==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-03 1URX . COMPND 2 MOLECULE: BETA-AGARASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR J.ALLOUCH,W.HELBERT,B.HENRISSAT,M.CZJZEK . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 65.3 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 . 102 38.1 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 . 1 0.4 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 . 21 7.8 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 4.5 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 3 4 1 2 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 21 A Q > 0 0 127 0, 0.0 3,-2.0 0, 0.0 259,-0.0 0.000 360.0 360.0 360.0 159.7 -0.6 43.2 9.6 2 22 A D T 3 + 0 0 58 1,-0.3 258,-0.1 257,-0.1 25,-0.0 0.793 360.0 53.0 -57.3 -32.7 -0.2 43.2 13.4 3 23 A W T > S+ 0 0 13 258,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.314 74.8 142.4 -88.9 5.7 3.3 44.6 13.3 4 24 A N T < S+ 0 0 144 -3,-2.0 0, 0.0 1,-0.3 0, 0.0 -0.261 75.3 12.0 -49.1 126.1 2.3 47.6 11.1 5 25 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.350 93.7 120.2 85.0 -4.1 4.4 50.6 12.3 6 26 A I < - 0 0 54 -3,-2.5 -1,-0.2 1,-0.0 195,-0.0 -0.840 64.1-129.1 -89.6 116.6 6.8 48.6 14.5 7 27 A P - 0 0 101 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.266 15.6-111.8 -63.3 152.6 10.3 49.3 13.2 8 28 A V - 0 0 26 1,-0.1 10,-0.1 2,-0.1 93,-0.0 -0.755 28.6-149.3 -76.4 123.8 12.7 46.5 12.3 9 29 A P + 0 0 37 0, 0.0 194,-0.2 0, 0.0 -1,-0.1 0.684 67.1 87.3 -76.6 -19.8 15.4 47.0 15.0 10 30 A A S S- 0 0 5 1,-0.1 -2,-0.1 192,-0.1 91,-0.0 -0.406 85.3-109.8 -77.8 157.0 18.3 45.7 13.0 11 31 A N - 0 0 104 1,-0.1 3,-0.1 -2,-0.1 6,-0.1 -0.787 22.1-165.8 -92.4 115.3 20.4 47.9 10.7 12 32 A P - 0 0 26 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.541 53.8 -92.7 -78.9 -8.0 19.8 47.0 7.0 13 33 A G > - 0 0 32 3,-0.2 3,-1.5 253,-0.0 2,-0.1 -0.242 55.1 -52.6 112.9 158.2 22.8 49.0 5.9 14 34 A N T 3 S+ 0 0 159 1,-0.3 3,-0.1 -2,-0.1 -3,-0.0 -0.468 128.8 12.1 -64.0 138.2 23.4 52.6 4.8 15 35 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.714 112.1 109.3 62.8 23.5 21.0 53.5 2.0 16 36 A M < - 0 0 83 -3,-1.5 2,-0.3 252,-0.3 -1,-0.3 -0.864 45.0-171.6-125.0 159.4 19.1 50.3 2.6 17 37 A T E -A 267 0A 81 250,-3.3 250,-2.8 -2,-0.3 2,-0.4 -0.859 29.7 -95.0-138.1 176.8 15.6 49.4 4.0 18 38 A W E -A 266 0A 34 -2,-0.3 2,-0.5 248,-0.2 -10,-0.0 -0.830 