==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-12 3VNY . COMPND 2 MOLECULE: BETA-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDOBACTERIUM CAPSULATUM; . AUTHOR M.MOMMA,Z.FUJIMOTO,M.MICHIKAWA,H.ICHINOSE,M.YOSHIDA,Y.KOTAKE . 466 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 13.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 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 . 31 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 1 0 0 1 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 0 3 1 2 1 1 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 . 2 0 0 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 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 18 A S 0 0 166 0, 0.0 385,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 135.9 26.8 8.6 74.7 2 19 A P - 0 0 39 0, 0.0 2,-0.6 0, 0.0 385,-0.3 -0.312 360.0-106.3 -70.4 153.4 25.0 8.0 71.4 3 20 A V E -a 387 0A 32 383,-2.7 385,-2.5 355,-0.1 2,-0.7 -0.724 36.5-136.4 -75.5 121.4 23.7 10.7 69.2 4 21 A R E +a 388 0A 178 -2,-0.6 2,-0.3 383,-0.2 385,-0.2 -0.749 32.8 171.0 -88.6 113.9 19.9 10.6 69.6 5 22 A V E -a 389 0A 3 383,-2.4 385,-2.9 -2,-0.7 2,-0.4 -0.825 26.3-129.5-120.5 157.3 18.1 11.0 66.3 6 23 A G E -aB 390 354A 12 348,-2.4 348,-2.3 -2,-0.3 2,-0.5 -0.875 12.2-166.1-106.7 141.2 14.5 10.7 65.2 7 24 A L E -aB 391 353A 2 383,-3.0 385,-2.7 -2,-0.4 2,-0.7 -0.960 6.7-166.2-125.0 112.9 13.2 8.6 62.3 8 25 A S E -aB 392 352A 63 344,-2.6 344,-2.2 -2,-0.5 2,-0.4 -0.881 4.9-159.8-103.0 109.5 9.7 9.3 61.3 9 26 A V E - B 0 351A 7 383,-2.7 2,-0.5 -2,-0.7 342,-0.3 -0.742 3.0-165.7 -88.0 132.5 8.2 6.7 58.9 10 27 A D E > - B 0 350A 73 340,-2.9 3,-1.8 -2,-0.4 340,-1.3 -0.870 9.9-175.8-123.8 96.5 5.2 7.9 56.9 11 28 A A E 3 S+ 0 0 62 -2,-0.5 -1,-0.1 382,-0.4 340,-0.0 0.621 84.7 61.9 -65.6 -14.6 3.3 5.0 55.3 12 29 A S E 3 S+ 0 0 101 1,-0.1 2,-1.0 -3,-0.1 -1,-0.3 0.571 87.0 78.8 -85.7 -12.0 1.0 7.5 53.6 13 30 A A E < S- 0 0 41 -3,-1.8 337,-1.6 337,-0.1 2,-0.4 -0.785 73.8-162.8 -99.8 90.6 3.9 9.0 51.6 14 31 A L E + B 0 349A 109 -2,-1.0 335,-0.2 335,-0.2 2,-0.1 -0.593 11.1 179.3 -81.3 129.6 4.5 6.5 48.8 15 32 A G E - 0 0 35 333,-3.2 286,-0.1 -2,-0.4 -1,-0.1 -0.137 42.0 -35.6-105.4-154.0 7.8 6.6 47.0 16 33 A H E - 0 0 90 285,-0.2 332,-2.7 284,-0.1 2,-0.4 -0.306 58.1-116.0 -70.8 150.8 9.3 4.6 44.2 17 34 A T E - B 0 347A 88 330,-0.2 330,-0.3 -3,-0.1 -1,-0.1 -0.712 18.5-138.4 -83.8 135.3 8.7 0.9 43.8 18 35 A I E - B 0 346A 3 328,-3.4 328,-1.5 -2,-0.4 287,-0.1 -0.878 24.5-143.7 -92.4 112.9 11.7 -1.4 44.1 19 36 A P > - 0 0 32 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.345 20.6-112.1 -76.1 159.4 11.3 -4.0 41.3 20 37 A P T 3 S+ 0 0 73 0, 0.0 35,-0.5 0, 0.0 3,-0.3 0.772 117.5 51.2 -61.7 -25.4 12.4 -7.7 41.7 21 38 A D T 3 S+ 0 0 41 1,-0.2 35,-0.1 35,-0.1 36,-0.1 0.033 