==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-03 1O4Y . COMPND 2 MOLECULE: BETA-AGARASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR J.ALLOUCH,M.JAM,W.HELBERT,T.BARBEYRON,B.KLOAREG,B.HENRISSAT, . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 3 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 2 4 2 3 1 4 0 0 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 1 0 0 0 0 1 0 1 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 20 A A 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.8 19.6 37.4 53.2 2 21 A Q > - 0 0 85 25,-0.1 3,-1.5 26,-0.0 259,-0.0 -0.960 360.0-117.7-125.3 153.2 22.3 40.1 52.8 3 22 A D T 3 S+ 0 0 61 -2,-0.3 258,-0.1 1,-0.3 25,-0.0 0.694 110.5 50.7 -61.7 -22.0 22.6 42.4 49.7 4 23 A W T > S+ 0 0 7 258,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.368 72.5 138.2-100.0 1.5 26.0 41.1 48.8 5 24 A N T < S+ 0 0 105 -3,-1.5 0, 0.0 1,-0.3 0, 0.0 -0.242 74.2 19.9 -57.1 127.2 25.3 37.4 48.8 6 25 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.166 91.9 115.5 99.4 -20.1 27.0 35.7 45.8 7 26 A I < - 0 0 57 -3,-2.5 -1,-0.3 1,-0.0 -3,-0.0 -0.751 65.4-129.2 -83.7 117.3 29.6 38.6 45.2 8 27 A P - 0 0 100 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.257 13.4-113.7 -64.2 155.7 33.1 37.1 45.8 9 28 A V - 0 0 26 1,-0.1 10,-0.1 2,-0.1 93,-0.0 -0.822 26.5-147.0 -79.3 125.0 35.7 38.8 48.0 10 29 A P S S+ 0 0 44 0, 0.0 2,-0.2 0, 0.0 194,-0.1 0.661 70.9 79.8 -74.5 -17.1 38.4 39.8 45.4 11 30 A A S S- 0 0 7 186,-0.1 -2,-0.1 1,-0.0 91,-0.0 -0.522 86.1-110.1 -89.0 157.3 41.4 39.2 47.8 12 31 A N - 0 0 114 -2,-0.2 3,-0.1 1,-0.1 6,-0.1 -0.748 16.6-153.8 -89.2 125.8 43.0 35.8 48.6 13 32 A P - 0 0 27 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.630 50.3-103.8 -74.0 -14.8 42.4 34.7 52.2 14 33 A G > - 0 0 24 3,-0.2 3,-2.0 253,-0.0 254,-0.1 -0.199 52.5 -39.0 109.7 161.0 45.6 32.6 52.3 15 34 A N T 3 S+ 0 0 172 1,-0.3 3,-0.1 -2,-0.1 -3,-0.0 -0.293 129.1 2.6 -58.4 129.2 46.5 28.9 52.0 16 35 A G T 3 S+ 0 0 47 1,-0.2 254,-1.8 253,-0.1 2,-0.3 0.694 112.4 113.1 63.3 20.8 44.1 26.7 53.9 17 36 A M E < -A 269 0A 75 -3,-2.0 2,-0.3 252,-0.2 -1,-0.2 -0.821 46.0-165.1-120.1 163.0 41.9 29.8 54.9 18 37 A T E -A 268 0A 69 250,-2.4 250,-2.6 -2,-0.3 2,-0.4 -0.942 31.4-100.8-139.9 160.3 38.5 31.1 54.0 19 38 A W E -A 267 0A 38 -2,-0.3 2,-0.4 248,-0.2 -10,-0.0 -0.720 33.9-166.9 -88.3 129.8 36.8 34.5 54.5 20 39 A