==== 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 3NJX . 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) . 19160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 64.0 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 . 179 35.2 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 . 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 . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 2 6 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 0 106 0, 0.0 15,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 146.9 25.0 45.0 18.6 2 2 A F + 0 0 28 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.488 360.0 72.5 -61.8 128.3 26.4 41.7 17.2 3 3 A G E S-A 14 0A 12 11,-1.5 11,-2.2 -2,-0.2 2,-0.4 -0.959 76.4 -62.6 155.5-172.4 29.7 41.0 18.8 4 4 A I E -A 13 0A 49 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.934 27.0-158.4-116.8 129.2 31.9 40.0 21.8 5 5 A T E -A 12 0A 91 7,-2.7 7,-2.9 -2,-0.4 2,-0.5 -0.951 18.6-153.0-106.3 122.0 32.2 41.8 25.1 6 6 A T E +A 11 0A 89 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.825 23.2 159.7-102.8 128.8 35.4 40.9 26.9 7 7 A S - 0 0 54 3,-2.5 3,-0.1 -2,-0.5 20,-0.1 -0.860 54.0 -99.9-129.0 171.6 36.0 41.0 30.7 8 8 A S S S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.822 122.1 32.9 -60.6 -31.9 38.7 39.2 32.7 9 9 A S S S+ 0 0 74 1,-0.1 18,-2.8 18,-0.1 19,-0.6 0.658 123.4 17.0 -99.2 -18.8 36.3 36.5 33.8 10 10 A A E - B 0 26A 7 16,-0.3 -3,-2.5 17,-0.2 2,-0.5 -0.964 51.5-132.3-153.3 157.8 34.1 36.1 30.7 11 11 A Y E -AB 6 25A 26 14,-2.3 14,-3.0 -2,-0.3 2,-0.6 -0.990 25.6-154.0-109.1 129.5 33.1 36.6 27.1 12 12 A V E -AB 5 24A 40 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.5 -0.937 10.2-157.8-103.7 122.2 29.6 37.9 26.5 13 13 A I E -AB 4 23A 1 10,-3.1 10,-2.3 -2,-0.6 2,-0.6 -0.874 5.9-165.0-105.2 125.3 28.2 37.0 23.1 14 14 A D E -AB 3 22A 31 -11,-2.2 -11,-1.5 -2,-0.5 8,-0.2 -0.947 6.6-169.1-113.2 113.8 25.4 38.9 21.6 15 15 A T - 0 0 0 6,-2.5 72,-2.8 -2,-0.6 73,-0.4 0.627 31.5-133.8 -74.2 -15.8 23.7 37.2 18.6 16 16 A N + 0 0 76 5,-0.4 -14,-0.1 -15,-0.2 6,-0.1 0.806 43.8 168.6 60.6 30.9 21.7 40.4 17.7 17 17 A A > - 0 0 8 4,-0.3 3,-2.1 71,-0.2 4,-0.2 -0.469 46.3-115.5 -70.1 146.6 18.6 38.2 17.4 18 18 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.898 118.0 40.1 -51.7 -47.7 15.3 40.2 17.0 19 19 A N T 3 S- 0 0 71 1,-0.1 