==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-12 4ATF . COMPND 2 MOLECULE: BETA-AGARASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR T.BERNARD,J.H.HEHEMANN,G.CORREC,M.JAM,G.MICHEL,M.CZJZEK . 1185 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 397 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 0.1 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 . 106 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 16 0 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 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 16 16 11 9 4 8 12 4 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 . 8 4 0 0 0 0 4 0 4 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 59 A D >> 0 0 131 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 131.8 26.6 18.6 -2.7 2 60 A W G >4 + 0 0 28 1,-0.3 3,-0.7 2,-0.2 286,-0.0 0.802 360.0 52.8 -55.5 -39.8 27.7 16.3 0.1 3 61 A K G 34 S+ 0 0 87 1,-0.2 -1,-0.3 16,-0.0 16,-0.1 0.802 110.0 50.6 -67.8 -27.1 29.0 19.0 2.5 4 62 A D G <4 S+ 0 0 126 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.524 75.7 115.3 -88.2 -12.3 25.7 20.9 2.3 5 63 A I S << S- 0 0 50 -4,-0.7 -3,-0.0 -3,-0.7 0, 0.0 -0.430 81.3-100.8 -60.2 132.4 23.3 18.0 3.1 6 64 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.209 28.3-121.9 -56.4 144.7 21.7 19.1 6.3 7 65 A V - 0 0 25 1,-0.1 4,-0.1 2,-0.1 10,-0.1 -0.760 18.1-152.2 -81.0 126.5 23.0 17.4 9.5 8 66 A P + 0 0 39 0, 0.0 -1,-0.1 0, 0.0 199,-0.1 0.738 69.4 85.9 -78.2 -22.8 20.0 15.6 11.1 9 67 A A S S- 0 0 5 1,-0.1 2,-0.6 197,-0.1 -2,-0.1 -0.365 87.6-109.8 -75.8 159.3 21.4 15.8 14.7 10 68 A D - 0 0 125 1,-0.1 -1,-0.1 -2,-0.1 6,-0.1 -0.806 19.2-159.6 -99.9 116.3 20.7 19.0 16.8 11 69 A A - 0 0 14 -2,-0.6 5,-0.2 1,-0.2 -1,-0.1 0.669 46.5-113.0 -68.5 -16.3 23.9 21.2 17.4 12 70 A G > - 0 0 29 3,-0.2 3,-1.9 282,-0.0 -1,-0.2 -0.400 53.2 -27.0 104.3 174.4 22.4 22.9 20.4 13 71 A P T 3 S- 0 0 126 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.407 131.2 -3.6 -74.1 132.3 21.2 26.5 21.2 14 72 A N T 3 S+ 0 0 104 1,-0.2 281,-2.5 -2,-0.1 2,-0.3 0.767 111.1 123.8 54.3 32.0 23.1 29.1 19.2 15 73 A M E < -A 294 0A 56 -3,-1.9 2,-0.3 279,-0.2 279,-0.2 -0.830 41.9-167.5-117.7 159.2 25.3 26.4 17.7 16 74 A K E -A 293 0A 117 277,-2.7 277,-2.8 -2,-0.3 2,-0.5 -0.921 30.4-103.4-135.6 162.5 26.1 25.2 14.1 17 75 A W E -A 292 0A 49 -2,-0.3 2,-0.6 275,-0.2 -10,-0.0 -0.789 32.1-154.7 -90.1 126.3 27.7 22.1 