Q E -A 266 0A 119 246,-2.7 246,-2.2 -2,-0.4 2,-0.0 -0.973 23.0-117.6-119.1 128.1 34.4 34.9 57.5 21 40 A L E -A 265 0A 51 -2,-0.4 2,-0.9 244,-0.2 244,-0.3 -0.329 13.4-138.5 -62.9 136.8 32.0 37.9 57.8 22 41 A Q > - 0 0 37 242,-2.8 3,-1.3 1,-0.2 242,-0.3 -0.873 20.3-166.5 -94.6 97.8 32.5 40.2 60.8 23 42 A D G > S+ 0 0 116 -2,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.814 75.8 63.6 -57.2 -38.7 28.8 40.7 61.7 24 43 A N G 3 S+ 0 0 60 1,-0.3 71,-0.2 -3,-0.1 -1,-0.2 0.536 112.8 33.3 -77.2 -3.3 29.2 43.6 64.1 25 44 A V G < S+ 0 0 0 -3,-1.3 2,-0.3 239,-0.1 -1,-0.3 0.156 102.8 88.3-130.3 14.3 30.6 46.0 61.4 26 45 A S < + 0 0 3 -3,-1.2 2,-0.3 -4,-0.2 237,-0.2 -0.897 49.7 164.8-112.5 145.3 28.6 44.7 58.4 27 46 A D B -B 262 0A 11 235,-2.7 235,-2.2 -2,-0.3 -25,-0.1 -0.923 37.4-160.1-163.7 134.7 25.1 46.0 57.4 28 47 A S - 0 0 3 -2,-0.3 -1,-0.1 233,-0.2 3,-0.1 0.510 38.8-138.1 -86.5 -10.3 22.7 46.0 54.5 29 48 A F + 0 0 0 1,-0.2 2,-1.5 12,-0.1 42,-0.4 0.771 46.4 155.7 55.8 32.1 20.8 49.0 55.9 30 49 A N + 0 0 81 42,-0.1 2,-0.3 40,-0.1 42,-0.2 -0.361 44.3 76.8 -90.4 61.4 17.5 47.4 55.0 31 50 A Y S S- 0 0 37 -2,-1.5 40,-2.3 42,-0.1 2,-0.4 -0.954 79.8-110.0-158.8 163.0 15.4 49.3 57.7 32 51 A T E +C 70 0A 108 38,-0.3 2,-0.3 -2,-0.3 38,-0.2 -0.873 46.5 151.9-107.5 131.4 14.0 52.9 58.1 33 52 A S E +C 69 0A 5 36,-2.0 36,-2.1 -2,-0.4 2,-0.3 -0.993 11.1 156.3-158.3 157.5 15.5 55.2 60.7 34 53 A S B > -J 37 0B 51 3,-1.3 3,-2.8 -2,-0.3 34,-0.1 -0.949 57.6 -42.9-168.9 171.5 16.1 58.9 61.6 35 54 A E T 3 S+ 0 0 102 30,-0.3 33,-0.0 1,-0.3 -2,-0.0 -0.297 131.1 13.9 -49.3 127.0 16.8 61.2 64.6 36 55 A G T 3 S+ 0 0 73 2,-0.0 -1,-0.3 -3,-0.0 2,-0.0 0.328 123.1 68.3 85.2 -5.4 14.4 60.1 67.4 37 56 A N B < +J 34 0B 117 -3,-2.8 -3,-1.3 2,-0.1 -2,-0.1 -0.512 59.7 145.4-145.4 65.2 13.6 56.8 65.6 38 57 A R - 0 0 49 -5,-0.2 -5,-0.1 30,-0.0 -2,-0.0 -0.937 33.0-148.8-117.1 115.9 16.7 54.5 65.6 39 58 A P >> - 0 0 48 0, 0.0 4,-2.5 0, 0.0 3,-1.5 -0.222 30.1-104.0 -77.9 167.5 16.2 50.7 65.9 40 59 A T H 3> S+ 0 0 108 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.821 116.7 69.2 -60.2 -31.8 18.5 48.2 67.5 41 60 A A H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 -12,-0.1 0.760 113.9 30.4 -58.6 -28.7 19.7 47.1 64.0 42 61 A F H X> S+ 0 0 1 -3,-1.5 4,-2.6 3,-0.1 3,-1.6 0.848 119.6 49.5 -90.2 -55.4 21.4 50.5 63.8 43 62 A T H 3< S+ 0 0 50 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.722 