==== 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 26-JAN-06 2CDP . 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, . 523 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 259 49.5 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 . 64 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 4.2 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 8 0 4 1 11 0 5 9 1 1 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 37 0, 0.0 54,-0.0 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 -3.7 13.4 22.0 29.9 2 2 A T + 0 0 133 136,-0.1 2,-0.3 135,-0.1 135,-0.0 -0.287 360.0 161.1 -56.0 139.5 14.3 19.3 32.6 3 3 A A - 0 0 24 2,-0.0 135,-2.4 51,-0.0 2,-0.3 -0.976 24.2-164.9-165.3 150.6 18.0 18.5 32.6 4 4 A S E -A 137 0A 90 -2,-0.3 2,-0.5 133,-0.2 133,-0.2 -0.940 3.8-177.0-152.2 125.3 20.5 16.9 34.9 5 5 A I E -A 136 0A 36 131,-2.3 131,-2.7 -2,-0.3 2,-0.4 -0.977 9.0-164.1-129.3 112.7 24.3 17.1 34.7 6 6 A A E -A 135 0A 52 -2,-0.5 2,-0.5 129,-0.2 129,-0.2 -0.833 4.8-166.0 -99.9 133.3 26.3 15.1 37.2 7 7 A V E -A 134 0A 19 127,-3.7 127,-2.3 -2,-0.4 2,-0.6 -0.971 16.6-136.8-124.6 122.9 30.0 16.0 37.5 8 8 A E E > -A 133 0A 48 -2,-0.5 3,-2.5 125,-0.2 125,-0.3 -0.660 12.5-141.9 -77.0 124.1 32.4 13.8 39.3 9 9 A A G > S+ 0 0 0 123,-1.7 3,-0.9 -2,-0.6 124,-0.2 0.842 100.4 59.5 -55.3 -36.2 34.7 16.0 41.5 10 10 A E G 3 S+ 0 0 40 122,-0.6 -1,-0.3 26,-0.3 27,-0.1 0.613 90.2 75.1 -66.6 -10.6 37.7 13.7 40.7 11 11 A N G < + 0 0 95 -3,-2.5 -1,-0.3 2,-0.0 -2,-0.1 0.059 66.8 143.3 -97.0 28.3 37.2 14.5 37.0 12 12 A F < - 0 0 48 -3,-0.9 37,-0.2 1,-0.1 3,-0.1 -0.186 50.6-141.8 -60.2 155.2 38.6 18.1 37.2 13 13 A N S S- 0 0 82 35,-3.3 2,-0.3 1,-0.4 36,-0.2 0.706 82.4 -3.5 -90.5 -21.0 40.6 19.4 34.3 14 14 A A E -F 48 0B 43 34,-1.0 34,-3.0 2,-0.0 -1,-0.4 -0.965 59.8-155.0-163.4 154.2 43.0 21.2 36.6 15 15 A V E +F 47 0B 16 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.909 16.9 176.3-131.7 156.4 43.6 22.0 40.3 16 16 A G E +F 46 0B 7 30,-2.1 30,-2.3 -2,-0.3 2,-0.2 -0.965 11.6 133.6-156.2 163.0 45.4 24.8 42.0 17 17 A G - 0 0 31 -2,-0.3 28,-0.2 28,-0.3 27,-0.1 -0.608 40.9-134.3 151.3 149.5 46.3 26.3 45.4 18 18 A T + 0 0 131 25,-0.2 26,-0.1 -2,-0.2 -1,-0.1 0.718 64.3 115.4 -94.6 -31.3 49.1 27.8 47.5 19 19 A F S S- 0 0 61 24,-0.4 2,-1.1 1,-0.1 23,-0.1 -0.175 70.2-124.4 -55.9 128.0 48.6 26.0 50.8 20 20 A S + 0 0 115 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.606 48.4 153.1 -81.2 100.3 51.5 23.7 51.6 21 21 A D - 0 0 25 -2,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.326 55.7-119.8-110.3 3.5 49.9 20.3 52.1 22 22 A G + 0 0 78 1,-0.2 2,-0.1 2,-0.1 -2,-0.1 0.575 69.5 127.7 72.4 10.3 52.9 18.1 51.1 23 23 A Q S S- 0 0 80 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.477 72.2-115.5 -96.3 169.7 51.0 16.4 48.3 24 24 A A S S+ 0 0 104 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.914 