12.6 18 76 A E E -A 291 0A 95 273,-3.2 273,-2.2 -2,-0.5 2,-0.1 -0.895 16.8-125.2-106.6 120.4 31.3 22.7 11.4 19 77 A F E -A 290 0A 41 -2,-0.6 2,-0.4 271,-0.2 271,-0.2 -0.412 21.9-138.7 -65.5 131.4 32.7 20.5 8.6 20 78 A Q > - 0 0 44 269,-2.6 3,-1.9 -2,-0.1 269,-0.4 -0.791 7.1-137.6 -97.4 133.7 35.9 18.7 9.5 21 79 A E T 3 S+ 0 0 136 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.664 98.0 75.2 -72.7 -12.5 38.6 18.5 6.9 22 80 A I T 3 S+ 0 0 45 267,-0.1 -1,-0.3 2,-0.1 70,-0.1 0.643 73.5 106.4 -71.1 -8.2 39.3 14.9 7.8 23 81 A S < - 0 0 2 -3,-1.9 2,-0.4 266,-0.2 265,-0.2 -0.257 59.6-155.6 -58.6 158.2 36.0 14.0 6.0 24 82 A D B -B 287 0A 6 263,-2.4 263,-2.3 1,-0.1 -2,-0.1 -0.985 28.0-174.1-146.1 130.5 36.7 12.3 2.7 25 83 A N - 0 0 49 -2,-0.4 -1,-0.1 261,-0.2 263,-0.1 0.311 41.3-131.4-102.9 8.5 34.5 12.0 -0.5 26 84 A F + 0 0 0 1,-0.1 43,-0.3 261,-0.1 41,-0.1 0.841 54.8 146.7 53.6 44.6 37.0 9.6 -2.2 27 85 A E + 0 0 120 41,-0.1 2,-0.2 42,-0.1 -1,-0.1 0.493 48.3 79.6 -92.5 3.2 37.1 11.5 -5.5 28 86 A Y S S- 0 0 19 39,-0.1 2,-0.5 41,-0.1 41,-0.2 -0.546 85.5-107.5-102.3 170.4 40.8 10.6 -6.3 29 87 A E + 0 0 64 861,-0.2 38,-0.2 -2,-0.2 861,-0.2 -0.849 33.6 178.0 -99.6 126.9 42.3 7.4 -7.7 30 88 A A B -C 66 0A 1 36,-2.9 36,-2.3 -2,-0.5 5,-0.2 -0.873 23.2-139.6-130.2 99.7 44.1 5.1 -5.2 31 89 A P > - 0 0 53 0, 0.0 3,-1.4 0, 0.0 33,-0.1 -0.269 21.6-118.9 -56.0 141.6 45.4 1.8 -6.7 32 90 A A T 3 S+ 0 0 23 1,-0.3 3,-0.3 30,-0.1 32,-0.3 0.865 111.3 34.0 -49.4 -47.4 45.0 -1.2 -4.3 33 91 A D T 3 S+ 0 0 134 1,-0.2 -1,-0.3 29,-0.1 29,-0.1 0.321 129.3 34.6 -96.3 7.7 48.7 -2.0 -4.1 34 92 A N < - 0 0 104 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.1 -0.500 67.8-179.8-160.6 76.9 50.0 1.6 -4.4 35 93 A K - 0 0 9 -3,-0.3 4,-0.4 -5,-0.2 3,-0.1 0.772 26.4-148.6 -61.7 -40.2 47.6 3.9 -2.6 36 94 A G > - 0 0 18 1,-0.1 4,-2.0 -6,-0.1 5,-0.1 -0.001 31.6 -66.1 90.0 169.2 49.4 7.3 -3.2 37 95 A S H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.750 122.6 59.7 -69.8 -31.3 49.6 10.5 -1.1 38 96 A E H > S+ 0 0 104 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.959 113.0 38.8 -67.3 -47.7 46.0 11.6 -1.3 39 97 A F H >> S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 3,-1.0 0.958 115.4 53.4 -56.8 -52.4 44.7 8.4 0.4 40 98 A L H 3< S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.639 94.3 69.2 -69.2 -16.1 47.6 8.2 2.8 41 99 A E H 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.916 