75.0 112.6-101.7 26.3 15.3 -7.2 39.2 22 39 A Y < + 0 0 2 -3,-1.6 285,-2.4 284,-0.1 -1,-0.2 0.914 61.9 73.9 -60.8 -45.8 16.7 -4.1 40.9 23 40 A T + 0 0 4 -3,-0.3 34,-1.8 32,-0.3 2,-0.3 -0.161 61.4 142.8 -72.0 164.8 19.9 -5.7 41.9 24 41 A G E -k 57 0B 0 32,-0.2 285,-1.9 282,-0.1 2,-0.3 -0.960 35.6-126.8 174.6 170.1 22.7 -6.6 39.6 25 42 A L E -kl 58 309B 2 32,-1.8 34,-2.9 283,-0.3 2,-0.4 -0.913 14.3-146.0-131.5 155.3 26.4 -7.0 38.8 26 43 A S E -kl 59 310B 0 283,-2.5 285,-1.2 -2,-0.3 2,-0.3 -0.972 18.0-180.0-124.6 140.5 28.6 -5.8 36.0 27 44 A Y E -k 60 0B 3 32,-2.3 34,-2.6 -2,-0.4 2,-0.2 -0.938 34.8 -92.6-134.4 157.0 31.6 -7.6 34.4 28 45 A E E > -k 61 0B 4 283,-0.5 3,-2.1 57,-0.4 4,-0.3 -0.490 27.6-131.2 -66.3 134.9 34.2 -7.0 31.7 29 46 A Q G > S+ 0 0 0 32,-2.6 3,-2.1 1,-0.3 4,-0.2 0.793 104.3 75.1 -55.9 -29.5 33.3 -8.3 28.3 30 47 A A G > S+ 0 0 8 31,-0.3 3,-2.1 1,-0.3 -1,-0.3 0.769 79.1 73.3 -55.3 -25.3 36.7 -9.9 28.2 31 48 A Q G X S+ 0 0 0 -3,-2.1 3,-2.1 1,-0.3 6,-0.3 0.799 80.1 72.8 -60.5 -27.7 35.3 -12.5 30.7 32 49 A M G < S+ 0 0 2 -3,-2.1 68,-0.5 -4,-0.3 -1,-0.3 0.597 78.4 76.2 -63.1 -10.5 33.5 -13.9 27.7 33 50 A A G < S+ 0 0 2 -3,-2.1 47,-2.7 1,-0.2 -1,-0.3 0.678 91.3 60.3 -70.4 -18.8 36.9 -15.2 26.5 34 51 A N X> - 0 0 4 -3,-2.1 3,-2.0 45,-0.2 4,-0.6 -0.862 66.3-170.2-113.8 98.4 36.5 -17.9 29.2 35 52 A P T 34 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 0.624 82.8 66.8 -64.4 -10.0 33.4 -20.1 28.6 36 53 A N T 34 S+ 0 0 67 1,-0.1 3,-0.3 3,-0.1 -4,-0.1 0.571 92.1 61.5 -83.0 -11.6 33.9 -21.7 32.1 37 54 A Y T <4 S+ 0 0 0 -3,-2.0 2,-1.5 1,-0.3 8,-0.1 0.978 109.5 33.1 -83.4 -66.4 33.2 -18.5 33.9 38 55 A F S < S+ 0 0 4 -4,-0.6 2,-0.3 -7,-0.2 -1,-0.3 -0.712 100.7 128.0 -87.0 89.3 29.6 -17.7 32.9 39 56 A S S > S- 0 0 7 -2,-1.5 3,-1.4 -3,-0.3 7,-0.2 -0.976 74.6-119.6-144.4 149.2 28.6 -21.3 32.7 40 57 A G T 3 S+ 0 0 15 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.781 116.5 59.4 -58.3 -27.2 26.0 -23.8 33.9 41 58 A A T 3 S+ 0 0 84 1,-0.2 2,-1.9 2,-0.1 3,-0.3 0.611 81.0 88.4 -78.4 -13.0 28.9 -25.7 35.5 42 59 A N <> + 0 0 8 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 -0.535 49.1 157.2 -85.1 72.5 29.9 -22.6 37.6 43 60 A T H > + 0 0 90 -2,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.791 64.9 59.1 -69.5 -28.5 27.5 -23.5 40.5 44 61 A Q H > S+ 0 0 64 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.976 109.9 39.8 -65.9 -54.7 29.5 -21.4 43.0 45 62 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 113.4 55.7 -63.1 -39.9 29.2 -18.1 41.2 46 63 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.900 106.3 52.1 -57.9 -40.2 25.5 -18.9 40.3 47 64 A G H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.897 106.3 52.8 -62.3 -42.8 24.8 -19.5 44.0 48 65 A F H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.888 111.1 