==== 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 1O4Z . COMPND 2 MOLECULE: BETA-AGARASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR J.ALLOUCH,M.JAM,W.HELBERT,T.BARBEYRON,B.KLOAREG,B.HENRISSAT, . 1185 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 63.2 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 . 408 34.4 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 . 2 0.2 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 . 112 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 10.7 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 6 10 8 10 10 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 . 4 4 0 0 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 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 0 123 0, 0.0 3,-1.9 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 142.3 6.4 16.8 51.5 2 60 A W G >4 + 0 0 27 1,-0.3 3,-0.5 2,-0.2 286,-0.0 0.800 360.0 51.0 -53.0 -30.9 5.4 14.7 48.4 3 61 A K G 34 S+ 0 0 103 1,-0.2 -1,-0.3 16,-0.0 16,-0.1 0.634 100.1 64.4 -81.7 -15.8 4.8 17.9 46.4 4 62 A D G <4 S+ 0 0 121 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.635 78.5 103.2 -73.9 -16.3 8.3 19.3 47.4 5 63 A I S << S- 0 0 48 -4,-0.7 200,-0.0 -3,-0.5 -3,-0.0 -0.559 78.5-120.6 -76.2 124.6 10.0 16.4 45.5 6 64 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.287 19.1-122.2 -56.8 145.0 11.4 17.6 42.1 7 65 A V - 0 0 24 1,-0.1 4,-0.1 2,-0.1 10,-0.1 -0.823 19.1-150.0 -86.2 131.9 10.1 15.8 39.1 8 66 A P + 0 0 44 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.639 67.0 88.7 -83.1 -16.8 13.2 14.4 37.3 9 67 A A S S- 0 0 6 1,-0.1 2,-0.7 191,-0.1 -2,-0.1 -0.428 85.8-106.5 -79.6 162.0 11.9 14.6 33.7 10 68 A D - 0 0 126 1,-0.1 6,-0.1 -2,-0.1 -1,-0.1 -0.783 20.9-162.1 -99.2 110.6 12.4 17.7 31.6 11 69 A A - 0 0 14 -2,-0.7 5,-0.2 1,-0.2 -1,-0.1 0.690 47.1-114.3 -64.7 -22.2 9.1 19.7 31.1 12 70 A G > - 0 0 28 3,-0.2 3,-1.7 280,-0.0 -1,-0.2 -0.441 52.8 -24.2 110.3 179.5 10.6 21.5 28.1 13 71 A P T 3 S- 0 0 124 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.420 130.9 -4.6 -74.6 130.0 11.7 25.1 27.2 14 72 A N T 3 S+ 0 0 102 1,-0.2 281,-2.4 -2,-0.2 2,-0.3 0.790 110.6 124.1 53.7 35.1 9.8 27.7 29.3 15 73 A M E < -A 294 0A 49 -3,-1.7 2,-0.3 279,-0.2 -1,-0.2 -0.849 40.6-169.4-119.2 155.7 7.7 24.9 30.9 16 74 A K E -A 293 0A 118 277,-2.4 277,-2.6 -2,-0.3 2,-0.5 -0.930 31.1-101.0-134.0 165.3 7.0 23.8 34.4 17 75 A W E -A 292 0A 49 -2,-0.3 2,-0.6 275,-0.2 -10,-0.0 -0.760 31.2-155.5 -91.3 124.5 5.4 20.8 36.0 18 76 A E E -A 291 0A 90 273,-2.9 273,-1.8 -2,-0.5 2,-0.0 -0.889 17.4-125.6-105.4 117.6 1.8 21.3 37.2 19 77 A F E -A 290 0A 39 -2,-0.6 2,-0.4 271,-0.2 271,-0.2 -0.327 22.6-138.8 -55.3 132.6 0.5 19.0 40.0 20 78 A Q > - 0 0 49 269,-2.6 3,-1.7 1,-0.1 269,-0.4 -0.849 6.7-137.5 -99.7 136.2 -2.8 17.3 39.0 21 79 A E T 3 S+ 0 0 140 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.663 97.9 74.9 -71.6 -15.5 -5.5 17.0 41.7 22 80 A I T 3 S+ 0 0 46 267,-0.1 -1,-0.3 2,-0.1 71,-0.1 0.606 75.1 107.6 -70.0 -11.2 -6.2 13.4 40.7 23 81 A S < - 0 0 1 -3,-1.7 2,-0.3 266,-0.2 265,-0.2 -0.246 58.7-157.6 -55.0 156.1 -3.0 12.6 42.5 24 82 A D B -B 287 0A 5 263,-2.5 263,-2.2 1,-0.1 -2,-0.1 -0.958 31.2-178.0-150.8 124.8 -3.5 10.8 45.9 25 83 A N - 0 0 47 -2,-0.3 -1,-0.1 261,-0.2 263,-0.1 0.223 44.0-130.4-103.6 10.8 -1.4 10.5 49.0 26 84 A F + 0 0 0 1,-0.2 43,-0.3 261,-0.1 4,-0.1 0.813 51.8 152.5 51.4 42.3 -4.1 8.3 50.7 27 85 A E + 0 0 126 42,-0.1 2,-0.2 41,-0.1 -1,-0.2 -0.089 51.0 76.8 -94.3 33.1 -4.1 10.3 54.0 28 86 A Y S S- 0 0 20 2,-0.0 2,-0.4 39,-0.0 41,-0.3 -0.737 85.1-102.4-127.3 178.2 -7.8 9.2 54.7 29 87 A E + 0 0 79 -2,-0.2 10,-0.2 38,-0.1 38,-0.2 -0.911 34.2 171.3-106.9 135.9 -9.5 6.1 55.9 30 88 A A B -C 66 0A 1 36,-2.2 36,-1.9 -2,-0.4 5,-0.2 -0.769 25.3-142.4-142.0 92.8 -11.2 3.7 53.5 31 89 A P > - 0 0 56 0, 0.0 3,-0.8 0, 0.0 33,-0.1 -0.249 23.2-117.2 -56.2 145.9 -12.4 0.4 55.0 32 90 A A T 3 S+ 0 0 22 1,-0.3 3,-0.3 30,-0.1 32,-0.3 0.847 111.6 34.2 -57.4 -44.2 -12.0 -2.5 52.6 33 91 A D T 3 S+ 0 0 144 1,-0.2 -1,-0.3 29,-0.1 2,-0.1 0.470 130.7 33.8 -93.4 -3.4 -15.7 -3.4 52.4 34 92 A N < + 0 0 111 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.606 68.7 179.4-150.4 84.4 -17.0 0.2 52.6 35 93 A K - 0 0 7 -3,-0.3 4,-0.4 -5,-0.2 3,-0.2 0.834 28.3-146.9 -66.1 -40.4 -14.5 2.5 51.0 36 94 A G > - 0 0 14 1,-0.1 4,-1.9 -6,-0.1 -1,-0.1 -0.190 29.9 -65.0 92.7 174.2 -16.2 5.9 51.5 37 95 A S H > S+ 0 0 27 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.804 122.5 58.0 -75.1 -35.6 -16.5 9.1 49.5 38 96 A E H > S+ 0 0 95 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.938 113.5 40.6 -61.2 -47.1 -12.9 10.3 49.6 39 97 A F H >> S+ 0 0 0 -4,-0.4 4,-2.5 -10,-0.2 3,-1.0 0.937 114.1 53.3 -62.2 -47.0 -11.6 7.1 48.0 40 98 A L H 3< S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.622 95.3 66.5 -75.3 -13.9 -14.5 6.8 45.5 41 99 A E H 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.848 121.5 19.3 -69.8 -31.7 -14.1 10.3 44.1 42 100 A K H << S+ 0 0 50 -3,-1.0 50,-2.3 -4,-0.6 51,-0.5 0.683 125.7 42.8-107.5 -24.7 -10.7 9.3 42.6 43 101 A W E < -J 91 0B 2 -4,-2.5 2,-0.4 48,-0.2 48,-0.2 -0.940 51.1-152.5-136.0 143.1 -10.8 5.5 42.5 44 102 A D E -J 90 0B 53 46,-2.8 46,-2.6 -2,-0.3 2,-0.7 -0.965 27.8-134.3-102.8 132.3 -13.0 2.4 41.7 45 103 A D S S+ 0 0 14 -2,-0.4 2,-0.3 44,-0.2 43,-0.2 -0.107 80.0 57.0 -86.7 41.0 -11.9 -0.7 43.8 46 104 A F S S- 0 0 30 -2,-0.7 -2,-0.2 44,-0.1 44,-0.1 -0.896 95.5 -78.2-144.5 178.2 -12.0 -3.1 40.9 47 105 A Y - 0 0 17 4,-0.3 43,-0.1 -2,-0.3 41,-0.1 -0.335 56.7 -97.3 -67.9 161.9 -10.4 -3.6 37.4 48 106 