105.3 28.1 -66.1 -42.6 51.9 15.9 44.6 25 25 A Q S S- 0 0 109 -4,-0.1 -2,-0.1 1,-0.1 -9,-0.1 -0.840 87.2-116.3-118.4 154.3 49.0 18.0 43.5 26 26 A P S S+ 0 0 32 0, 0.0 16,-0.4 0, 0.0 2,-0.3 0.639 107.9 32.2 -63.6 -17.8 47.3 20.9 45.5 27 27 A V S S- 0 0 3 14,-0.1 2,-0.2 -12,-0.0 13,-0.2 -0.984 84.3-155.1-138.4 139.9 44.1 18.9 45.6 28 28 A S E -B 39 0A 22 11,-2.4 11,-2.1 -2,-0.3 2,-0.4 -0.653 10.2-127.7-117.2 168.1 44.1 15.1 45.8 29 29 A V E +B 38 0A 73 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.913 32.1 160.2-115.5 139.2 41.8 12.2 44.9 30 30 A Y E -B 37 0A 43 7,-2.7 7,-3.1 -2,-0.4 2,-0.4 -0.918 27.9-131.7-145.5 173.9 40.8 9.4 47.3 31 31 A T E +B 36 0A 86 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.987 21.2 172.0-132.3 142.0 38.1 6.7 47.7 32 32 A V E > S-B 35 0A 28 3,-2.0 3,-2.7 -2,-0.4 -2,-0.0 -0.967 74.1 -8.3-147.3 129.0 36.0 5.9 50.7 33 33 A N T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.839 130.3 -53.6 54.1 37.5 33.1 3.4 50.8 34 34 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.337 113.8 122.1 78.5 -7.8 33.2 3.1 46.9 35 35 A N E < -B 32 0A 61 -3,-2.7 -3,-2.0 2,-0.0 2,-0.4 -0.768 52.0-153.3 -91.6 118.5 33.0 7.0 46.6 36 36 A T E +B 31 0A 42 -2,-0.5 2,-0.3 -5,-0.2 -26,-0.3 -0.798 31.1 159.6 -93.3 135.3 35.8 8.6 44.8 37 37 A A E -B 30 0A 0 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.4 -0.936 41.5-104.8-146.9 167.9 36.3 12.2 46.0 38 38 A I E +BC 29 131A 1 93,-2.3 93,-1.9 -2,-0.3 -9,-0.2 -0.812 42.3 162.6 -98.1 140.3 38.7 15.1 46.2 39 39 A N E +B 28 0A 27 -11,-2.1 -11,-2.4 -2,-0.4 3,-0.1 -0.766 45.8 69.5-143.3-169.0 40.4 16.0 49.5 40 40 A Y + 0 0 82 -2,-0.2 2,-0.8 1,-0.2 -1,-0.1 0.870 65.3 162.9 51.3 36.9 43.3 18.0 50.9 41 41 A V - 0 0 2 88,-0.4 87,-2.5 -3,-0.1 88,-0.5 -0.809 13.8-178.0 -85.8 111.4 41.2 21.0 49.9 42 42 A N B > -J 127 0C 0 -2,-0.8 3,-2.1 -16,-0.4 79,-0.3 -0.512 39.8 -67.1-102.3 173.4 42.7 24.0 51.7 43 43 A Q T 3 S+ 0 0 82 83,-1.9 -24,-0.4 1,-0.3 -25,-0.2 -0.391 124.6 15.8 -59.5 129.5 41.7 27.7 51.8 44 44 A G T 3 S+ 0 0 28 77,-2.8 -1,-0.3 1,-0.3 78,-0.1 0.291 95.5 126.7 89.0 -11.5 42.3 29.2 48.4 45 45 A D < - 0 0 0 -3,-2.1 76,-3.4 -28,-0.2 -1,-0.3 -0.392 36.4-176.8 -70.1 157.8 42.6 25.8 46.6 46 46 A Y E -FG 16 120B 68 -30,-2.3 -30,-2.1 74,-0.3 2,-0.4 -0.986 22.7-147.5-153.5 162.9 40.3 25.3 43.6 47 47 A A E -FG 15 119B 1 72,-2.2 72,-2.8 -2,-0.3 2,-0.3 -0.999 17.6-147.3-136.0 129.4 39.3 22.7 41.0 48 48 A D E -FG 14 118B 23 -34,-3.0 -35,-3.3 -2,-0.4 -34,-1.0 -0.811 14.9-176.7-101.5 141.8 38.3 23.6 37.4 49 49 A Y E - G 0 117B 4 68,-2.9 68,-3.0 -2,-0.3 2,-0.5 -0.974 20.6-141.6-136.7 143.3 35.8 21.7 35.3 50 50 A T E - G 0 116B 34 -2,-0.3 2,-0.5 66,-0.2 66,-0.2 -0.952 27.0-170.6-107.1 127.4 34.6 22.2 31.6 51 51 A I E - G 0 115B 8 64,-2.9 64,-2.8 -2,-0.5 2,-0.4 -0.976 16.9-149.1-128.3 122.5 30.9 21.6 31.3 52 52 A A E - G 0 114B 17 -2,-0.5 2,-0.5 169,-0.3 62,-0.2 -0.756 13.7-167.6 -85.5 134.8 28.7 21.3 28.2 53 53 A V E + G 0 113B 3 60,-3.4 60,-2.8 -2,-0.4 3,-0.1 -0.956 13.6 177.3-128.2 107.9 25.2 22.5 28.7 54 54 A A S S+ 0 0 71 -2,-0.5 2,-0.5 58,-0.2 -1,-0.1 0.835 72.9 52.6 -76.4 -36.7 22.8 21.6 25.9 55 55 A Q S S- 0 0 72 56,-0.1 -1,-0.2 58,-0.1 55,-0.1 -0.917 81.7-136.1-110.8 116.2 19.7 23.1 27.6 56 56 A A + 0 0 25 -2,-0.5 2,-0.3 -3,-0.1 55,-0.2 -0.368 47.6 118.0 -68.2 146.1 19.8 26.7 28.9 57 57 A G E S-D 110 0A 0 53,-2.2 53,-3.1 -2,-0.0 2,-1.2 -0.971 71.5 -79.3 173.4 172.8 18.3 27.4 32.3 58 58 A N E -D 109 0A 46 -2,-0.3 51,-0.3 51,-0.3 2,-0.2 -0.798 57.5-158.2 -90.7 91.4 18.7 28.5 35.9 59 59 A Y E -D 108 0A 1 49,-2.1 49,-2.7 -2,-1.2 2,-0.4 -0.482 11.5-132.7 -76.2 142.8 20.3 25.3 37.3 60 60 A T E -DE 107 137A 62 77,-3.3 77,-2.8 47,-0.2 2,-0.5 -0.767 21.6-139.8 -91.3 138.1 20.1 24.3 40.9 61 61 A I E - E 0 136A 0 45,-3.5 44,-3.1 -2,-0.4 45,-0.5 -0.810 20.9-179.3 -99.7 128.4 23.5 23.2 42.3 62 62 A S E -DE 104 135A 40 73,-2.3 73,-2.7 -2,-0.5 2,-0.4 -1.000 8.4-160.3-126.0 133.9 23.8 20.2 44.7 63 63 A Y E -DE 103 134A 0 40,-2.9 40,-2.2 -2,-0.4 2,-0.9 -0.890 20.0-146.2-108.9 145.2 27.0 19.0 46.2 64 64 A Q E +DE 102 133A 46 69,-3.0 68,-3.0 -2,-0.4 69,-0.7 -0.884 54.9 150.9 -97.6 89.3 27.8 15.6 47.7 65 65 A A E -DE 101 131A 5 36,-1.9 36,-2.2 -2,-0.9 2,-0.3 -0.876 30.7-177.5-129.4 155.7 30.2 17.2 50.2 66 66 A G E - E 0 130A 2 64,-2.1 64,-2.8 -2,-0.3 2,-0.3 -0.958 3.4-171.3-141.0 160.0 31.6 16.7 53.7 67 67 A S B -k 94 0D 0 26,-0.6 29,-2.1 29,-0.4 28,-1.1 -0.984 21.8-156.4-146.8 159.0 33.9 18.5 56.0 68 68 A G S S+ 0 0 26 -2,-0.3 2,-0.3 28,-0.2 26,-0.1 0.234 79.8 55.9-110.5 7.3 35.6 17.9 59.4 69 69 A V S S- 0 0 28 59,-0.3 2,-0.4 24,-0.1 3,-0.4 -0.876 80.7-114.9-131.4 165.4 36.0 21.6 60.3 70 70 A T S S+ 0 0 115 -2,-0.3 57,-0.1 1,-0.2 -2,-0.0 -0.862 95.0 44.7 -96.7 134.4 33.9 24.7 60.7 71 71 A G S S+ 0 0 20 -2,-0.4 54,-2.3 1,-0.4 2,-0.5 0.669 72.5 130.7 105.0 17.4 34.6 27.5 58.2 72 72 A G + 0 0 1 20,-0.4 20,-2.5 -3,-0.4 -1,-0.4 -0.888 29.8 175.3 -95.3 138.4 34.9 25.5 54.9 73 73 A S E -H 91 0B 21 -2,-0.5 49,-2.1 18,-0.3 50,-0.7 -0.999 26.4-137.1-141.9 141.2 32.8 26.9 52.1 74 74 A I E -HI 90 121B 0 16,-2.9 16,-2.0 -2,-0.4 2,-0.5 -0.865 17.3-163.7 -96.7 117.9 32.4 26.0 48.4 75 75 A E E -HI 89 120B 32 45,-2.4 45,-2.4 -2,-0.7 2,-0.5 -0.896 6.2-153.5 -98.2 126.6 32.4 28.9 46.1 76 76 A F E +HI 88 119B 0 12,-2.7 11,-3.1 -2,-0.5 12,-1.2 -0.889 20.9 176.2-101.0 120.1 31.1 28.1 42.5 77 77 A L E -HI 86 118B 16 41,-2.7 41,-2.6 -2,-0.5 2,-0.4 -0.895 20.1-151.4-122.2 155.6 32.5 30.5 39.8 78 78 A V E -HI 85 117B 5 7,-2.2 7,-2.6 -2,-0.3 2,-1.1 -0.988 22.6-125.5-126.5 135.7 32.2 30.6 36.0 79 79 A N E -H 84 0B 53 37,-2.3 2,-0.8 -2,-0.4 37,-0.4 -0.733 29.1-168.3 -83.9 100.9 34.9 32.1 33.8 80 80 A E - 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