==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-06 2CDO . COMPND 2 MOLECULE: BETA-AGARASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPHAGUS DEGRADANS; . AUTHOR J.HENSHAW,A.HORNE,A.L.VAN BUEREN,V.A.MONEY,D.N.BOLAM, . 548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 258 47.1 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 . 8 1.5 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 . 67 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 4.0 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+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 4 0 12 0 5 9 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 . 0 0 0 4 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 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 S 0 0 41 0, 0.0 2,-0.1 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 -7.0 13.5 22.0 30.2 2 2 A T + 0 0 133 135,-0.1 2,-0.3 55,-0.0 135,-0.0 -0.405 360.0 155.7 -61.5 135.9 14.4 19.3 32.8 3 3 A A - 0 0 25 -2,-0.1 135,-3.0 2,-0.0 2,-0.3 -0.957 21.4-167.1-163.9 150.5 18.1 18.5 32.7 4 4 A S E -A 137 0A 83 -2,-0.3 2,-0.4 133,-0.2 133,-0.2 -0.965 3.9-176.2-153.0 134.0 20.6 17.0 35.2 5 5 A X E -A 136 0A 37 131,-2.5 131,-3.1 -2,-0.3 2,-0.5 -0.975 7.4-163.9-138.5 116.7 24.4 16.9 35.2 6 6 A A E -A 135 0A 52 -2,-0.4 2,-0.5 129,-0.2 129,-0.2 -0.885 11.2-164.3 -99.9 125.4 26.4 15.1 37.9 7 7 A V E -A 134 0A 25 127,-3.5 127,-2.5 -2,-0.5 2,-0.4 -0.971 17.5-130.8-115.9 123.9 30.1 16.1 37.7 8 8 A E E > -A 133 0A 52 -2,-0.5 3,-2.0 125,-0.2 125,-0.3 -0.599 9.8-142.8 -73.0 124.5 32.6 14.0 39.6 9 9 A A G > S+ 0 0 0 123,-1.6 3,-0.8 -2,-0.4 124,-0.2 0.871 100.9 60.1 -58.0 -36.8 34.9 16.3 41.8 10 10 A E G 3 S+ 0 0 40 122,-0.6 -1,-0.3 26,-0.3 27,-0.1 0.662 89.9 73.7 -63.4 -15.6 37.9 14.0 41.0 11 11 A N G < + 0 0 92 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.1 -0.042 67.1 143.7 -93.8 33.8 37.4 14.8 37.2 12 12 A F < - 0 0 52 -3,-0.8 37,-0.2 1,-0.1 3,-0.1 -0.227 49.0-143.3 -61.7 157.9 38.8 18.3 37.4 13 13 A N S S- 0 0 81 35,-3.2 2,-0.3 1,-0.4 36,-0.2 0.715 81.1 -1.1 -95.8 -21.1 40.8 19.6 34.5 14 14 A A E -F 48 0B 44 34,-1.1 34,-2.9 2,-0.0 -1,-0.4 -0.970 61.2-161.7-157.5 154.1 43.2 21.6 36.7 15 15 A V E +F 47 0B 19 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.946 14.5 170.8-134.2 159.7 43.7 22.3 40.4 16 16 A G E +F 46 0B 7 30,-2.0 30,-2.5 -2,-0.3 2,-0.2 -0.964 8.8 140.2-155.9 168.3 45.7 25.0 42.2 17 17 A G - 0 0 29 -2,-0.3 28,-0.2 28,-0.3 27,-0.1 -0.566 40.2-130.1 156.1 152.2 46.5 26.7 45.5 18 18 A T + 0 0 132 -2,-0.2 26,-0.1 25,-0.2 -1,-0.1 0.790 67.3 113.8 -87.1 -33.4 49.3 28.2 47.6 19 19 A F - 0 0 60 24,-0.4 2,-1.0 1,-0.1 23,-0.1 -0.129 69.8-126.9 -48.5 125.4 48.7 26.4 50.9 20 20 A S + 0 0 114 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.598 47.1 152.9 -82.1 100.0 51.7 24.1 51.7 21 21 A D - 0 0 25 -2,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.304 57.9-119.3-110.6 3.5 50.1 20.7 52.3 22 22 A G + 0 0 76 