606 31.8-134.2 -77.9 -14.4 23.7 37.1 18.6 16 16 A N + 0 0 75 5,-0.4 -14,-0.1 -15,-0.2 6,-0.1 0.828 42.4 169.3 59.2 35.5 21.8 40.3 17.6 17 17 A A > - 0 0 8 4,-0.3 3,-2.5 71,-0.2 -1,-0.2 -0.504 46.9-114.0 -74.9 145.2 18.6 38.2 17.3 18 18 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.866 119.1 39.2 -47.8 -44.8 15.3 40.2 16.9 19 19 A N T 3 S- 0 0 69 1,-0.0 19,-1.4 19,-0.0 20,-0.1 0.232 124.2-104.3 -93.5 15.4 14.0 39.0 20.3 20 20 A Q < - 0 0 68 -3,-2.5 18,-1.5 17,-0.2 2,-0.3 0.811 39.8-173.3 68.3 119.4 17.5 39.2 21.9 21 21 A L E + C 0 37A 0 16,-0.2 -6,-2.4 -4,-0.2 -5,-0.4 -0.859 14.9 157.5-142.0 110.5 19.8 36.4 22.7 22 22 A K E -BC 14 36A 65 14,-2.2 14,-2.8 -2,-0.3 2,-0.3 -0.953 13.9-173.9-120.9 146.7 23.0 37.1 24.7 23 23 A F E -BC 13 35A 2 -10,-2.1 -10,-2.7 -2,-0.4 2,-0.5 -0.997 19.1-131.4-144.1 149.0 24.9 34.5 26.7 24 24 A T E -BC 12 34A 26 10,-2.6 9,-2.1 -2,-0.3 10,-0.7 -0.861 16.3-164.6-104.6 124.4 27.9 34.5 29.0 25 25 A V E -BC 11 32A 0 -14,-3.4 -14,-2.6 -2,-0.5 7,-0.2 -0.942 21.4-127.0-109.3 119.8 30.8 32.1 28.6 26 26 A S E > -B 10 0A 13 5,-2.7 4,-1.4 -2,-0.5 -16,-0.3 -0.452 7.7-151.7 -61.0 127.9 33.3 31.7 31.5 27 27 A R T 4 S+ 0 0 89 -18,-2.3 33,-0.5 -2,-0.2 31,-0.2 0.587 95.2 47.5 -77.1 -10.7 36.9 32.1 30.3 28 28 A S T 4 S+ 0 0 77 -19,-0.6 30,-2.0 31,-0.1 -1,-0.2 0.822 131.5 9.9 -96.7 -37.3 38.1 29.8 33.1 29 29 A S T 4 S- 0 0 15 28,-0.3 26,-0.5 2,-0.1 27,-0.2 0.607 87.9-124.0-116.1 -18.8 35.7 26.8 32.8 30 30 A a < + 0 0 6 -4,-1.4 -3,-0.1 1,-0.3 2,-0.1 0.470 59.1 151.6 72.4 8.5 33.8 27.4 29.5 31 31 A D - 0 0 29 25,-0.1 -5,-2.7 -6,-0.1 2,-0.7 -0.381 52.2-125.7 -61.0 141.2 30.5 27.2 31.5 32 32 A I E +CD 25 49A 1 17,-2.9 17,-2.2 -7,-0.2 -7,-0.2 -0.860 37.2 172.0 -85.6 115.1 27.5 29.1 30.2 33 33 A T E + 0 0 64 -9,-2.1 2,-0.3 -2,-0.7 -1,-0.1 0.549 58.4 23.7-108.6 -11.2 26.7 31.1 33.3 34 34 A S E -C 24 0A 21 -10,-0.7 -10,-2.6 15,-0.1 2,-0.4 -0.966 54.1-173.6-156.8 137.3 24.0 33.4 32.0 35 35 A I E -C 23 0A 0 -2,-0.3 7,-2.9 -12,-0.2 2,-0.6 -0.945 7.7-166.7-135.8 113.5 21.5 33.4 29.1 36 36 A I E +CE 22 41A 33 -14,-2.8 -14,-2.2 -2,-0.4 2,-0.4 -0.904 12.5 170.9-101.9 116.2 19.4 36.5 28.4 37 37 A H E > S-CE 21 40A 2 3,-2.8 3,-1.7 -2,-0.6 -16,-0.2 -0.997 73.3 -12.2-125.2 127.5 16.5 35.9 26.0 38 38 A Y T 3 S- 0 0 113 -18,-1.5 -1,-0.2 -19,-1.4 -18,-0.2 0.922 131.1 -52.4 46.1 53.1 13.9 38.7 25.5 39 39 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.502 117.2 115.7 68.2 7.2 15.3 40.6 28.5 40 40 A T E < -E 37 0A 43 -3,-1.7 -3,-2.8 2,-0.0 2,-0.3 -0.918 65.8-128.8-119.7 130.5 15.0 37.5 30.7 41 41 A E E +E 36 0A 73 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.572 29.0 171.1 -68.5 127.5 17.6 35.4 32.4 42 42 A L + 0 0 0 -7,-2.9 71,-3.4 -2,-0.3 2,-0.3 0.619 41.9 100.8-112.0 -18.7 17.1 31.7 31.6 43 43 A Q B S-F 112 0B 8 -8,-0.5 69,-0.2 69,-0.2 2,-0.2 -0.512 76.8-115.1 -82.3 132.6 20.3 30.1 33.0 44 44 A Y - 0 0 51 67,-3.0 67,-0.1 -2,-0.3 -1,-0.1 -0.443 25.6-147.5 -56.8 129.4 20.3 28.2 36.4 45 45 A S S S+ 0 0 117 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.647 86.8 54.0 -85.5 -16.4 22.6 30.3 38.6 46 46 A S S S+ 0 0 90 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.833 116.7 26.3 -87.3 -36.5 24.1 27.6 40.8 47 47 A Q S S- 0 0 82 64,-0.1 -1,-0.2 -15,-0.0 64,-0.1 -0.980 80.5-126.0-129.0 143.2 25.5 25.3 38.0 48 48 A G - 0 0 5 -2,-0.4 2,-0.5 5,-0.1 -15,-0.2 -0.213 23.9-107.8 -77.0 168.1 26.5 26.3 34.4 49 49 A S B +D 32 0A 1 -17,-2.2 -17,-2.9 61,-0.1 2,-0.3 -0.900 67.2 119.5 -95.4 132.2 25.3 24.8 31.1 50 50 A H E -G 109 0B 8 59,-1.5 59,-2.7 -2,-0.5 2,-0.3 -0.921 66.3 -51.2-170.3 176.3 28.2 22.8 29.8 51 51 A I E > S-G 108 0B 10 -2,-0.3 3,-2.5 57,-0.2 57,-0.2 -0.642 104.1 -32.6 -70.1 133.1 29.6 19.5 28.6 52 52 A G T 3 S- 0 0 13 55,-2.7 -2,-0.2 -2,-0.3 3,-0.1 -0.313 126.1 -29.2 62.5-117.5 28.9 16.8 31.3 53 53 A S T 3 S- 0 0 91 1,-0.6 -1,-0.3 -2,-0.2 -5,-0.1 0.168 123.2 -53.6-112.9 11.8 29.1 18.3 34.7 54 54 A G < - 0 0 31 -3,-2.5 -1,-0.6 1,-0.1 3,-0.1 -0.315 37.6-117.0 126.5 145.8 31.5 20.9 33.6 55 55 A L - 0 0 35 -26,-0.5 2,-1.8 1,-0.1 -25,-0.1 0.696 42.6-154.1 -80.3 -21.9 34.8 21.0 31.8 56 56 A G + 0 0 51 -27,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.476 69.6 17.7 84.9 -68.2 36.2 22.6 35.0 57 57 A S S S+ 0 0 95 -2,-1.8 2,-0.3 -28,-0.2 -28,-0.3 -0.993 74.1 161.5-134.3 143.4 39.1 24.4 33.4 58 58 A A - 0 0 17 -30,-2.0 2,-0.7 -2,-0.3 17,-0.2 -0.983 43.0-110.8-155.0 156.5 39.5 25.2 29.7 59 59 A T E -J 74 0C 96 15,-2.3 15,-2.6 -2,-0.3 2,-0.5 -0.872 43.9-162.5 -90.8 117.3 41.4 27.5 27.3 60 60 A V E +J 73 0C 14 -2,-0.7 2,-0.3 -33,-0.5 13,-0.2 -0.883 17.4 170.1-114.8 129.1 38.8 29.9 25.9 61 61 A T E -J 72 0C 76 11,-2.2 11,-2.5 -2,-0.5 2,-0.4 -0.945 11.9-163.0-128.3 152.0 39.0 32.1 22.8 62 62 A A E +J 71 0C 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 14.7 168.4-133.4 137.1 36.3 34.1 21.0 63 63 A T E -J 70 0C 64 7,-2.1 7,-2.8 -2,-0.4 2,-0.5 -0.996 29.2-131.2-145.4 150.8 36.5 35.5 17.5 64 64 A Q E -J 69 0C 92 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.888 