120.0 17.9 -61.9 -40.6 47.1 11.7 4.2 42 100 A K H << S+ 0 0 61 -3,-1.0 50,-2.5 -4,-0.8 51,-0.4 0.689 125.1 41.5-105.8 -22.2 43.9 10.6 5.8 43 101 A W E < -J 91 0B 2 -4,-2.4 2,-0.4 48,-0.2 48,-0.2 -0.937 51.7-149.0-132.4 153.2 44.0 6.8 6.0 44 102 A D E -J 90 0B 52 46,-2.9 46,-2.5 -2,-0.3 2,-0.6 -0.950 28.7-132.4-108.5 139.6 46.2 3.8 6.7 45 103 A D S S+ 0 0 16 -2,-0.4 43,-0.3 44,-0.2 2,-0.3 -0.068 79.6 58.9 -92.0 44.9 45.1 0.7 4.6 46 104 A F S S- 0 0 31 -2,-0.6 -2,-0.2 44,-0.1 4,-0.1 -0.920 94.1 -79.3-148.4 173.5 45.1 -1.7 7.6 47 105 A Y - 0 0 16 -2,-0.3 43,-0.1 4,-0.2 41,-0.1 -0.185 58.6 -96.0 -63.2 168.5 43.6 -2.3 11.0 48 106 A H S S+ 0 0 44 41,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.508 105.1 17.4 -83.4 1.9 45.1 -0.2 13.8 49 107 A N S S- 0 0 67 2,-0.3 -2,-0.2 0, 0.0 0, 0.0 -0.863 101.3 -81.1-148.0-173.1 47.5 -3.0 14.9 50 108 A A S S+ 0 0 94 -2,-0.3 -3,-0.0 -4,-0.1 -2,-0.0 0.569 82.4 122.1 -75.0 -5.7 48.8 -6.2 13.4 51 109 A W - 0 0 128 1,-0.2 -2,-0.3 7,-0.0 -4,-0.2 -0.350 54.4-150.0 -59.9 137.1 45.8 -8.3 14.1 52 110 A A - 0 0 35 1,-0.3 7,-2.5 5,-0.1 -1,-0.2 0.381 47.2 -96.0 -92.9 0.5 44.4 -9.7 10.9 53 111 A G - 0 0 12 5,-0.2 -1,-0.3 197,-0.1 2,-0.1 -0.359 42.7 -59.9 112.2 171.4 40.8 -9.9 11.9 54 112 A P S > S- 0 0 24 0, 0.0 3,-2.8 0, 0.0 197,-0.4 -0.325 89.7 -4.5 -87.5 173.4 38.2 -12.3 13.4 55 113 A G T 3 S- 0 0 22 1,-0.3 197,-0.2 195,-0.1 198,-0.1 -0.214 133.3 -19.5 55.3-134.2 36.7 -15.6 12.1 56 114 A L T 3 S+ 0 0 38 26,-0.1 28,-2.6 27,-0.1 -1,-0.3 0.342 105.8 127.9 -85.0 3.3 38.0 -16.5 8.7 57 115 A T E < +q 84 0C 3 -3,-2.8 2,-0.3 194,-0.8 28,-0.2 -0.366 30.7 174.7 -64.1 132.3 39.1 -12.8 8.1 58 116 A E E -q 85 0C 28 26,-2.3 28,-1.0 -2,-0.1 -5,-0.2 -0.815 24.5-146.6-133.1 95.8 42.7 -12.1 7.0 59 117 A W E -q 86 0C 4 -7,-2.5 2,-0.3 -2,-0.3 28,-0.2 -0.351 16.0-169.1 -63.0 148.7 42.9 -8.4 6.3 60 118 A K > - 0 0 86 26,-2.4 3,-1.5 1,-0.1 28,-0.4 -0.994 29.3-136.0-138.9 139.5 45.2 -7.2 3.4 61 119 A R G > S+ 0 0 121 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.879 106.8 56.0 -57.4 -38.6 46.5 -3.8 2.4 62 120 A D G 3 S+ 0 0 69 1,-0.2 -1,-0.3 -29,-0.1 -29,-0.1 0.229 88.2 75.0 -89.3 19.2 45.8 -4.6 -1.2 63 121 A R G < S+ 0 0 49 -3,-1.5 11,-1.7 23,-0.2 24,-0.5 0.235 89.9 66.7-107.2 7.9 42.1 -5.5 -0.8 64 122 A S E < + D 0 73A 0 -3,-1.0 2,-0.3 -32,-0.3 9,-0.2 -0.958 59.3 150.7-119.0 151.1 41.1 -1.9 -0.5 65 123 A Y E - D 0 72A 57 7,-2.6 