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.551 69.3 130.8 69.1 10.9 53.1 18.7 51.2 23 23 A Q S S- 0 0 81 2,-0.1 -1,-0.2 17,-0.1 -2,-0.1 -0.495 70.7-114.7 -93.7 166.1 51.3 16.9 48.4 24 24 A A S S+ 0 0 100 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.811 105.8 25.8 -65.4 -31.3 52.3 16.4 44.7 25 25 A Q S S- 0 0 113 -4,-0.1 -2,-0.1 -9,-0.0 -9,-0.1 -0.945 88.2-114.6-132.1 149.6 49.3 18.6 43.6 26 26 A P S S+ 0 0 32 0, 0.0 2,-0.4 0, 0.0 16,-0.3 0.668 107.5 36.6 -62.9 -15.2 47.5 21.4 45.7 27 27 A V S S- 0 0 4 14,-0.1 2,-0.2 18,-0.0 13,-0.2 -0.995 81.8-157.6-136.4 137.9 44.3 19.3 45.7 28 28 A S E -B 39 0A 21 11,-2.3 11,-1.9 -2,-0.4 2,-0.4 -0.612 9.3-129.2-115.9 167.1 44.4 15.4 46.1 29 29 A V E +B 38 0A 71 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.927 29.4 160.7-117.3 142.9 42.1 12.5 45.3 30 30 A Y E -B 37 0A 45 7,-2.9 7,-3.1 -2,-0.4 2,-0.4 -0.940 27.4-131.0-147.5 172.0 41.0 9.6 47.6 31 31 A T E +B 36 0A 85 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.984 22.0 171.9-128.0 139.2 38.4 6.9 47.8 32 32 A V E > S-B 35 0A 30 3,-2.1 3,-2.0 -2,-0.4 -2,-0.0 -0.947 73.8 -8.8-146.6 128.0 36.2 6.0 50.8 33 33 A N T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.858 130.0 -56.0 55.9 32.8 33.2 3.6 50.9 34 34 A G T 3 S+ 0 0 67 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.519 112.9 122.0 77.3 5.4 33.5 3.5 47.1 35 35 A N E < -B 32 0A 57 -3,-2.0 -3,-2.1 2,-0.0 2,-0.3 -0.899 52.3-152.3 -99.5 114.0 33.1 7.3 46.8 36 36 A T E +B 31 0A 41 -2,-0.7 2,-0.3 -5,-0.2 -26,-0.3 -0.703 30.3 163.0 -85.4 138.2 36.1 8.9 45.0 37 37 A A E -B 30 0A 0 -7,-3.1 -7,-2.9 -2,-0.3 2,-0.4 -0.963 40.4-105.9-151.4 158.2 36.6 12.4 46.2 38 38 A I E +BC 29 131A 1 93,-2.2 93,-1.8 -2,-0.3 -9,-0.2 -0.776 42.8 163.0 -89.0 139.8 38.9 15.4 46.4 39 39 A N E +B 28 0A 23 -11,-1.9 -11,-2.3 -2,-0.4 3,-0.1 -0.741 45.7 68.5-143.5-170.2 40.6 16.2 49.7 40 40 A Y + 0 0 87 1,-0.2 2,-0.8 -2,-0.2 -1,-0.1 0.855 66.9 162.1 49.3 37.1 43.5 18.2 51.1 41 41 A V - 0 0 2 88,-0.4 87,-2.8 -3,-0.1 88,-0.5 -0.807 14.6-177.2 -86.6 117.7 41.4 21.2 50.0 42 42 A N B > -J 127 0C 0 -2,-0.8 3,-2.3 -16,-0.3 79,-0.3 -0.568 39.1 -68.4-106.6 168.3 42.8 24.3 51.8 43 43 A Q T 3 S+ 0 0 82 83,-1.6 -24,-0.4 1,-0.3 -25,-0.2 -0.381 124.9 16.6 -54.6 129.2 41.8 27.9 52.0 44 44 A G T 3 S+ 0 0 30 77,-2.7 -1,-0.3 1,-0.3 78,-0.1 0.278 95.6 128.3 88.5 -11.5 42.5 29.4 48.6 45 45 A D < - 0 0 0 -3,-2.3 76,-3.0 -28,-0.2 -1,-0.3 -0.395 36.4-175.4 -71.4 156.8 42.7 26.1 46.8 46 46 A Y E -FG 16 120B 67 -30,-2.5 -30,-2.0 74,-0.2 2,-0.4 -0.983 22.3-151.3-153.4 160.6 40.5 25.6 43.7 47 47 A A E -FG 15 119B 2 72,-1.9 72,-3.0 -2,-0.3 2,-0.4 -0.997 17.2-148.9-137.9 129.4 39.5 23.0 41.2 48 48 A D E -FG 14 118B 23 -34,-2.9 -35,-3.2 -2,-0.4 -34,-1.1 -0.866 14.3-175.5-107.6 136.6 38.5 23.9 37.6 49 49 A Y E - G 0 117B 4 68,-3.4 68,-3.1 -2,-0.4 2,-0.5 -0.935 19.9-143.3-128.5 146.5 35.9 22.0 35.4 50 50 A T E - G 0 116B 31 -2,-0.3 2,-0.4 66,-0.2 66,-0.2 -0.969 26.0-172.4-106.6 128.2 34.7 22.3 31.8 51 51 A I