==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-11 3USZ . COMPND 2 MOLECULE: EXO-1,3/1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS SP.; . AUTHOR Y.NAKATANI,S.M.CUTFIELD,J.F.CUTFIELD . 622 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 40 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 1 2 1 4 2 0 0 1 1 1 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 5 1 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 PARALLEL BRIDGES PER LADDER . 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 5 A Q 0 0 180 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.4 -3.1 54.9 13.9 2 6 A V - 0 0 25 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.752 360.0-142.3 -89.8 130.8 -1.0 51.6 14.1 3 7 A N - 0 0 120 -2,-0.4 272,-0.0 276,-0.0 -1,-0.0 -0.827 10.8-160.2 -98.3 127.2 1.8 51.3 11.7 4 8 A W - 0 0 15 -2,-0.5 2,-0.1 1,-0.0 228,-0.0 -0.813 25.4-109.7-100.9 147.1 2.5 47.9 10.1 5 9 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.426 24.7-114.9 -75.5 149.0 6.0 47.1 8.6 6 10 A Y + 0 0 137 1,-0.1 274,-0.2 -2,-0.1 275,-0.2 -0.734 40.3 171.1 -78.7 124.5 6.5 46.7 4.8 7 11 A V + 0 0 14 273,-2.5 2,-1.0 -2,-0.5 3,-0.2 0.334 47.2 94.2-125.8 7.1 7.6 43.1 4.4 8 12 A N + 0 0 14 272,-0.8 239,-0.1 1,-0.2 -1,-0.1 -0.450 48.3 134.9 -92.6 61.6 7.6 42.3 0.7 9 13 A T + 0 0 77 -2,-1.0 -1,-0.2 1,-0.1 238,-0.1 0.528 61.1 41.2 -94.0 -7.7 11.3 43.1 0.4 10 14 A K S S+ 0 0 95 237,-0.5 2,-0.3 -3,-0.2 238,-0.1 0.842 88.6 79.8-106.9 -49.5 12.7 40.2 -1.7 11 15 A L - 0 0 21 236,-0.4 2,-0.4 235,-0.3 238,-0.1 -0.488 57.6-166.5 -69.8 124.1 10.4 39.3 -4.6 12 16 A K - 0 0 131 -2,-0.3 -3,-0.0 1,-0.0 -2,-0.0 -0.897 27.1-107.6-107.7 140.7 10.7 41.6 -7.6 13 17 A R - 0 0 133 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.229 25.5-122.2 -62.2 154.6 8.1 41.5 -10.4 14 18 A D >> - 0 0 57 1,-0.1 4,-2.2 337,-0.1 3,-0.7 -0.914 14.3-152.8-101.6 113.3 9.0 40.0 -13.8 15 19 A P H 3> S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.824 95.6 54.5 -56.4 -39.7 8.4 42.6 -16.6 16 20 A A H 3> S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.878 109.6 48.2 -60.8 -39.5 7.7 40.0 -19.2 17 21 A V H <> S+ 0 0 10 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.921 111.7 49.1 -66.9 -44.0 5.0 38.5 -16.9 18 22 A E H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.869 107.5 55.3 -64.3 -37.6 3.5 41.9 -16.3 19 23 A A H X S+ 0 0 63 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.920 108.6 48.3 -60.9 -44.4 3.4 42.7 -20.1 20 24 A Q H X S+ 0 0 76 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.915 110.7 50.9 -60.1 -48.5 1.5 39.5 -20.7 21 25 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.938 111.1 47.2 -54.3 -51.5 -1.0 40.3 -18.0 22 26 A E H X S+ 0 0 82 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.917 113.3 49.4 -60.2 -40.7 -1.6 