7,-2.8 -2,-0.4 2,-0.4 -0.962 37.2-122.3-158.2 172.9 41.3 0.8 -3.2 66 124 A V E +CD 30 71A 1 -36,-2.3 -36,-2.9 -2,-0.3 2,-0.3 -0.992 42.4 144.6-128.9 125.7 39.7 4.1 -4.3 67 125 A A E > + D 0 70A 12 3,-2.2 3,-2.0 -2,-0.4 -38,-0.1 -0.991 55.3 10.2-154.8 147.6 38.2 4.4 -7.8 68 126 A D T 3 S- 0 0 127 -2,-0.3 -41,-0.1 1,-0.3 3,-0.1 0.789 129.4 -49.1 55.6 33.0 35.4 5.9 -9.8 69 127 A G T 3 S+ 0 0 10 -43,-0.3 2,-0.4 -41,-0.2 -1,-0.3 0.423 118.5 87.2 90.1 1.5 34.2 8.1 -6.8 70 128 A E E < S-D 67 0A 48 -3,-2.0 -3,-2.2 -42,-0.1 2,-0.4 -0.980 74.1-121.7-133.1 148.5 34.1 5.5 -4.0 71 129 A L E -DE 66 284A 1 213,-2.6 213,-3.0 -2,-0.4 2,-0.3 -0.737 43.7-170.4 -70.7 128.6 36.2 3.8 -1.5 72 130 A K E +DE 65 283A 37 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.3 -0.945 17.9 179.1-128.7 153.6 36.0 0.1 -2.4 73 131 A M E -DE 64 282A 1 209,-1.3 209,-2.5 -2,-0.3 2,-0.3 -0.983 11.1-173.4-151.4 132.3 37.1 -3.1 -0.6 74 132 A W E - E 0 281A 46 -11,-1.7 2,-0.4 -2,-0.3 13,-0.3 -0.841 17.1-123.5-133.9 174.7 36.6 -6.7 -1.8 75 133 A A + 0 0 1 205,-0.8 2,-0.3 -2,-0.3 11,-0.2 -0.940 23.6 171.4-123.3 134.8 37.0 -10.3 -0.7 76 134 A T E -R 85 0C 31 9,-2.3 9,-2.6 -2,-0.4 2,-0.1 -0.993 40.3-100.4-137.6 145.0 39.0 -13.3 -2.2 77 135 A R E -R 84 0C 61 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.384 40.1-116.0 -58.5 131.6 39.8 -16.8 -0.9 78 136 A K > - 0 0 65 5,-3.0 3,-1.8 -2,-0.1 -1,-0.1 -0.572 42.2-101.2 -66.5 129.4 43.3 -17.0 0.5 79 137 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.330 102.6 4.9 -59.1 135.4 45.1 -19.5 -1.7 80 138 A G T 3 S+ 0 0 95 1,-0.2 2,-0.3 2,-0.1 -2,-0.0 0.617 120.2 81.5 75.3 11.1 45.4 -23.0 0.0 81 139 A S S < S- 0 0 41 -3,-1.8 -1,-0.2 2,-0.2 -3,-0.0 -0.912 80.1-124.3-142.2 166.8 43.3 -21.9 3.0 82 140 A D S S+ 0 0 124 -2,-0.3 -1,-0.1 -5,-0.1 -26,-0.1 0.635 80.3 108.4 -84.9 -16.7 39.7 -21.4 4.3 83 141 A K - 0 0 73 -6,-0.1 -5,-3.0 -4,-0.1 2,-0.5 -0.122 62.7-140.9 -58.9 152.8 40.6 -17.8 5.2 84 142 A I E -qR 57 77C 0 -28,-2.6 -26,-2.3 -7,-0.3 2,-0.3 -0.984 7.5-142.3-119.6 118.5 39.2 -14.9 3.1 85 143 A N E +qR 58 76C 14 -9,-2.6 -9,-2.3 -2,-0.5 2,-0.3 -0.647 37.3 151.7 -74.8 133.8 41.5 -11.9 2.3 86 144 A M E -q 59 0C 0 -28,-1.0 -26,-2.4 -2,-0.3 -23,-0.2 -0.913 39.3 -81.0-157.9 173.6 39.5 -8.6 2.5 87 145 A G + 0 0 0 -24,-0.5 162,-1.5 -13,-0.3 2,-0.3 -0.473 31.8 171.4 -90.8 158.5 40.0 -4.9 3.2 88 146 A C E - 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