27.9-162.3-103.1 140.0 13.8 46.2 5.1 19 39 A Q E -A 265 0A 108 246,-2.6 246,-2.1 -2,-0.4 -2,-0.0 -0.971 21.9-119.8-123.9 123.3 11.4 44.3 2.9 20 40 A L E -A 264 0A 39 -2,-0.5 2,-0.8 244,-0.2 244,-0.3 -0.255 13.6-140.4 -59.7 136.3 8.8 41.8 4.2 21 41 A Q > - 0 0 54 242,-3.0 3,-1.4 1,-0.2 242,-0.3 -0.892 17.1-163.7 -95.4 101.5 9.1 38.2 3.0 22 42 A D G > S+ 0 0 120 -2,-0.8 3,-1.2 1,-0.2 -1,-0.2 0.818 77.8 60.9 -58.5 -37.0 5.4 37.4 2.5 23 43 A N G 3 S+ 0 0 73 1,-0.3 -1,-0.2 -3,-0.1 70,-0.2 0.479 112.7 35.0 -81.9 -1.1 5.7 33.6 2.4 24 44 A V G < S+ 0 0 0 -3,-1.4 2,-0.3 239,-0.1 -1,-0.3 0.121 102.8 86.7-132.0 16.1 7.2 33.1 5.8 25 45 A S < + 0 0 1 -3,-1.2 2,-0.3 -4,-0.2 237,-0.2 -0.902 49.2 167.1-115.9 147.7 5.3 35.9 7.6 26 46 A D B -B 261 0A 9 235,-2.5 235,-2.5 -2,-0.3 -3,-0.0 -0.940 34.7-161.3-162.2 129.8 1.9 35.5 9.2 27 47 A S - 0 0 4 -2,-0.3 -1,-0.1 233,-0.2 3,-0.1 0.529 39.1-139.3 -86.0 -8.1 -0.3 37.5 11.6 28 48 A F + 0 0 0 1,-0.2 2,-1.7 12,-0.1 42,-0.4 0.746 47.0 154.2 57.3 28.7 -2.3 34.2 12.2 29 49 A N + 0 0 80 42,-0.1 2,-0.3 40,-0.1 42,-0.2 -0.363 44.5 79.8 -88.2 59.0 -5.5 36.2 12.2 30 50 A Y S S- 0 0 37 -2,-1.7 40,-2.1 42,-0.1 2,-0.5 -0.966 79.9-111.1-154.0 159.7 -7.7 33.3 11.1 31 51 A T E +C 69 0A 87 -2,-0.3 2,-0.3 38,-0.3 38,-0.2 -0.858 47.2 148.5-101.6 130.2 -9.2 30.2 12.8 32 52 A S E +C 68 0A 2 36,-2.1 36,-2.1 -2,-0.5 2,-0.3 -0.992 8.4 146.7-157.1 160.8 -7.8 26.8 12.0 33 53 A S B > -J 36 0B 47 3,-1.5 3,-2.7 -2,-0.3 34,-0.1 -0.950 61.2 -35.5-174.6 178.4 -7.2 23.3 13.4 34 54 A E T 3 S+ 0 0 109 1,-0.3 33,-0.0 30,-0.3 -2,-0.0 -0.293 134.2 15.4 -51.7 128.5 -7.1 19.6 12.4 35 55 A G T 3 S+ 0 0 83 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.447 122.9 67.8 79.2 2.6 -9.8 19.2 9.8 36 56 A N B < +J 33 0B 82 -3,-2.7 -3,-1.5 2,-0.1 -2,-0.1 -0.467 58.9 149.6-149.7 63.4 -10.1 23.0 9.2 37 57 A R - 0 0 56 -5,-0.2 -5,-0.1 4,-0.0 -3,-0.0 -0.884 28.7-161.1-107.0 103.0 -6.8 24.0 7.6 38 58 A P >> - 0 0 40 0, 0.0 4,-2.8 0, 0.0 3,-1.2 -0.271 32.3-105.3 -80.0 167.2 -7.3 27.0 5.3 39 59 A T H 3> S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.816 116.9 68.3 -57.6 -35.6 -5.0 28.2 2.5 40 60 A A H 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 -12,-0.1 0.764 115.3 28.7 -56.5 -29.9 -3.8 31.1 4.7 41 61 A F H X> S+ 0 0 1 -3,-1.2 4,-2.7 3,-0.1 3,-1.8 0.858 119.9 49.7 -92.4 -53.2 -2.2 28.4 6.8 42 62 A T H 3< S+ 0 0 50 