19,-1.3 19,-0.0 20,-0.1 0.214 125.2-104.6 -88.7 16.4 13.9 38.9 20.3 20 20 A Q < - 0 0 64 -3,-2.1 18,-1.5 17,-0.2 2,-0.3 0.815 39.8-171.9 66.0 121.0 17.4 39.3 21.9 21 21 A L E + C 0 37A 0 16,-0.2 -6,-2.5 -4,-0.2 -5,-0.4 -0.860 14.7 159.7-140.9 110.5 19.8 36.5 22.8 22 22 A K E -BC 14 36A 68 14,-2.3 14,-3.1 -2,-0.3 2,-0.3 -0.945 12.2-176.0-119.5 146.6 23.0 37.2 24.8 23 23 A F E -BC 13 35A 2 -10,-2.3 -10,-3.1 -2,-0.4 2,-0.5 -0.996 18.9-133.6-145.2 154.4 25.0 34.6 26.7 24 24 A T E -BC 12 34A 24 10,-2.6 9,-1.9 -2,-0.3 10,-0.8 -0.897 13.5-165.9-110.7 126.2 28.0 34.6 29.0 25 25 A V E -BC 11 32A 0 -14,-3.0 -14,-2.3 -2,-0.5 7,-0.2 -0.957 23.7-126.1-111.6 120.8 30.9 32.1 28.6 26 26 A S E > -B 10 0A 13 5,-2.7 4,-1.6 -2,-0.5 -16,-0.3 -0.447 7.7-150.3 -61.5 129.1 33.4 31.8 31.5 27 27 A R T 4 S+ 0 0 89 -18,-2.8 33,-0.6 -2,-0.2 -17,-0.2 0.593 96.3 49.1 -75.8 -11.8 37.0 32.3 30.4 28 28 A S T 4 S+ 0 0 76 -19,-0.6 30,-2.2 31,-0.1 -1,-0.2 0.869 131.4 7.9 -91.2 -43.3 38.1 29.9 33.2 29 29 A S T 4 S- 0 0 14 28,-0.3 26,-0.5 2,-0.1 27,-0.2 0.593 87.6-122.4-115.6 -18.4 35.7 26.9 32.8 30 30 A a < + 0 0 7 -4,-1.6 -3,-0.1 1,-0.3 2,-0.1 0.520 59.5 152.9 72.7 10.2 33.8 27.5 29.5 31 31 A D - 0 0 31 25,-0.1 -5,-2.7 19,-0.1 2,-0.7 -0.424 51.7-126.6 -62.6 138.9 30.6 27.3 31.5 32 32 A I E +CD 25 49A 1 17,-2.7 17,-2.4 -7,-0.2 -7,-0.2 -0.864 38.0 171.0 -82.1 116.5 27.6 29.1 30.1 33 33 A T E + 0 0 63 -9,-1.9 2,-0.3 -2,-0.7 -1,-0.1 0.537 57.8 25.5-110.9 -13.0 26.8 31.1 33.3 34 34 A S E -C 24 0A 22 -10,-0.8 -10,-2.6 15,-0.1 2,-0.4 -0.973 54.2-175.6-153.7 138.2 24.1 33.5 32.0 35 35 A I E -C 23 0A 0 -2,-0.3 7,-2.8 -12,-0.2 2,-0.6 -0.958 7.8-166.0-136.8 118.1 21.6 33.5 29.1 36 36 A I E +CE 22 41A 37 -14,-3.1 -14,-2.3 -2,-0.4 2,-0.5 -0.920 12.2 172.2-108.2 111.7 19.4 36.5 28.4 37 37 A H E > S-CE 21 40A 1 3,-2.5 3,-1.4 -2,-0.6 -16,-0.2 -0.988 73.6 -14.9-120.3 125.5 16.5 35.9 26.1 38 38 A Y T 3 S- 0 0 113 -18,-1.5 -1,-0.2 -19,-1.3 -18,-0.2 0.905 130.9 -51.3 47.6 48.8 13.9 38.7 25.5 39 39 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.586 116.4 115.8 71.3 13.7 15.2 40.5 28.6 40 40 A T E < -E 37 0A 42 -3,-1.4 -3,-2.5 0, 0.0 2,-0.4 -0.950 65.4-128.6-124.4 131.4 15.0 37.4 30.8 41 41 A E E +E 36 0A 73 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.625 29.5 170.5 -73.2 123.8 17.7 35.4 32.6 42 42 A L + 0 0 0 -7,-2.8 71,-3.0 -2,-0.4 2,-0.3 0.588 