==== 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 01-MAY-11 3RRX . 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 . 621 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.1 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 . 3 0.5 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 . 42 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 1 2 2 3 2 0 0 2 0 2 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 5 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 1 0 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 6 A V 0 0 77 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.4 33.1 51.5 14.0 2 7 A N - 0 0 140 276,-0.0 272,-0.0 229,-0.0 276,-0.0 -0.829 360.0-159.7 -98.9 126.4 35.9 51.1 11.5 3 8 A W - 0 0 13 -2,-0.5 2,-0.1 1,-0.0 228,-0.0 -0.796 25.7-111.0 -99.1 144.3 36.6 47.7 10.0 4 9 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.419 24.5-114.5 -75.8 147.5 40.1 47.0 8.5 5 10 A Y + 0 0 137 1,-0.1 274,-0.2 -2,-0.1 275,-0.2 -0.714 40.7 170.7 -76.5 123.3 40.6 46.5 4.7 6 11 A V + 0 0 15 273,-2.4 2,-1.3 -2,-0.5 3,-0.3 0.381 47.7 94.3-123.2 3.6 41.7 42.9 4.4 7 12 A N + 0 0 16 272,-0.9 239,-0.1 1,-0.2 -1,-0.1 -0.400 48.8 135.1 -89.0 60.3 41.6 42.1 0.7 8 13 A T + 0 0 95 -2,-1.3 -1,-0.2 1,-0.1 238,-0.1 0.559 60.8 41.2 -92.7 -8.0 45.3 42.9 0.4 9 14 A K S S+ 0 0 96 237,-0.5 2,-0.3 -3,-0.3 -1,-0.1 0.861 88.4 79.6-106.1 -50.6 46.8 40.1 -1.7 10 15 A L - 0 0 24 236,-0.4 2,-0.4 235,-0.3 238,-0.1 -0.467 57.2-165.6 -70.8 124.7 44.5 39.2 -4.7 11 16 A K - 0 0 164 -2,-0.3 -3,-0.0 1,-0.0 -2,-0.0 -0.875 27.0-106.9-106.6 144.6 44.7 41.5 -7.7 12 17 A R - 0 0 131 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.281 26.7-122.8 -63.6 153.3 42.1 41.4 -10.4 13 18 A D >> - 0 0 57 1,-0.1 4,-2.5 337,-0.1 3,-0.5 -0.909 13.8-151.1-100.1 112.8 43.1 39.8 -13.8 14 19 A P H 3> S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.847 96.2 54.8 -55.5 -37.2 42.5 42.4 -16.5 15 20 A A H 3> S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.901 110.0 46.5 -62.2 -41.9 41.8 39.7 -19.1 16 21 A V H <> S+ 0 0 8 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.928 112.5 49.5 -64.5 -45.5 39.1 38.3 -16.9 17 22 A E H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.858 107.5 55.6 -64.0 -35.7 37.6 41.7 -16.2 18 23 A A H X S+ 0 0 62 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.930 108.3 48.1 -60.5 -45.5 37.6 42.4 -19.9 19 24 A Q H X S+ 0 0 79 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.892 108.9 53.1 -63.6 -43.6 35.5 39.3 -20.6 20 25 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.931 109.3 48.7 -56.0 -47.8 33.0 40.1 -17.8 21 26 A E H X S+ 0 0 81 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 110.6 50.0 -64.5 -38.9 32.4 43.6 -19.3 22 27 A K H X S+ 0 0 163 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.906 114.2 46.1 -63.9 -41.8 31.9 42.3 -22.8 23 28 A L H >X S+ 0 0 20 -4,-2.3 4,-1.1 1,-0.2 3,-0.9 0.940 112.5 48.9 -64.6 -50.0 29.4 39.7 -21.5 24 29 A L H >< S+ 0 0 8 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.906 104.1 60.4 -57.7 -44.4 27.5 42.1 -19.3 25 30 A A H 3< S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 113.9 36.0 -56.4 -28.5 27.1 44.6 -22.1 26 31 A K H << S+ 0 0 138 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.555 94.6 104.1-104.8 -9.2 25.2 42.1 -24.2 27 32 A M << - 0 