==== 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 LYASE 03-JAN-03 1NKG . COMPND 2 MOLECULE: RHAMNOGALACTURONASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR M.A.MCDONOUGH,R.KADIRVELRAJ,P.HARRIS,J.C.POULSEN,S.LARSEN . 508 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19082.0 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 . 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 . 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 . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.8 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 0.000 360.0 360.0 360.0 156.0 13.6 -6.5 18.5 2 2 A F + 0 0 25 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.483 360.0 83.2 -63.1 127.5 12.2 -3.2 17.1 3 3 A G E S-A 14 0A 14 11,-1.8 11,-2.6 -2,-0.2 2,-0.4 -0.979 73.1 -75.1 164.3-177.7 8.9 -2.6 18.9 4 4 A I E -A 13 0A 49 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.959 26.8-159.5-117.9 128.2 6.7 -1.4 21.8 5 5 A T E -A 12 0A 91 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.952 16.9-152.8-109.5 120.3 6.3 -3.3 25.1 6 6 A T E +A 11 0A 87 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.804 22.0 163.1-101.2 131.9 3.1 -2.4 26.9 7 7 A S - 0 0 52 3,-2.4 3,-0.2 -2,-0.4 20,-0.1 -0.868 53.7 -98.7-133.1 167.9 2.6 -2.5 30.7 8 8 A S S S+ 0 0 116 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.859 122.6 33.8 -59.3 -31.1 -0.1 -0.9 32.7 9 9 A S S S+ 0 0 69 1,-0.1 18,-2.6 17,-0.1 19,-0.5 0.631 122.5 9.9-100.9 -14.3 2.2 1.9 33.7 10 10 A A E - B 0 26A 6 16,-0.3 -3,-2.4 -3,-0.2 2,-0.5 -0.980 52.6-124.7-159.5 166.5 4.4 2.4 30.6 11 11 A Y E -AB 6 25A 26 14,-2.3 14,-3.1 -2,-0.3 2,-0.6 -0.984 26.0-154.2-115.1 128.9 5.4 1.9 27.0 12 12 A V E -AB 5 24A 40 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.5 -0.945 10.4-156.8-106.4 120.6 8.9 0.6 26.5 13 13 A I E -AB 4 23A 1 10,-2.9 10,-2.2 -2,-0.6 2,-0.6 -0.857 5.9-165.2-101.5 123.3 10.3 1.6 23.1 14 14 A D E -AB 3 22A 33 -11,-2.6 -11,-1.8 -2,-0.5 8,-0.2 -0.943 5.5-169.0-111.8 114.4 13.1 -0.5 21.6 15 15 A T - 0 0 0 6,-2.4 72,-3.1 -2,-0.6 73,-0.3 0.593 30.3-133.9 -76.2 -13.3 14.8 1.2 18.6 16 16 A N + 0 0 76 5,-0.4 -14,-0.1 -15,-0.2 6,-0.1 0.831 44.3 167.6 60.5 32.1 16.8 -1.9 17.6 17 17 A A > - 0 0 8 4,-0.3 3,-2.0 71,-0.2 -1,-0.2 -0.513 47.4-112.5 -75.1 149.1 19.9 0.3 17.3 18 18 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.884 117.8 37.8 -48.9 -49.4 