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.676 101.3 63.7 -73.2 -16.3 -1.3 25.5 4.4 43 63 A S T 3< S+ 0 0 59 -4,-2.1 -1,-0.3 -5,-0.2 -3,-0.1 0.708 122.4 18.6 -70.7 -25.5 0.3 27.8 1.8 44 64 A K T <4 S+ 0 0 38 -3,-1.8 49,-2.5 -5,-0.2 50,-0.5 0.681 122.4 36.9-118.0 -27.9 3.0 28.6 4.4 45 65 A W E < -K 92 0C 2 -4,-2.7 -1,-0.2 47,-0.2 47,-0.2 -0.907 46.8-160.0-135.7 153.1 3.1 26.1 7.2 46 66 A K E -K 91 0C 60 45,-2.0 45,-2.2 -2,-0.3 2,-1.0 -0.976 28.5-127.6-127.2 145.0 2.7 22.4 8.0 47 67 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.216 81.3 73.8 -86.7 48.9 1.9 21.1 11.5 48 68 A S S S- 0 0 49 -2,-1.0 -2,-0.2 43,-0.1 4,-0.1 -0.947 86.2 -87.9-151.8 165.5 4.8 18.7 11.6 49 69 A Y - 0 0 10 -2,-0.3 42,-0.1 4,-0.3 -1,-0.0 -0.110 53.1 -95.7 -68.9 171.9 8.6 18.4 11.9 50 70 A I S S+ 0 0 25 40,-0.1 2,-0.2 71,-0.1 -1,-0.1 0.638 104.7 1.7 -71.8 -14.6 10.7 18.6 8.7 51 71 A N S S- 0 0 68 2,-0.2 -2,-0.3 0, 0.0 71,-0.0 -0.779 103.8 -64.2-149.7-166.3 10.8 14.8 8.5 52 72 A G S S+ 0 0 73 -2,-0.2 -2,-0.0 -4,-0.1 -3,-0.0 0.492 84.7 120.2 -71.1 -9.0 9.4 11.7 10.3 53 73 A W - 0 0 111 1,-0.1 -4,-0.3 7,-0.0 -2,-0.2 -0.346 51.5-155.0 -60.3 138.8 11.2 12.3 13.7 54 74 A T - 0 0 76 1,-0.3 7,-2.5 5,-0.1 -1,-0.1 0.336 48.3 -90.3-101.7 6.2 8.7 12.7 16.5 55 75 A G - 0 0 12 5,-0.2 -1,-0.3 179,-0.1 2,-0.2 -0.314 47.0 -59.1 112.8 167.9 11.0 14.7 18.9 56 76 A P S > S- 0 0 24 0, 0.0 3,-2.1 0, 0.0 179,-0.4 -0.491 89.9 -21.6 -87.1 154.0 13.6 14.4 21.7 57 77 A G T 3 S- 0 0 39 1,-0.3 179,-0.2 179,-0.2 27,-0.0 -0.302 133.3 -6.4 65.4-118.4 13.2 12.7 25.1 58 78 A S T 3 S+ 0 0 19 177,-2.1 27,-2.3 -2,-0.1 -1,-0.3 0.145 104.0 121.2-102.4 17.1 9.5 12.5 26.1 59 79 A T E < -r 85 0D 6 -3,-2.1 2,-0.3 176,-0.4 27,-0.2 -0.582 38.1-175.2 -82.3 141.3 8.2 14.6 23.1 60 80 A I E -r 86 0D 42 25,-0.6 27,-2.6 -2,-0.2 -5,-0.2 -0.847 20.7-143.7-134.0 97.2 5.7 13.3 20.6 61 81 A F E +r 87 0D 19 -7,-2.5 2,-0.3 -2,-0.3 27,-0.2 -0.353 27.1 178.6 -58.6 139.1 5.2 15.8 17.8 62 82 A N > - 0 0 54 25,-2.1 3,-1.4 1,-0.1 27,-0.2 -0.978 32.4-136.3-155.6 123.8 1.5 15.6 16.8 63 83 A A G > S+ 0 0 26 -2,-0.3 3,-1.7 1,-0.3 26,-0.1 0.811 97.5 62.0 -57.7 -39.5 -0.4 17.6 14.2 64 84 A P G 3 S+ 0 0 47 0, 0.0 -30,-0.3 0, 0.0 -1,-0.3 0.756 91.3 69.8 -59.2 -22.3 -3.6 18.4 16.2 65 85 A Q G < S+ 0 0 23 -3,-1.4 11,-2.9 22,-0.2 2,-0.5 0.397 86.0 74.9 -85.6 6.7 -1.6 20.4 18.8 66 86 A A E < + D 0 75A 0 -3,-1.7 2,-0.3 9,-0.2 9,-0.2 -0.987 