0 13 -4,-1.1 2,-0.1 -3,-0.8 67,-0.0 -0.449 63.0-132.1 -77.9 146.2 23.2 40.3 -21.6 28 33 A T > - 0 0 62 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.443 30.1-105.0 -82.3 165.9 19.5 40.8 -21.0 29 34 A I H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 124.0 54.7 -53.1 -42.6 18.0 41.4 -17.6 30 35 A E H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.0 46.7 -61.4 -44.5 16.7 37.8 -17.8 31 36 A Q H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.878 112.0 51.4 -66.5 -37.3 20.1 36.4 -18.5 32 37 A K H X S+ 0 0 16 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.943 110.1 48.2 -65.4 -46.0 21.7 38.4 -15.7 33 38 A V H >X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.5 0.892 104.6 60.5 -62.4 -37.6 19.1 37.2 -13.2 34 39 A A H >< S+ 0 0 2 -4,-2.0 21,-2.2 1,-0.3 3,-1.1 0.875 99.4 56.9 -58.1 -37.6 19.6 33.6 -14.3 35 40 A Q H 3< S+ 0 0 4 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.771 105.5 52.6 -60.6 -27.7 23.2 33.8 -13.2 36 41 A M H << S+ 0 0 2 -3,-1.3 278,-3.4 -4,-0.7 2,-0.4 0.469 93.0 85.7 -90.6 -6.0 22.1 34.8 -9.7 37 42 A I E << -a 314 0A 0 -3,-1.1 19,-0.8 -4,-0.5 18,-0.4 -0.856 56.0-164.9-106.0 133.3 19.7 31.9 -9.1 38 43 A Q E -a 315 0A 1 276,-2.2 278,-1.5 -2,-0.4 19,-0.2 -0.891 4.7-170.8-123.8 102.6 20.8 28.5 -7.7 39 44 A P - 0 0 0 0, 0.0 19,-2.5 0, 0.0 2,-0.3 -0.331 21.7-123.9 -75.3 165.1 18.5 25.4 -8.0 40 45 A E B >> -b 58 0B 7 277,-2.0 3,-2.5 17,-0.2 4,-1.3 -0.891 18.4-118.5-116.9 146.9 19.2 22.1 -6.2 41 46 A I T 34 S+ 0 0 14 17,-2.3 25,-0.1 -2,-0.3 18,-0.1 0.691 108.5 67.3 -63.1 -20.9 19.5 18.7 -8.0 42 47 A G T 34 S+ 0 0 46 16,-0.2 -1,-0.3 1,-0.2 276,-0.1 0.676 118.7 23.7 -68.3 -14.1 16.6 17.2 -6.1 43 48 A Y T <4 S+ 0 0 108 -3,-2.5 2,-0.3 274,-0.2 -2,-0.2 0.495 104.3 93.0-127.1 -12.0 14.3 19.6 -7.9 44 49 A L < - 0 0 12 -4,-1.3 2,-0.3 4,-0.0 3,-0.0 -0.678 51.7-159.5 -94.8 141.4 16.1 20.6 -11.1 45 50 A T > - 0 0 68 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.821 29.4-121.3-109.6 158.3 15.8 19.0 -14.5 46 51 A V H > S+ 0 0 31 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.889 115.4 58.7 -58.7 -39.0 18.2 19.2 -17.4 47 52 A E H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 103.7 50.9 -61.0 -36.4 15.3 20.8 -19.5 48 53 A Q H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.862 108.5 51.9 -70.2 -34.6 15.1 23.6 -16.9 49 54 A M H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.893 110.5 48.5 -66.5 -39.0 18.8 24.2 -17.2 50 55 A R H < S+ 0 0 80 -4,-2.3 43,-0.5 1,-0.2 -2,-0.2 0.921 114.5 46.5 -64.5 -41.9 18.5 24.4 -21.0 51 56 A K H < S+ 0 0 103 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.876 129.5 18.8 -68.1 -40.2 15.6 26.8 -20.7 52 57 A Y H < S- 0 0 9 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.725 81.5-142.3-109.5 -30.2 17.1 29.2 -18.1 53 58 A G < - 0 0 4 -4,-2.1 -4,-0.1 -5,-0.4 -3,-0.1 0.905 25.4-154.2 66.2 42.1 20.8 28.7 -18.1 54 59 A F - 0 0 0 -6,-0.2 -19,-0.3 1,-0.1 -1,-0.1 -0.121 17.1-125.2 -49.9 143.9 21.2 29.1 -14.3 55 60 A G S S- 0 0 0 -21,-2.2 45,-0.6 -18,-0.4 2,-0.3 0.734 83.7 -9.6 -66.6 -24.4 24.6 30.4 -13.1 56 61 A S E - c 0 100B 0 -19,-0.8 2,-0.3 -22,-0.3 45,-0.2 -0.970 59.1-148.3-161.3 168.0 25.1 27.4 -10.8 57 62 A Y E - c 0 101B 5 43,-2.0 45,-2.5 -2,-0.3 2,-0.4 -0.977 21.1-118.4-146.5 158.5 23.3 24.5 -9.2 58 63 A L E -bc 40 102B 7 -19,-2.5 -17,-2.3 -2,-0.3 