23.2 -1.6 17.0 19 19 A N T 3 S- 0 0 70 1,-0.1 19,-1.2 19,-0.0 20,-0.1 0.292 124.3-102.6 -91.5 14.2 24.6 -0.4 20.3 20 20 A Q < - 0 0 66 -3,-2.0 18,-1.6 17,-0.2 2,-0.3 0.781 41.9-176.2 70.2 121.3 21.2 -0.7 22.0 21 21 A L E + C 0 37A 0 16,-0.2 -6,-2.4 -4,-0.2 -5,-0.4 -0.877 14.7 156.0-146.7 112.9 18.8 2.1 22.8 22 22 A K E -BC 14 36A 62 14,-2.1 14,-2.8 -2,-0.3 2,-0.3 -0.949 15.0-173.9-130.4 148.9 15.5 1.4 24.6 23 23 A F E -BC 13 35A 2 -10,-2.2 -10,-2.9 -2,-0.3 2,-0.5 -0.995 18.7-130.5-147.1 154.5 13.6 3.9 26.7 24 24 A T E -BC 12 34A 25 10,-2.7 9,-2.4 -2,-0.3 10,-0.7 -0.906 14.7-164.7-109.8 128.3 10.5 3.9 29.0 25 25 A V E -BC 11 32A 0 -14,-3.1 -14,-2.3 -2,-0.5 7,-0.2 -0.944 23.4-124.8-111.9 123.6 7.7 6.4 28.6 26 26 A S E > -B 10 0A 21 5,-2.7 4,-1.9 -2,-0.5 -16,-0.3 -0.473 8.6-150.3 -65.3 129.8 5.2 6.8 31.5 27 27 A R T 4 S+ 0 0 88 -18,-2.6 33,-0.6 -2,-0.2 -17,-0.2 0.570 96.4 48.4 -77.4 -7.4 1.6 6.2 30.4 28 28 A S T 4 S+ 0 0 81 -19,-0.5 30,-2.4 31,-0.1 -1,-0.2 0.849 131.5 9.2 -96.3 -42.5 0.5 8.6 33.1 29 29 A S T 4 S- 0 0 16 28,-0.3 26,-0.5 2,-0.1 27,-0.2 0.589 86.3-124.9-113.8 -15.7 2.8 11.6 32.7 30 30 A a < + 0 0 7 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.515 58.9 150.1 73.1 8.6 4.7 11.0 29.4 31 31 A D - 0 0 30 25,-0.1 -5,-2.7 -6,-0.1 2,-0.7 -0.419 53.8-124.5 -64.9 146.5 8.0 11.3 31.4 32 32 A I E +CD 25 49A 1 17,-2.5 17,-2.0 -7,-0.2 -7,-0.2 -0.872 37.5 175.0 -88.0 119.7 10.9 9.3 30.0 33 33 A T E + 0 0 67 -9,-2.4 2,-0.3 -2,-0.7 -1,-0.1 0.549 57.5 23.2-108.2 -9.9 11.7 7.4 33.2 34 34 A S E -C 24 0A 22 -10,-0.7 -10,-2.7 15,-0.1 2,-0.4 -0.960 55.0-173.3-156.2 140.1 14.5 5.0 32.0 35 35 A I E -C 23 0A 0 -2,-0.3 7,-2.9 -12,-0.2 2,-0.6 -0.966 7.5-166.8-138.6 118.0 17.0 5.0 29.1 36 36 A I E +CE 22 41A 35 -14,-2.8 -14,-2.1 -2,-0.4 2,-0.4 -0.938 11.2 173.1-111.0 117.9 19.1 2.0 28.4 37 37 A H E > S-CE 21 40A 1 3,-2.5 3,-1.9 -2,-0.6 -16,-0.2 -0.993 72.9 -13.7-126.4 127.5 22.0 2.5 26.0 38 38 A Y T 3 S- 0 0 113 -18,-1.6 -1,-0.2 -19,-1.2 -18,-0.2 0.921 131.4 -52.3 45.5 49.6 24.6 -0.2 25.4 39 39 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.518 116.1 112.3 70.3 9.9 23.3 -2.0 28.5 40 40 A T E < -E 37 0A 45 -3,-1.9 -3,-2.5 2,-0.0 2,-0.4 -0.934 66.9-125.5-122.4 135.9 23.5 1.0 30.8 41 41 A E E +E 36 0A 75 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.630 29.9 171.7 -76.2 125.0 20.9 3.1 32.5 42 42 A L + 0 0 0 -7,-2.9 71,-3.0 -2,-0.4 2,-0.3 0.562 42.7 101.2-108.9 -15.7 21.4 6.8 31.7 43 43 A Q B S-F 112 0B 6 -8,-0.6 69,-0.2 69,-0.2 2,-0.1 -0.569 78.7-113.5 -80.5 134.6 18.2 8.4 33.1 44 44 A Y - 0 0 53 67,-2.6 3,-0.4 -2,-0.3 67,-0.1 -0.425 27.4-142.2 -59.7 133.7 18.3 10.2 36.4 45 45 A S S S+ 0 0 112 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.719 86.8 53.0 -78.7 -20.3 16.2 8.1 38.7 46 46 A S S S+ 0 0 91 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.569 116.0 21.3 -93.1 -12.2 14.4 10.7 40.8 47 47 A Q S S- 0 0 77 -3,-0.4 -1,-0.2 64,-0.1 64,-0.1 -0.980 81.1-117.7-155.3 141.7 12.9 13.0 38.2 48 48 A G - 0 0 6 -2,-0.3 2,-0.5 5,-0.1 -15,-0.2 -0.153 21.7-107.7 -83.4 173.8 12.1 12.3 34.5 49 49 A S B +D 32 0A 1 -17,-2.0 -17,-2.5 61,-0.1 2,-0.3 -0.888 66.7 119.1 -95.7 130.8 13.3 13.7 31.2 50 50 A H E -G 109 0B 8 59,-2.0 59,-2.8 -2,-0.5 2,-0.3 -0.971 65.9 -54.6-172.9 176.8 10.4 15.8 29.8 51 51 A I E > S-G 108 0B 10 -2,-0.3 3,-2.7 57,-0.2 57,-0.2 -0.580 103.8 -29.6 -70.7 136.3 9.0 19.0 28.6 52 52 A G T 3 S- 0 0 14 55,-2.5 -2,-0.2 1,-0.3 3,-0.1 -0.333 126.1 -32.0 61.2-121.9 9.3 21.8 31.3 53 53 A S T 3 S- 0 0 90 1,-0.5 -1,-0.3 -2,-0.2 -5,-0.1 -0.012 122.2 -55.4-116.6 22.8 9.3 20.2 34.7 54 54 A G < - 0 0 27 -3,-2.7 -1,-0.5 1,-0.1 3,-0.1 -0.106 40.3-112.1 115.5 144.4 7.0 17.5 33.5 55 55 A L - 0 0 38 -26,-0.5 2,-2.0 1,-0.2 -25,-0.1 0.721 42.7-153.9 -78.2 -18.6 3.6 17.4 31.8 56 56 A G S S+ 0 0 51 -27,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.492 71.0 16.9 83.4 -71.3 2.2 15.9 35.0 57 57 A S S S+ 0 0 97 -2,-2.0 2,-0.3 -28,-0.1 -28,-0.3 -1.000 74.5 162.4-136.2 133.2 -0.7 14.0 33.4 58 58 A A - 0 0 14 -30,-2.4 2,-0.7 -2,-0.4 17,-0.2 -0.984 42.4-114.3-147.0 157.3 -1.1 13.2 29.7 59 59 A T E -J 74 0C 98 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.853 43.6-162.6 -93.6 114.9 -3.0 10.9 27.4 60 60 A V E +J 73 0C 13 -2,-0.7 2,-0.3 -33,-0.6 13,-0.2 -0.848 17.1 171.2-109.8 134.1 -0.4 8.6 25.9 61 61 A T E -J 72 0C 78 11,-2.3 11,-2.5 -2,-0.4 2,-0.3 -0.942 10.5-163.4-134.0 156.7 -0.6 6.4 22.9 62 62 A A E +J 71 0C 25 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.989 13.0 167.9-144.6 132.8 2.1 4.4 21.0 63 63 A T E -J 70 0C 73 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.996 29.4-129.7-149.1 151.1 2.1 2.9 17.5 64 64 A Q E -J 69 0C 100 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.859 18.0-177.3 -99.8 133.8 4.3 1.3 14.9 65 65 A S E > -J 68 0C 59 3,-3.3 3,-1.5 -2,-0.4 2,-0.2 -0.878 62.8 -65.8-130.1 92.0 4.1 2.7 11.3 66 66 A G T 3 S- 0 0 58 -2,-0.5 -1,-0.1 1,-0.3 20,-0.0 -0.429 120.8 -7.5 64.1-126.1 6.4 0.5 9.2 67 67 A D T 3 S+ 0 0 88 -2,-0.2 19,-2.9 -3,-0.1 2,-0.3 0.171 127.2 80.9 -87.7 17.6 10.0 1.1 10.3 68 68 A Y E < -JK 65 85C 61 -3,-1.5 -3,-3.3 17,-0.2 2,-0.4 -0.913 58.7-160.1-125.7 150.0 8.9 3.9 12.7 69 69 A I E -JK 64 84C 1 15,-2.0 15,-2.3 -2,-0.3 2,-0.4 -0.998 10.7-164.0-127.1 132.5 7.3 4.1 16.1 70 70 A K E -JK 63 83C 32 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.5 -0.977 5.8-166.9-120.8 129.0 5.4 7.2 17.3 71 71 A V E -JK 62 82C 1 11,-3.1 11,-2.3 -2,-0.4 2,-0.4 -0.968 12.5-164.9-112.3 127.8 4.6 7.9 20.9 72 72 A T E -JK 61 81C 15 -11,-2.5 -11,-2.3 -2,-0.5 2,-0.5 -0.957 8.2-169.4-119.0 133.6 2.0 10.8 21.3 73 73 A a E -JK 60 80C 0 7,-2.5 7,-2.5 -2,-0.4 2,-0.4 -0.954 10.0-163.2-126.7 112.0 1.3 12.6 24.6 74 74 A V E +JK 59 79C 52 -15,-2.7 -15,-2.3 -2,-0.5 2,-0.3 -0.798 16.3 162.1-103.4 132.5 -1.7 14.9 24.7 75 75 A T - 0 0 36 3,-1.9 -17,-0.1 -2,-0.4 3,-0.1 -0.784 56.9 -83.3-129.2 177.2 -2.5 17.6 27.2 76 76 A D S S+ 0 0 167 -2,-0.3 3,-0.1 1,-0.2 -18,-0.0 0.866 121.8 6.2 -52.8 -45.6 -4.9 20.6 27.0 77 77 A T S S+ 0 0 58 1,-0.1 21,-2.4 21,-0.0 22,-0.9 0.289 124.9 58.0-124.9 7.5 -2.6 22.9 25.1 78 78 A L E - L 0 97C 8 19,-0.2 -3,-1.9 20,-0.1 2,-0.5 -0.994 51.0-168.8-144.2 131.9 0.5 20.8 24.3 79 79 A T E -KL 74 96C 3 17,-2.7 17,-3.1 -2,-0.4 2,-0.4 -0.991 14.3-158.3-119.4 126.0 1.1 17.6 22.4 80 80 A Q E -KL 73 95C 5 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.4 -0.862 6.9-162.8-104.7 132.9 4.5 16.0 22.7 81 81 A Y E -KL 72 94C 5 13,-2.5 13,-1.4 -2,-0.4 2,-0.4 -0.946 11.7-173.9-118.6 137.9 5.8 13.5 20.1 82 82 A M E -KL 71 93C 5 -11,-2.3 -11,-3.1 -2,-0.4 2,-0.4 -0.999 13.1-178.1-125.3 129.7 8.6 11.0 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 4.5-172.3-131.2 134.5 9.5 9.1 17.0 84 84 A V E -K 69 0C 1 -15,-2.3 -15,-2.0 -2,-0.4 2,-0.5 -0.924 13.8-144.4-126.2 153.4 12.1 6.4 16.5 85 85 A H E > -K 68 0C 44 5,-0.3 3,-2.5 -2,-0.3 5,-0.2 -0.975 37.0 -98.9-117.5 128.4 13.4 4.8 13.3 86 86 A N T 3 S+ 0 0 43 -19,-2.9 -70,-0.2 -2,-0.5 -71,-0.1 -0.173 107.8 14.6 -46.4 117.5 14.3 1.1 13.3 87 87 A G T 3 S+ 0 0 22 -72,-3.1 -1,-0.3 1,-0.2 -71,-0.1 0.277 100.3 105.8 101.2 -10.7 18.1 0.8 13.7 88 88 A D < - 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