43.8 -19.3 23 27 A K H X S+ 0 0 142 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.944 114.2 45.1 -60.9 -50.6 -2.1 42.4 -22.8 24 28 A L H >X S+ 0 0 20 -4,-3.1 4,-0.8 1,-0.2 3,-0.7 0.906 113.0 49.9 -57.7 -47.9 -4.5 39.8 -21.6 25 29 A L H >< S+ 0 0 9 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.867 103.3 60.5 -62.4 -39.2 -6.5 42.2 -19.4 26 30 A A H 3< S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 111.9 38.6 -61.4 -28.2 -6.9 44.7 -22.3 27 31 A K H << S+ 0 0 120 -4,-0.9 -1,-0.2 -3,-0.7 2,-0.2 0.559 95.2 104.5 -99.7 -8.5 -8.7 42.2 -24.4 28 32 A M << - 0 0 13 -4,-0.8 2,-0.1 -3,-0.6 68,-0.0 -0.493 61.4-136.1 -82.9 142.6 -10.8 40.5 -21.7 29 33 A T > - 0 0 63 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.370 32.3-103.1 -79.5 168.3 -14.5 41.1 -21.1 30 34 A I H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 123.6 54.5 -54.3 -42.3 -16.1 41.5 -17.7 31 35 A E H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 107.7 47.2 -62.8 -42.5 -17.3 37.9 -17.9 32 36 A Q H > S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.871 111.9 51.9 -68.9 -35.4 -13.8 36.5 -18.6 33 37 A K H X S+ 0 0 15 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.940 110.3 46.5 -64.9 -48.4 -12.4 38.6 -15.8 34 38 A V H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.5 0.853 104.7 62.2 -63.5 -34.5 -14.9 37.3 -13.2 35 39 A A H >< S+ 0 0 2 -4,-1.8 21,-2.0 1,-0.3 3,-1.3 0.900 98.9 56.5 -58.0 -39.7 -14.4 33.7 -14.4 36 40 A Q H 3< S+ 0 0 3 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.748 105.4 52.7 -62.0 -25.1 -10.8 34.0 -13.3 37 41 A M T << S+ 0 0 2 -3,-1.1 278,-3.1 -4,-0.6 2,-0.4 0.464 92.9 85.8 -92.1 -6.7 -11.9 34.9 -9.8 38 42 A I E < -a 315 0A 0 -3,-1.3 19,-0.8 -4,-0.5 18,-0.4 -0.845 55.9-164.7-106.8 134.1 -14.3 32.0 -9.1 39 43 A Q E -a 316 0A 1 276,-2.1 278,-1.4 -2,-0.4 19,-0.2 -0.889 4.3-171.1-125.6 103.4 -13.3 28.6 -7.8 40 44 A P - 0 0 0 0, 0.0 19,-2.4 0, 0.0 2,-0.4 -0.334 21.8-123.7 -76.6 165.7 -15.6 25.5 -8.0 41 45 A E B >> -b 59 0B 5 277,-2.1 3,-2.5 17,-0.2 4,-1.0 -0.912 18.1-118.4-117.3 145.6 -14.8 22.2 -6.3 42 46 A I T 34 S+ 0 0 11 17,-2.3 25,-0.1 -2,-0.4 18,-0.1 0.698 107.9 67.9 -58.8 -23.3 -14.6 18.8 -8.0 43 47 A G T 34 S+ 0 0 34 16,-0.2 -1,-0.3 1,-0.2 276,-0.1 0.650 118.6 22.3 -66.4 -13.0 -17.5 17.3 -6.1 44 48 A Y T <4 S+ 0 0 109 -3,-2.5 2,-0.4 274,-0.2 -2,-0.2 0.393 103.8 96.4-131.1 -6.1 -19.8 19.7 -7.9 45 49 A L < - 0 0 12 -4,-1.0 2,-0.3 4,-0.0 274,-0.0 -0.737 50.3-161.1 -99.2 138.1 -18.0 20.7 -11.1 46 50 A T > - 0 0 66 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.811 29.5-121.5-108.4 158.9 -18.3 19.2 -14.6 47 51 A V H > S+ 0 0 32 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.839 114.7 58.0 -60.9 -35.6 -15.9 19.4 -17.5 48 52 A E H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 104.2 51.0 -64.4 -40.2 -18.8 20.9 -19.5 49 53 A Q H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.906 109.0 51.2 -62.4 -40.5 -19.0 23.7 -17.0 50 54 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.884 110.8 48.2 -64.3 -37.9 -15.3 24.3 -17.2 51 55 A R H < S+ 0 0 84 -4,-2.1 43,-0.5 1,-0.2 42,-0.5 0.902 114.2 47.7 -67.4 -39.6 -15.5 24.5 -21.0 52 56 A K H < S+ 0 0 101 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.882 129.0 18.2 -69.0 -40.8 -18.5 26.9 -20.7 53 57 A Y H < S- 0 0 8 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.745 82.3-142.2-107.6 -29.3 -17.0 29.3 -18.1 54 58 A G < - 0 0 2 -4,-2.0 -4,-0.1 -5,-0.4 -3,-0.1 0.943 25.2-152.8 63.9 50.0 -13.2 28.8 -18.1 55 59 A F - 0 0 0 -6,-0.1 -19,-0.3 1,-0.1 46,-0.1 -0.179 16.7-124.8 -55.5 145.3 -12.8 29.2 -14.3 56 60 A G S S- 0 0 0 -21,-2.0 45,-0.6 -18,-0.4 2,-0.3 0.743 84.4 -10.7 -64.9 -25.8 -9.5 30.5 -13.1 57 61 A S E - c 0 101B 0 -19,-0.8 2,-0.3 -22,-0.3 45,-0.2 -0.976 58.6-147.2-163.0 165.5 -9.0 27.6 -10.8 58 62 A Y E - c 0 102B 5 43,-2.1 45,-2.5 -2,-0.3 2,-0.4 -0.976 21.7-119.4-143.4 158.2 -10.7 24.6 -9.2 59 63 A L E -bc 41 103B 7 -19,-2.4 -17,-2.3 -2,-0.3 2,-1.1 -0.824 5.0-149.6-110.6 133.3 -10.4 22.8 -5.9 60 64 A N E - c 0 104B 2 43,-3.2 45,-0.6 -2,-0.4 52,-0.1 -0.823 22.6-175.8 -85.4 94.3 -9.5 19.3 -4.7 61 65 A G - 0 0 29 -2,-1.1 -1,-0.2 43,-0.1 43,-0.1 0.679 31.7-129.8 -73.1 -18.6 -11.6 19.4 -1.6 62 66 A G S S+ 0 0 17 -3,-0.1 -1,-0.1 1,-0.0 -2,-0.1 0.374 88.0 89.0 90.4 -3.6 -10.4 16.0 -0.5 63 67 A N S S+ 0 0 139 368,-0.1 -3,-0.0 369,-0.0 -1,-0.0 0.626 95.8 28.7 -97.0 -15.4 -13.8 14.5 0.1 64 68 A T S S- 0 0 50 5,-0.0 -4,-0.0 6,-0.0 -1,-0.0 0.846 80.0-152.3-115.1 -50.6 -14.4 13.1 -3.3 65 69 A A > - 0 0 14 2,-0.1 3,-2.0 3,-0.1 6,-0.1 0.380 51.1 -48.8 68.7 147.1 -11.3 12.2 -5.4 66 70 A P G > S- 0 0 1 0, 0.0 3,-1.0 0, 0.0 11,-0.0 -0.179 126.9 -0.2 -58.6 130.9 -11.3 12.3 -9.2 67 71 A Y G 3 S- 0 0 89 1,-0.2 3,-0.1 -25,-0.1 -2,-0.1 0.641 122.2 -75.5 66.5 18.3 -14.3 10.6 -10.9 68 72 A G G < S+ 0 0 47 -3,-2.0 2,-0.6 1,-0.2 -1,-0.2 0.309 91.5 141.7 81.9 -10.0 -15.7 9.6 -7.4 69 73 A N < - 0 0 89 -3,-1.0 -1,-0.2 1,-0.2 -5,-0.0 -0.576 48.3-145.8 -73.8 112.6 -13.2 6.8 -7.0 70 74 A K S S+ 0 0 183 -2,-0.6 2,-0.4 -3,-0.1 44,-0.3 0.829 88.9 22.9 -43.5 -49.2 -12.1 6.8 -3.3 71 75 A R S S- 0 0 115 -6,-0.1 2,-0.3 42,-0.1 -1,-0.1 -0.948 81.4-175.5-119.8 144.2 -8.6 5.7 -4.2 72 76 A A - 0 0 30 -2,-0.4 5,-0.0 42,-0.2 -5,-0.0 -0.997 24.7-113.8-149.8 140.7 -7.1 6.4 -7.7 73 77 A D >> - 0 0 113 -2,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.146 37.6-108.1 -57.8 156.1 -4.0 5.7 -9.8 74 78 A Q H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 120.5 58.1 -54.2 -38.1 -1.7 8.5 -10.9 75 79 A A H 3> S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.815 104.6 51.3 -65.8 -31.0 -3.0 8.1 -14.5 76 80 A T H <> S+ 0 0 38 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.912 109.9 47.9 -71.3 -45.2 -6.5 8.7 -13.3 77 81 A W H X S+ 0 0 13 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.943 115.0 46.3 -57.7 -47.8 -5.5 11.9 -11.4 78 82 A L H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 287,-0.4 0.798 108.3 55.7 -70.4 -29.1 -3.6 13.1 -14.5 79 83 A K H X S+ 0 0 119 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.903 109.8 46.7 -66.8 -41.6 -6.5 12.2 -16.9 80 84 A Y H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.949 112.2 50.0 -62.3 -49.9 -8.8 14.4 -14.8 81 85 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.885 111.7 49.1 -57.3 -42.3 -6.3 17.3 -14.8 82 86 A D H X S+ 0 0 21 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.922 108.9 52.4 -63.1 -46.7 -5.8 17.0 -18.5 83 87 A E H X S+ 0 0 73 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.918 114.1 42.7 -57.4 -45.1 -9.6 17.0 -19.1 84 88 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.904 113.7 52.2 -67.4 -41.3 -10.0 20.2 -17.1 85 89 A Y H X S+ 0 0 28 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.914 112.5 44.5 -59.9 -46.0 -6.9 21.8 -18.6 86 90 A L H < S+ 0 0 88 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.861 109.4 56.2 -68.9 -35.8 -8.2 21.2 -22.2 87 91 A A H < S+ 0 0 0 -4,-1.9 3,-0.5 -5,-0.3 -1,-0.2 0.891 111.4 44.4 -62.5 -38.0 -11.7 22.4 -21.3 88 92 A A H < S+ 0 0 1 -4,-1.9 10,-0.4 1,-0.2 -1,-0.2 0.702 109.3 55.0 -79.2 -22.5 -10.2 25.7 -20.1 89 93 A M S < S+ 0 0 62 -4,-1.3 2,-0.9 -5,-0.2 -1,-0.2 0.490 87.9 96.0 -86.1 -1.8 -7.9 25.9 -23.2 90 94 A D - 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d 0 154B 28 -45,-0.6 2,-0.5 -2,-0.3 7,-0.5 -0.715 23.5-163.2 -83.7 134.6 -5.0 21.9 1.0 106 110 A A + 0 0 6 48,-1.9 3,-0.4 -2,-0.4 4,-0.2 -0.732 17.5 167.6-120.2 81.3 -1.7 20.4 2.3 107 111 A M S S- 0 0 11 -2,-0.5 15,-0.3 1,-0.2 -1,-0.1 0.800 83.0 -12.7 -70.1 -34.1 -2.2 20.1 6.1 108 112 A H S S- 0 0 9 1,-1.0 11,-2.0 320,-0.1 -1,-0.2 -0.308 134.4 -32.9-163.5 67.7 0.8 17.8 6.8 109 113 A G S S- 0 0 3 -3,-0.4 2,-2.4 9,-0.2 -1,-1.0 -0.591 115.9 -35.5 97.2-172.3 2.0 16.6 3.5 110 114 A H S > S+ 0 0 0 7,-0.3 3,-1.6 -2,-0.2 6,-0.2 -0.433 84.7 171.6 -78.7 68.3 -0.5 16.0 0.6 111 115 A S T 3 + 0 0 3 -2,-2.4 319,-3.5 1,-0.3 -1,-0.2 0.498 57.2 56.0 -79.3 -11.6 -2.8 14.8 3.3 112 116 A N T 3 S+ 0 0 31 -7,-0.5 2,-0.5 317,-0.2 -1,-0.3 0.551 90.1 93.2 -90.2 -2.2 -6.2 14.3 1.7 113 117 A V S X S- 0 0 4 -3,-1.6 3,-2.2 1,-0.0 -42,-0.1 -0.771 81.5-118.2 -98.4 123.7 -4.8 11.9 -0.9 114 118 A Y T 3 S+ 0 0 70 -2,-0.5 -42,-0.2 -44,-0.3 328,-0.1 -0.317 101.2 22.3 -52.7 126.9 -4.7 8.1 -0.3 115 119 A G T 3 S+ 0 0 18 326,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.326 90.0 136.3 96.8 -7.7 -1.1 6.9 -0.2 116 120 A A < - 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