16.7-175.8 -97.5 131.9 34.2 37.1 14.9 65 65 A S E > -J 68 0C 57 3,-3.7 3,-1.3 -2,-0.5 2,-0.4 -0.851 63.6 -67.5-123.3 92.4 34.4 35.7 11.3 66 66 A G T 3 S- 0 0 57 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.504 121.3 -6.1 66.5-117.6 32.1 37.9 9.3 67 67 A D T 3 S+ 0 0 88 -2,-0.4 19,-2.7 -3,-0.1 2,-0.4 0.129 125.6 84.7 -93.3 16.3 28.5 37.3 10.5 68 68 A Y E < -JK 65 85C 58 -3,-1.3 -3,-3.7 17,-0.2 2,-0.4 -0.952 58.0-161.3-122.8 139.8 29.7 34.5 12.7 69 69 A I E -JK 64 84C 1 15,-1.9 15,-2.3 -2,-0.4 2,-0.5 -0.992 13.3-164.0-115.5 129.2 31.1 34.4 16.3 70 70 A K E -JK 63 83C 30 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.5 -0.959 6.5-166.4-115.9 126.3 33.0 31.3 17.3 71 71 A V E -JK 62 82C 1 11,-3.6 11,-2.5 -2,-0.5 2,-0.4 -0.965 10.9-166.7-110.7 126.9 33.9 30.4 20.9 72 72 A T E -JK 61 81C 15 -11,-2.5 -11,-2.2 -2,-0.5 2,-0.5 -0.942 7.9-170.7-117.9 132.1 36.5 27.7 21.4 73 73 A a E -JK 60 80C 0 7,-2.5 7,-2.5 -2,-0.4 2,-0.5 -0.961 10.1-161.7-127.0 114.9 37.2 25.8 24.6 74 74 A V E +JK 59 79C 54 -15,-2.6 -15,-2.3 -2,-0.5 2,-0.3 -0.820 16.9 163.0-104.7 127.9 40.2 23.5 24.7 75 75 A T - 0 0 34 3,-2.0 -17,-0.1 -2,-0.5 -2,-0.0 -0.745 56.7 -85.9-121.3 178.5 40.9 20.8 27.3 76 76 A D S S+ 0 0 170 -2,-0.3 3,-0.1 1,-0.2 -18,-0.0 0.892 122.1 7.0 -52.4 -49.2 43.4 17.9 26.9 77 77 A T S S+ 0 0 57 1,-0.1 21,-2.3 21,-0.1 22,-0.9 0.304 124.6 61.5-119.4 5.2 41.0 15.5 25.1 78 78 A L E - L 0 97C 8 19,-0.2 -3,-2.0 20,-0.1 2,-0.5 -0.976 50.3-169.4-143.0 125.2 38.0 17.7 24.4 79 79 A T E -KL 74 96C 4 17,-3.0 17,-2.8 -2,-0.4 2,-0.5 -0.973 13.7-159.0-108.7 123.6 37.3 20.9 22.4 80 80 A Q E -KL 73 95C 6 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.4 -0.884 9.3-163.8 -98.0 131.2 33.9 22.5 22.9 81 81 A Y E -KL 72 94C 5 13,-2.3 13,-1.3 -2,-0.5 2,-0.4 -0.935 12.1-175.0-116.4 138.9 32.7 24.9 20.2 82 82 A M E -KL 71 93C 3 -11,-2.5 -11,-3.6 -2,-0.4 2,-0.4 -0.999 10.7-180.0-127.6 130.7 29.9 27.5 20.3 83 83 A V E -KL 70 92C 0 9,-2.9 9,-2.5 -2,-0.4 2,-0.3 -0.995 4.7-172.7-132.0 132.5 29.0 29.4 17.1 84 84 A V E -K 69 0C 1 -15,-2.3 -15,-1.9 -2,-0.4 2,-0.4 -0.921 13.7-143.9-121.3 154.0 26.4 32.0 16.5 85 85 A H E > -K 68 0C 45 5,-0.4 3,-2.2 -2,-0.3 5,-0.3 -0.960 36.2 -97.8-115.5 134.0 25.1 33.7 13.3 86 86 A N T 3 S+ 0 0 50 -19,-2.7 -70,-0.2 -2,-0.4 -71,-0.1 -0.246 108.7 14.5 -48.7 122.9 24.1 37.4 13.3 87 87 A G T 3 S+ 0 0 25 -72,-2.7 -1,-0.3 1,-0.2 -71,-0.1 0.269 101.3 109.7 96.0 -10.6 20.3 37.7 13.6 88 88 A D < - 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