42.0 100.9-109.9 -17.1 17.2 31.7 31.7 43 43 A Q B S-F 112 0B 7 -8,-0.5 69,-0.2 69,-0.2 2,-0.2 -0.550 79.2-112.2 -79.6 133.0 20.4 30.1 33.1 44 44 A Y - 0 0 53 67,-2.7 3,-0.4 -2,-0.3 67,-0.1 -0.453 28.0-143.6 -57.0 128.0 20.3 28.3 36.5 45 45 A S S S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.741 88.3 50.1 -75.7 -26.3 22.4 30.5 38.8 46 46 A S S S+ 0 0 94 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.633 117.1 27.3 -91.5 -17.2 24.2 27.9 40.9 47 47 A Q S S- 0 0 76 -3,-0.4 -1,-0.2 64,-0.1 -3,-0.1 -0.990 79.6-122.0-151.2 136.6 25.5 25.6 38.2 48 48 A G - 0 0 6 -2,-0.3 2,-0.5 5,-0.1 -15,-0.2 -0.120 22.6-109.0 -77.3 169.0 26.5 26.3 34.6 49 49 A S B +D 32 0A 1 -17,-2.4 -17,-2.7 61,-0.1 2,-0.3 -0.902 65.6 121.8 -95.8 129.7 25.4 24.9 31.2 50 50 A H E -G 109 0B 7 59,-1.7 59,-2.7 -2,-0.5 2,-0.3 -0.958 64.2 -55.5-169.4 171.1 28.2 22.8 29.9 51 51 A I E > S-G 108 0B 11 -2,-0.3 3,-2.7 57,-0.2 57,-0.2 -0.574 103.6 -31.3 -65.6 133.1 29.7 19.5 28.6 52 52 A G T 3 S- 0 0 14 55,-2.5 -2,-0.2 1,-0.3 3,-0.1 -0.311 127.0 -29.6 61.2-123.3 29.2 16.7 31.2 53 53 A S T 3 S- 0 0 91 1,-0.5 -1,-0.3 -2,-0.1 -5,-0.1 0.053 122.4 -58.5-108.4 20.0 29.3 18.3 34.7 54 54 A G < - 0 0 28 -3,-2.7 -1,-0.5 1,-0.1 3,-0.1 -0.060 39.8-110.3 114.7 143.5 31.6 21.0 33.5 55 55 A L - 0 0 38 -26,-0.5 2,-1.8 1,-0.2 -25,-0.1 0.723 42.1-153.2 -73.5 -21.5 35.0 21.1 31.8 56 56 A G S S+ 0 0 51 -27,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.514 72.0 16.5 84.0 -71.2 36.4 22.6 35.1 57 57 A S S S+ 0 0 96 -2,-1.8 2,-0.3 -28,-0.1 -28,-0.3 -0.999 74.6 162.4-134.1 137.0 39.2 24.5 33.4 58 58 A A - 0 0 15 -30,-2.2 2,-0.7 -2,-0.4 17,-0.2 -0.985 42.5-112.0-148.9 154.6 39.6 25.3 29.7 59 59 A T E -J 74 0C 98 15,-2.5 15,-2.6 -2,-0.3 2,-0.5 -0.837 43.1-160.7 -88.7 114.2 41.5 27.6 27.3 60 60 A V E +J 73 0C 13 -2,-0.7 2,-0.3 -33,-0.6 13,-0.2 -0.853 17.5 170.8-110.0 126.5 38.9 30.0 25.9 61 61 A T E -J 72 0C 78 11,-2.3 11,-2.6 -2,-0.5 2,-0.4 -0.932 11.3-163.5-126.1 155.6 39.1 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 -0.988 13.7 169.0-142.2 128.0 36.4 34.2 21.0 63 63 A T E -J 70 0C 68 7,-2.6 7,-3.0 -2,-0.4 2,-0.4 -0.996 27.3-134.7-142.8 145.0 36.5 35.5 17.5 64 64 A Q E -J 69 0C 96 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.844 16.4-176.9 -95.6 133.9 34.3 37.2 14.9 65 65 A S E > -J 68 0C 58 3,-3.3 3,-1.3 -2,-0.4 2,-0.3 -0.848 61.7 -66.2-129.1 