2,-1.2 -0.832 5.4-148.3-110.9 132.7 23.7 22.7 -5.8 59 64 A N E - c 0 103B 2 43,-3.1 45,-0.6 -2,-0.4 52,-0.1 -0.800 25.3-172.4 -82.2 91.5 24.6 19.2 -4.8 60 65 A G - 0 0 25 -2,-1.2 -1,-0.2 1,-0.1 4,-0.1 0.756 30.2-127.3 -69.0 -24.9 22.3 19.4 -1.7 61 66 A G S S+ 0 0 17 2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.212 85.2 99.3 104.0 -13.5 23.6 16.1 -0.4 62 67 A N S S+ 0 0 150 1,-0.2 2,-0.3 368,-0.1 -3,-0.0 0.770 92.8 17.4 -78.1 -26.0 20.3 14.3 0.1 63 68 A T S S- 0 0 55 0, 0.0 -2,-0.5 0, 0.0 6,-0.2 -0.993 72.6-124.6-143.0 149.7 20.6 12.4 -3.1 64 69 A A > - 0 0 8 4,-2.4 3,-1.7 -2,-0.3 6,-0.1 -0.438 60.1 -66.4 -79.0 166.3 23.2 11.4 -5.6 65 70 A P G > S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.218 123.1 17.7 -56.7 144.1 22.6 12.4 -9.3 66 71 A Y G 3 S- 0 0 101 1,-0.3 -2,-0.0 -25,-0.1 -24,-0.0 0.491 131.4 -71.6 72.6 3.9 19.7 10.6 -11.0 67 72 A G G < S+ 0 0 53 -3,-1.7 -1,-0.3 1,-0.3 -3,-0.1 0.316 92.4 142.4 95.6 -8.8 18.3 9.6 -7.6 68 73 A N < - 0 0 72 -3,-1.2 -4,-2.4 1,-0.1 -1,-0.3 -0.194 47.4-148.3 -54.7 155.2 21.0 7.0 -6.8 69 74 A K S S+ 0 0 162 1,-0.4 2,-0.4 -6,-0.2 44,-0.3 0.735 91.1 21.9 -90.9 -34.8 22.1 6.8 -3.2 70 75 A R S S- 0 0 95 -6,-0.1 -1,-0.4 42,-0.1 2,-0.3 -0.978 78.2-175.6-131.0 142.8 25.6 5.8 -4.4 71 76 A A - 0 0 28 -2,-0.4 -5,-0.0 42,-0.2 5,-0.0 -0.998 25.8-115.6-147.3 139.8 27.0 6.4 -7.9 72 77 A D >> - 0 0 113 -2,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.198 38.7-108.4 -58.3 157.3 30.1 5.6 -9.9 73 78 A Q H 3> S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 121.1 60.4 -57.8 -38.0 32.4 8.5 -10.9 74 79 A A H 3> S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 104.0 50.3 -59.8 -32.2 31.1 8.0 -14.5 75 80 A T H <> S+ 0 0 31 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.927 110.1 47.7 -74.6 -44.9 27.6 8.7 -13.3 76 81 A W H X S+ 0 0 13 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.934 115.3 46.8 -55.0 -47.6 28.6 11.9 -11.4 77 82 A L H X S+ 0 0 13 -4,-2.8 4,-2.5 2,-0.2 287,-0.4 0.819 108.5 54.3 -70.2 -31.5 30.5 13.0 -14.5 78 83 A K H X S+ 0 0 120 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.923 110.5 46.7 -64.9 -44.2 27.6 12.1 -16.9 79 84 A Y H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.923 112.2 50.5 -61.6 -44.6 25.3 14.3 -14.8 80 85 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 110.3 50.2 -61.2 -42.5 27.8 17.1 -14.8 81 86 A D H X S+ 0 0 21 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.911 108.5 52.3 -60.9 -44.8 28.2 16.9 -18.6 82 87 A E H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.946 113.6 42.2 -60.0 -49.5 24.5 17.0 -19.1 83 88 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 114.1 52.5 -62.9 -42.1 24.1 20.2 -17.1 84 89 A Y H X S+ 0 0 29 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.932 112.9 44.0 -58.6 -46.4 27.2 21.7 -18.6 85 90 A L H X S+ 0 0 87 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.862 110.6 54.0 -70.5 -36.3 25.9 21.1 -22.1 86 91 A A H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.905 111.2 47.1 -62.1 -41.0 22.4 22.3 -21.3 87 92 A A H < S+ 0 0 1 -4,-2.2 10,-0.5 1,-0.2 -2,-0.2 0.819 110.6 51.6 -69.0 -32.7 23.9 25.5 -20.0 88 93 A M H < S+ 0 0 61 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.2 0.571 87.4 96.7 -83.4 -7.6 26.1 25.9 -23.1 89 94 A D < - 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