101.5 61.9 -69.0 -22.3 22.3 51.4 67.3 44 63 A S T 3< S+ 0 0 63 -4,-2.3 -1,-0.3 -5,-0.2 -3,-0.1 0.718 122.8 21.3 -69.5 -20.5 24.0 48.1 68.2 45 64 A K T <4 S+ 0 0 45 -3,-1.6 49,-2.5 -5,-0.2 50,-0.5 0.698 120.9 39.8-116.0 -30.3 26.6 48.9 65.5 46 65 A W E < -K 93 0C 3 -4,-2.6 47,-0.2 47,-0.2 -1,-0.2 -0.894 47.2-159.2-132.2 152.4 26.7 52.6 64.7 47 66 A K E -K 92 0C 80 45,-2.1 45,-2.2 -2,-0.3 2,-1.3 -0.994 26.7-130.4-128.0 139.3 26.6 56.1 66.2 48 67 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.223 81.3 67.8 -84.1 47.8 25.6 59.2 64.1 49 68 A S S S- 0 0 46 -2,-1.3 -2,-0.2 43,-0.1 4,-0.1 -0.932 87.8 -82.7-152.9 168.8 28.7 61.3 65.3 50 69 A Y - 0 0 9 4,-0.3 42,-0.1 2,-0.3 40,-0.0 -0.161 51.7 -97.0 -69.5 169.3 32.5 61.5 65.1 51 70 A I S S+ 0 0 28 71,-0.1 2,-0.2 178,-0.1 -1,-0.1 0.618 106.4 7.1 -68.7 -14.3 34.8 59.5 67.4 52 71 A N S S- 0 0 72 2,-0.2 -2,-0.3 0, 0.0 71,-0.0 -0.786 103.3 -69.2-147.6-166.1 35.0 62.5 69.7 53 72 A G S S+ 0 0 75 -2,-0.2 -2,-0.0 -4,-0.1 2,-0.0 0.472 82.2 122.7 -77.5 -2.6 33.5 66.0 70.1 54 73 A W - 0 0 115 1,-0.1 -4,-0.3 7,-0.0 -2,-0.2 -0.333 51.5-153.3 -56.5 137.8 35.1 67.6 67.0 55 74 A T - 0 0 77 1,-0.3 7,-2.2 5,-0.1 -1,-0.1 0.390 50.2-100.0 -97.8 4.2 32.5 69.1 64.6 56 75 A G - 0 0 10 5,-0.2 -1,-0.3 179,-0.1 2,-0.1 -0.272 46.0 -45.8 109.6 173.9 34.8 68.7 61.6 57 76 A P S > S- 0 0 25 0, 0.0 3,-2.3 0, 0.0 179,-0.4 -0.334 91.1 -26.2 -81.5 154.7 37.2 70.6 59.3 58 77 A G T 3 S- 0 0 40 1,-0.3 179,-0.2 179,-0.2 27,-0.0 -0.198 131.6 -5.8 57.8-118.9 36.7 74.1 57.6 59 78 A S T 3 S+ 0 0 20 177,-1.9 27,-2.2 25,-0.1 -1,-0.3 0.144 103.9 122.4-100.8 16.5 33.1 75.0 57.1 60 79 A T E < -r 86 0D 6 -3,-2.3 2,-0.3 176,-0.4 27,-0.1 -0.551 38.3-174.4 -75.7 141.2 31.8 71.5 58.3 61 80 A I E -r 87 0D 44 25,-0.5 27,-2.3 -2,-0.2 -5,-0.2 -0.827 20.4-143.8-133.6 96.2 29.3 71.1 61.2 62 81 A F E -r 88 0D 19 -7,-2.2 2,-0.3 -2,-0.3 27,-0.2 -0.391 26.6-179.2 -56.0 134.6 28.8 67.3 61.9 63 82 A N > - 0 0 54 25,-2.0 3,-1.8 1,-0.1 27,-0.2 -0.971 30.9-138.8-149.6 121.3 25.1 66.9 62.9 64 83 A A G > S+ 0 0 28 -2,-0.3 3,-1.7 1,-0.3 26,-0.1 0.801 98.0 62.2 -55.5 -39.9 23.3 63.7 64.0 65 84 A P G 3 S+ 0 0 50 0, 0.0 -30,-0.3 0, 0.0 -1,-0.3 0.718 89.9 71.9 -60.9 -16.7 20.0 64.3 62.1 66 85 A Q G < S+ 0 0 23 -3,-1.8 11,-2.9 22,-0.2 2,-0.5 0.403 85.8 72.9 -87.2 5.9 21.9 64.2 58.8 67 86 A A E < + D 0 76A 0 -3,-1.7 2,-0.3 9,-0.2 9,-0.2 -0.984 64.3 135.5-111.9 125.3 22.5 60.4 59.0 68 87 A W E - D 0 75A 60 7,-1.8 7,-3.1 -2,-0.5 2,-0.3 -0.939 41.6-128.6-157.8 166.5 19.4 58.4 58.3 69 88 A T E -CD 33 74A 2 -36,-2.1 -36,-2.0 -2,-0.3 5,-0.2 -0.965 1.9-155.5-129.4 152.7 18.2 55.2 56.4 70 89 A N E -C 32 0A 67 3,-1.9 -38,-0.3 -2,-0.3 4,-0.1 0.167 61.3 -81.4-112.9 13.3 15.3 54.8 54.0 71 90 A G S S+ 0 0 31 -40,-2.3 -39,-0.2 -42,-0.4 3,-0.1 0.151 126.7 29.1 104.0 -19.2 14.4 51.0 54.2 72 91 A S S S+ 0 0 51 1,-0.3 2,-0.3 -41,-0.2 -42,-0.1 0.511 117.4 33.4-140.0 -27.3 17.2 50.0 51.8 73 92 A Q - 0 0 29 -42,-0.1 -3,-1.9 188,-0.0 2,-0.4 -0.960 68.3-114.7-139.8 152.7 20.2 52.5 52.0 74 93 A L E -DE 69 259A 0 185,-2.8 185,-2.6 -2,-0.3 2,-0.6 -0.754 28.6-151.3 -80.9 128.2 22.1 54.7 54.4 75 94 A A E -DE 68 258A 0 -7,-3.1 -7,-1.8 -2,-0.4 2,-0.7 -0.947 10.9-170.9-101.4 118.7 21.8 58.5 53.5 76 95 A I E -DE 67 257A 0 181,-2.2 181,-2.9 -2,-0.6 2,-0.3 -0.952 28.3-173.6-104.3 103.5 24.8 60.7 54.5 77 96 A Q E - E 0 256A 22 -11,-2.9 12,-1.8 -2,-0.7 2,-0.3 -0.692 23.5-150.3-109.7 152.1 23.3 64.1 53.8 78 97 A A E -S 88 0D 0 177,-2.2 10,-0.2 -2,-0.3 177,-0.1 -0.900 17.1-177.1-112.1 151.3 24.4 67.8 53.8 79 98 A Q E -S 87 0D 50 8,-2.1 8,-2.4 -2,-0.3 2,-0.2 -0.962 34.5 -89.0-141.6 159.4 22.2 70.8 54.6 80 99 A P E +S 86 0D 45 0, 0.0 6,-0.2 0, 0.0 166,-0.1 -0.502 34.0 175.7 -71.0 135.3 22.5 74.7 54.6 81 100 A A E - 0 0 28 4,-2.2 5,-0.2 -2,-0.2 165,-0.0 0.418 41.1-123.1-113.7 -3.4 23.7 76.2 58.0 82 101 A G E > S+S 85 0D 27 3,-0.7 3,-2.0 1,-0.0 -1,-0.2 -0.006 84.2 64.1 77.6 168.1 24.0 79.8 56.9 83 102 A N T 3 S- 0 0 165 1,-0.3 3,-0.1 -2,-0.0 -1,-0.0 0.842 132.7 -53.9 44.4 44.9 27.1 82.1 57.0 84 103 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 159,-0.0 2,-0.2 0.537 112.4 112.4 80.5 7.1 29.0 80.0 54.5 85 104 A K E < - S 0 82D 89 -3,-2.0 -4,-2.2 158,-0.1 -3,-0.7 -0.651 48.7-147.5-116.3 165.3 28.7 76.7 56.4 86 105 A S E -rS 60 80D 0 -27,-2.2 -25,-0.5 -6,-0.2 2,-0.4 -0.906 17.1-128.8-122.2 153.0 27.0 73.3 56.1 87 106 A Y E -rS 61 79D 88 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.4 -0.866 37.7-158.4 -90.5 142.1 25.5 70.7 58.4 88 107 A N E -rS 62 78D 0 -27,-2.3 -25,-2.0 -2,-0.4 -10,-0.2 -0.985 12.4-128.4-138.0 129.4 27.1 67.3 57.6 89 108 A G + 0 0 0 -12,-1.8 145,-1.6 -2,-0.4 2,-0.3 -0.422 31.1 166.2 -73.9 151.2 26.2 63.6 58.1 90 109 A I E - 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