94.4 34.4 35.9 11.3 66 66 A G T 3 S- 0 0 59 -2,-0.4 -1,-0.1 1,-0.3 20,-0.0 -0.476 121.7 -6.5 63.4-122.2 32.0 38.1 9.2 67 67 A D T 3 S+ 0 0 86 -2,-0.3 19,-2.7 -3,-0.1 2,-0.3 0.189 126.7 83.0 -86.4 15.5 28.5 37.4 10.3 68 68 A Y E < -JK 65 85C 63 -3,-1.3 -3,-3.3 17,-0.2 2,-0.4 -0.915 57.9-159.8-125.0 146.8 29.7 34.6 12.6 69 69 A I E -JK 64 84C 1 15,-2.1 15,-2.3 -2,-0.3 2,-0.5 -0.996 10.7-163.9-122.6 131.6 31.2 34.4 16.1 70 70 A K E -JK 63 83C 32 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.5 -0.970 4.8-168.7-117.4 126.0 33.2 31.4 17.2 71 71 A V E -JK 62 82C 1 11,-3.5 11,-2.7 -2,-0.5 2,-0.4 -0.969 11.8-165.5-110.1 127.7 34.0 30.6 20.9 72 72 A T E -JK 61 81C 14 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.5 -0.951 9.1-169.5-119.6 131.7 36.5 27.8 21.3 73 73 A a E -JK 60 80C 0 7,-2.7 7,-2.5 -2,-0.4 2,-0.5 -0.946 10.6-162.7-125.1 111.7 37.2 25.9 24.6 74 74 A V E +JK 59 79C 54 -15,-2.6 -15,-2.5 -2,-0.5 2,-0.2 -0.811 16.7 161.8-103.3 125.4 40.3 23.7 24.6 75 75 A T - 0 0 36 3,-2.3 -17,-0.1 -2,-0.5 -2,-0.0 -0.745 56.2 -85.8-121.9 177.7 41.0 20.9 27.2 76 76 A D S S+ 0 0 166 -2,-0.2 3,-0.1 1,-0.2 -18,-0.0 0.859 121.5 6.3 -52.5 -45.7 43.4 18.0 27.0 77 77 A T S S+ 0 0 60 1,-0.1 21,-2.2 21,-0.0 22,-0.9 0.328 125.1 59.9-123.8 2.9 41.1 15.6 25.1 78 78 A L E - L 0 97C 10 19,-0.2 -3,-2.3 20,-0.1 2,-0.5 -0.993 50.8-169.2-140.1 131.5 38.0 17.7 24.3 79 79 A T E -KL 74 96C 3 17,-2.7 17,-2.9 -2,-0.4 2,-0.5 -0.986 13.7-159.7-116.1 121.3 37.4 20.9 22.4 80 80 A Q E -KL 73 95C 6 -7,-2.5 -7,-2.7 -2,-0.5 2,-0.4 -0.866 7.6-163.1 -99.9 131.4 34.0 22.6 22.8 81 81 A Y E -KL 72 94C 6 13,-2.3 13,-1.2 -2,-0.5 2,-0.4 -0.929 11.2-172.1-115.2 138.6 32.8 25.0 20.1 82 82 A M E -KL 71 93C 3 -11,-2.7 -11,-3.5 -2,-0.4 2,-0.4 -0.999 11.7-178.7-124.5 128.2 30.1 27.6 20.2 83 83 A V E -KL 70 92C 0 9,-3.1 9,-2.5 -2,-0.4 2,-0.3 -0.987 3.3-174.4-128.1 132.4 29.1 29.4 17.0 84 84 A V E -K 69 0C 1 -15,-2.3 -15,-2.1 -2,-0.4 2,-0.5 -0.934 14.1-144.5-124.0 152.9 26.5 32.1 16.5 85 85 A H E > -K 68 0C 42 5,-0.4 3,-2.5 -2,-0.3 5,-0.2 -0.975 35.8 -99.5-118.0 126.0 25.1 33.8 13.3 86 86 A N T 3 S+ 0 0 46 -19,-2.7 -70,-0.2 -2,-0.5 -71,-0.1 -0.137 108.3 14.4 -40.3 117.6 24.1 37.5 13.3 87 87 A G T 3 S+ 0 0 23 -72,-2.8 -1,-0.3 1,-0.2 -71,-0.1 0.246 100.6 107.8 100.8 -10.0 20.4 37.7 13.7 88 88 A D < - 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