A H S S+ 0 0 44 41,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.468 107.2 22.8 -76.5 -2.2 -11.9 -1.5 34.6 49 107 A N S S- 0 0 65 2,-0.2 -2,-0.3 0, 0.0 0, 0.0 -0.859 101.4 -86.8-139.4-174.1 -14.2 -4.3 33.4 50 108 A A S S+ 0 0 94 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.1 0.389 80.4 125.7 -80.2 2.0 -15.6 -7.4 35.2 51 109 A W - 0 0 124 1,-0.1 -4,-0.3 7,-0.0 -2,-0.2 -0.450 51.7-153.4 -56.0 131.3 -12.5 -9.6 34.3 52 110 A A - 0 0 35 1,-0.3 7,-2.5 -2,-0.1 -1,-0.1 0.397 48.1 -98.9 -96.8 -0.1 -11.3 -11.0 37.6 53 111 A G - 0 0 14 5,-0.2 -1,-0.3 197,-0.1 2,-0.1 -0.343 40.9 -51.4 116.3 175.6 -7.7 -11.4 36.4 54 112 A P S > S- 0 0 25 0, 0.0 3,-2.4 0, 0.0 197,-0.4 -0.296 91.8 -12.6 -84.6 168.0 -5.0 -13.6 35.0 55 113 A G T 3 S- 0 0 25 1,-0.3 197,-0.2 195,-0.1 198,-0.1 -0.116 132.9 -15.3 44.4-127.9 -3.7 -17.0 36.2 56 114 A L T 3 S+ 0 0 40 196,-0.1 28,-2.8 27,-0.1 -1,-0.3 0.378 104.1 127.1 -85.7 2.2 -4.9 -17.8 39.7 57 115 A T E < +r 84 0C 4 -3,-2.4 2,-0.3 194,-0.7 28,-0.2 -0.372 31.1 174.6 -65.0 132.8 -6.0 -14.2 40.3 58 116 A E E -r 85 0C 29 26,-2.2 28,-1.0 -2,-0.1 -5,-0.2 -0.788 24.7-147.8-134.8 94.2 -9.5 -13.4 41.5 59 117 A W E -r 86 0C 2 -7,-2.5 2,-0.3 -2,-0.3 28,-0.2 -0.245 16.0-169.7 -63.7 146.7 -9.7 -9.7 42.2 60 118 A K > - 0 0 83 26,-2.4 3,-1.3 1,-0.1 28,-0.4 -0.997 29.8-136.5-142.1 139.9 -12.0 -8.5 44.9 61 119 A R G > S+ 0 0 124 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.866 106.1 56.9 -58.6 -40.2 -13.2 -5.1 46.0 62 120 A D G 3 S+ 0 0 64 1,-0.2 -1,-0.3 -29,-0.1 -29,-0.1 0.192 89.0 74.2 -85.8 15.3 -12.7 -6.0 49.6 63 121 A R G < S+ 0 0 49 -3,-1.3 11,-1.8 23,-0.2 24,-0.5 0.257 90.6 66.8-106.3 9.1 -9.0 -6.8 49.2 64 122 A S E < + D 0 73A 0 -3,-1.2 2,-0.3 -32,-0.3 9,-0.2 -0.937 58.7 146.8-120.2 152.4 -8.0 -3.2 48.9 65 123 A Y E - D 0 72A 61 7,-2.4 7,-3.1 -2,-0.3 2,-0.4 -0.964 36.9-123.5-163.3 169.0 -8.2 -0.5 51.6 66 124 A V E +CD 30 71A 2 -36,-1.9 -36,-2.2 -2,-0.3 2,-0.3 -0.995 39.6 142.5-129.1 132.5 -6.5 2.6 52.8 67 125 A A E > + D 0 70A 12 3,-2.1 3,-1.5 -2,-0.4 -38,-0.1 -0.975 56.9 18.5-158.1 149.3 -5.1 3.1 56.3 68 126 A D T 3 S- 0 0 125 -2,-0.3 -41,-0.1 1,-0.3 3,-0.1 0.825 130.3 -52.4 58.8 35.5 -2.2 4.7 58.1 69 127 A G T 3 S+ 0 0 8 -41,-0.3 2,-0.3 -43,-0.3 -1,-0.3 0.516 117.8 94.3 84.1 8.4 -1.3 7.0 55.1 70 128 A E E < S-D 67 0A 45 -3,-1.5 -3,-2.1 -42,-0.1 2,-0.5 -0.977 72.9-124.1-135.8 143.9 -1.2 4.2 52.5 71 129 A L E -DE 66 284A 1 213,-2.6 213,-2.7 -2,-0.3 2,-0.3 -0.747 43.2-167.2 -71.1 127.1 -3.2 2.4 49.9 72 130 A K E +DE 65 283A 38 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.3 -0.926 16.2 179.5-127.7 154.3 -2.9 -1.2 50.9 73 131 A M E -DE 64 282A 1 209,-1.1 209,-2.8 -2,-0.3 2,-0.3 -0.979 7.9-174.4-157.4 125.6 -3.8 -4.4 49.1 74 132 A W E - 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