65.1 132.3-109.0 127.8 -0.9 23.2 16.3 67 87 A W E - D 0 74A 58 7,-1.9 7,-3.2 -2,-0.5 2,-0.3 -0.957 43.4-127.0-160.7 167.5 -3.9 25.4 15.6 68 88 A T E -CD 32 73A 2 -36,-2.1 -36,-2.1 -2,-0.3 5,-0.2 -0.959 2.5-157.6-129.4 153.2 -5.0 29.1 15.4 69 89 A N E -C 31 0A 67 3,-1.9 -38,-0.3 -2,-0.3 4,-0.1 0.113 62.3 -81.2-118.0 17.7 -7.9 30.9 17.2 70 90 A G S S+ 0 0 30 -40,-2.1 -39,-0.2 -42,-0.4 3,-0.1 0.156 126.4 29.3 100.3 -16.0 -8.6 33.9 15.0 71 91 A S S S+ 0 0 50 1,-0.3 2,-0.3 -41,-0.2 -42,-0.1 0.507 117.7 34.6-141.5 -26.4 -5.7 36.1 16.3 72 92 A Q - 0 0 27 -42,-0.1 -3,-1.9 188,-0.0 2,-0.4 -0.960 67.8-117.4-138.2 152.8 -2.9 33.7 17.4 73 93 A L E -DE 68 258A 0 185,-2.8 185,-2.7 -2,-0.3 2,-0.5 -0.781 28.2-149.9 -81.4 132.2 -1.1 30.5 16.7 74 94 A A E -DE 67 257A 0 -7,-3.2 -7,-1.9 -2,-0.4 2,-0.7 -0.948 12.0-171.3-103.1 119.1 -1.3 27.9 19.6 75 95 A I E -DE 66 256A 0 181,-2.4 181,-3.1 -2,-0.5 2,-0.3 -0.959 29.6-173.1-104.0 105.3 1.6 25.5 19.9 76 96 A Q E - E 0 255A 21 -11,-2.9 12,-2.1 -2,-0.7 2,-0.3 -0.701 23.4-148.8-109.6 153.6 0.0 23.2 22.5 77 97 A A E -S 87 0D 0 177,-2.4 10,-0.2 -2,-0.3 177,-0.1 -0.864 17.1-177.0-112.3 153.0 1.1 20.3 24.7 78 98 A Q E -S 86 0D 58 8,-2.2 8,-2.3 -2,-0.3 2,-0.2 -0.969 35.4 -90.3-141.0 159.6 -1.1 17.4 25.9 79 99 A P E +S 85 0D 40 0, 0.0 6,-0.2 0, 0.0 166,-0.1 -0.532 34.3 177.3 -66.3 135.8 -0.8 14.4 28.1 80 100 A A E - 0 0 23 4,-2.3 5,-0.2 -2,-0.2 165,-0.0 0.410 39.3-124.6-114.7 -1.4 0.3 11.3 26.1 81 101 A G E > S+S 84 0D 26 3,-0.7 3,-2.0 1,-0.0 -1,-0.2 -0.057 85.9 70.9 76.5 168.7 0.5 8.9 29.0 82 102 A N T 3 S- 0 0 161 1,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.809 131.3 -61.2 57.0 33.7 3.6 6.8 30.0 83 103 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 159,-0.0 2,-0.2 0.562 112.9 112.1 74.0 10.3 5.4 10.0 31.2 84 104 A K E < - S 0 81D 94 -3,-2.0 -4,-2.3 158,-0.1 -3,-0.7 -0.607 52.9-142.7-113.4 171.0 5.2 11.6 27.7 85 105 A S E -rS 59 79D 0 -27,-2.3 -25,-0.6 -6,-0.2 2,-0.4 -0.917 16.4-126.8-125.3 156.4 3.5 14.5 26.0 86 106 A Y E -rS 60 78D 84 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.4 -0.842 39.2-157.0 -92.1 141.8 2.0 15.2 22.6 87 107 A N E -rS 61 77D 0 -27,-2.6 -25,-2.1 -2,-0.4 -10,-0.2 -0.978 12.0-129.3-138.1 129.0 3.6 18.4 21.3 88 108 A G + 0 0 0 -12,-2.1 145,-1.5 -2,-0.4 2,-0.3 -0.387 32.5 163.5 -74.5 151.4 2.7 21.0 18.8 89 109 A I E - 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