E - G 0 115B 11 64,-3.0 64,-2.8 -2,-0.5 2,-0.5 -0.982 18.0-146.9-128.6 126.9 31.0 21.6 31.5 52 52 A A E - G 0 114B 18 -2,-0.4 2,-0.6 177,-0.3 62,-0.2 -0.848 15.6-165.8 -91.8 124.5 28.9 21.2 28.3 53 53 A V E + G 0 113B 4 60,-3.6 60,-2.9 -2,-0.5 3,-0.1 -0.949 16.0 175.8-117.0 106.9 25.3 22.5 28.8 54 54 A A S S+ 0 0 76 -2,-0.6 2,-0.6 58,-0.2 -1,-0.1 0.844 73.1 54.3 -72.2 -35.7 22.8 21.5 26.1 55 55 A Q S S- 0 0 71 56,-0.1 -1,-0.2 58,-0.1 55,-0.1 -0.890 80.6-137.9-115.5 110.1 19.9 23.1 27.9 56 56 A A + 0 0 26 -2,-0.6 2,-0.3 -3,-0.1 55,-0.2 -0.343 47.6 120.8 -60.7 143.9 19.9 26.7 29.1 57 57 A G E S-D 110 0A 0 53,-2.3 53,-2.8 2,-0.0 2,-1.2 -0.956 70.7 -83.9 173.6 170.7 18.5 27.3 32.5 58 58 A N E -D 109 0A 46 -2,-0.3 51,-0.3 51,-0.2 2,-0.2 -0.791 57.4-157.8 -93.2 91.1 18.8 28.5 36.2 59 59 A Y E -D 108 0A 0 49,-2.2 49,-2.3 -2,-1.2 2,-0.3 -0.527 12.0-130.1 -77.3 140.6 20.3 25.3 37.5 60 60 A T E -DE 107 137A 63 77,-3.0 77,-2.3 -2,-0.2 2,-0.4 -0.695 22.4-138.4 -82.3 140.1 20.2 24.3 41.2 61 61 A I E + E 0 136A 0 45,-3.3 44,-3.3 -2,-0.3 2,-0.4 -0.828 22.5 178.8-104.9 126.7 23.6 23.3 42.7 62 62 A S E -DE 104 135A 40 73,-2.0 73,-3.1 -2,-0.4 2,-0.4 -0.992 8.3-163.2-127.7 127.4 23.9 20.3 45.0 63 63 A Y E -DE 103 134A 0 40,-2.6 40,-2.0 -2,-0.4 2,-0.8 -0.847 20.2-146.7-105.1 143.9 27.2 19.1 46.5 64 64 A Q E +DE 102 133A 43 69,-2.9 68,-2.8 -2,-0.4 69,-0.7 -0.896 54.3 150.8 -97.5 90.1 28.0 15.7 48.0 65 65 A A E -DE 101 131A 4 36,-1.9 36,-2.3 -2,-0.8 2,-0.3 -0.848 30.4-177.2-127.3 160.4 30.4 17.4 50.5 66 66 A G E - E 0 130A 2 64,-2.1 64,-2.9 -2,-0.3 2,-0.3 -0.965 2.2-171.6-147.9 159.5 31.8 16.9 54.0 67 67 A S - 0 0 0 26,-0.5 29,-2.4 29,-0.5 28,-1.1 -0.977 21.9-157.0-149.6 156.2 34.2 18.7 56.3 68 68 A G S S+ 0 0 26 -2,-0.3 2,-0.3 28,-0.2 26,-0.1 0.145 81.0 57.6-111.6 9.9 35.8 18.0 59.7 69 69 A V S S- 0 0 29 59,-0.3 2,-0.4 24,-0.1 3,-0.4 -0.911 80.3-117.7-132.3 166.0 36.3 21.7 60.5 70 70 A T S S+ 0 0 113 -2,-0.3 57,-0.1 1,-0.2 -2,-0.0 -0.862 93.6 49.9 -97.0 136.3 34.2 24.8 61.0 71 71 A G S S+ 0 0 18 -2,-0.4 54,-2.3 1,-0.4 2,-0.4 0.602 71.8 129.0 108.4 11.1 35.0 27.5 58.5 72 72 A G + 0 0 1 -3,-0.4 20,-2.7 20,-0.4 -1,-0.4 -0.850 28.1 173.2 -92.5 138.6 35.0 25.7 55.1 73 73 A S E -H 91 0B 19 -2,-0.4 49,-2.2 18,-0.3 50,-0.7 -0.999 26.8-137.4-144.0 139.5 33.0 27.1 52.2 74 74 A I E -HI 90 121B 0 16,-2.4 16,-1.9 -2,-0.3 2,-0.6 -0.879 16.1-160.0 -97.5 119.2 32.6 26.2 48.6 75 75 A E E -HI 89 120B 29 45,-2.7 45,-2.4 -2,-0.6 2,-0.5 -0.901 7.3-153.7 -98.5 120.4 32.6 29.1 46.2 76 76 A F E +HI 88 119B 0 12,-2.6 11,-2.9 -2,-0.6 12,-1.3 -0.835 21.6 175.7 -93.9 126.1 31.1 28.2 42.9 77 77 A X E -HI 86 118B 25 41,-2.6 41,-2.2 -2,-0.5 2,-0.4 -0.912 21.7-153.5-131.4 156.1 32.4 30.4 40.0 78 78 A V E -HI 85 117B 3 7,-2.1 7,-2.4 -2,-0.3 2,-0.4 -0.993 25.2-121.7-129.0 135.5 32.0 30.6 36.2 79 79 A N E +H 84 0B 51 37,-2.5 2,-0.4 -2,-0.4 37,-0.4 -0.641 33.7 178.8 -78.0 123.2 34.6 32.1 33.9 80 80 A E - 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