47.7 -60.4 -38.6 26.3 -16.1 45.0 49 66 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 3,-0.3 0.935 108.1 53.6 -69.5 -44.0 24.1 -14.4 42.4 50 67 A R H < S+ 0 0 117 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.881 106.7 52.9 -58.0 -36.9 20.9 -16.2 43.6 51 68 A T H < S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 105.3 55.2 -67.5 -32.7 21.6 -15.0 47.2 52 69 A L H < S- 0 0 1 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 0.765 131.2 -24.6 -69.9 -25.7 21.8 -11.5 45.9 53 70 A G < - 0 0 14 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.741 39.4-131.9 176.2 140.2 18.4 -11.8 44.3 54 71 A R S S+ 0 0 234 -2,-0.2 2,-0.3 -3,-0.2 -1,-0.1 0.823 112.0 25.4 -60.3 -32.6 15.8 -14.3 42.9 55 72 A Q S S+ 0 0 95 -35,-0.5 -32,-0.3 -3,-0.1 2,-0.3 -0.904 82.6 127.7-126.8 158.5 15.7 -11.8 40.1 56 73 A G - 0 0 1 59,-0.3 61,-2.6 -2,-0.3 2,-0.4 -0.946 47.9 -95.2 170.7 176.1 18.5 -9.4 39.0 57 74 A V E -km 24 117B 0 -34,-1.8 -32,-1.8 250,-0.3 2,-0.6 -0.978 14.6-154.8-127.3 128.5 20.5 -8.3 36.0 58 75 A L E -km 25 118B 0 59,-3.2 61,-2.6 -2,-0.4 2,-0.5 -0.900 18.2-164.4 -93.0 119.5 24.0 -9.4 34.8 59 76 A R E -km 26 119B 0 -34,-2.9 -32,-2.3 -2,-0.6 2,-0.5 -0.931 4.7-166.8-107.6 130.9 25.6 -6.6 32.7 60 77 A I E +km 27 120B 0 59,-2.7 61,-2.0 -2,-0.5 -32,-0.2 -0.974 46.0 81.6-116.7 125.2 28.5 -7.4 30.5 61 78 A G E +k 28 0B 0 -34,-2.6 -32,-2.6 -2,-0.5 -31,-0.3 -0.645 31.5 134.8-177.0-123.7 30.5 -4.4 29.1 62 79 A G S > S- 0 0 0 -34,-0.2 3,-1.7 1,-0.2 4,-0.2 -0.105 80.2 -43.4 77.6-176.1 33.2 -2.1 30.4 63 80 A N G > S+ 0 0 38 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.842 133.2 61.8 -58.4 -34.8 36.4 -1.0 28.7 64 81 A T G > S+ 0 0 10 -3,-0.3 3,-1.7 1,-0.3 4,-0.4 0.667 82.4 81.2 -70.1 -14.3 37.1 -4.4 27.3 65 82 A S G < S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.681 90.7 52.9 -64.3 -16.3 33.9 -4.3 25.3 66 83 A E G < S+ 0 0 4 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.560 111.8 46.1 -89.1 -9.4 35.8 -2.3 22.7 67 84 A Y S < S+ 0 0 25 -3,-1.7 30,-2.4 -4,-0.2 2,-0.4 0.257 91.1 94.0-118.4 7.6 38.5 -4.9 22.6 68 85 A T E -s 97 0C 3 -4,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.873 55.7-161.4-105.3 137.7 36.4 -8.1 22.3 69 86 A F E -s 98 0C 44 28,-2.8 30,-1.7 -2,-0.4 2,-0.1 -0.927 12.9-139.0-128.4 105.7 35.7 -9.5 18.9 70 87 A W E -s 99 0C 6 -2,-0.5 2,-0.4 28,-0.2 30,-0.2 -0.390 20.4-172.5 -53.8 131.6 32.8 -11.9 18.3 71 88 A N > - 0 0 65 28,-2.3 3,-2.0 1,-0.1 -1,-0.1 -0.830 15.2-173.5-135.5 96.0 34.0 -14.6 15.9 72 89 A R T 3 S+ 0 0 73 -2,-0.4 -1,-0.1 1,-0.3 28,-0.0 0.803 92.0 48.4 -55.9 -29.4 31.2 -17.0 14.8 73 90 A H T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 27,-0.1 2,-0.1 0.066 83.3 135.4-102.4 23.1 33.9 -19.0 13.0 74 91 A A < - 0 0 16 -3,-2.0 -3,-0.0 25,-0.2 5,-0.0 -0.430 64.4-110.6 -67.0 143.8 36.4 -19.2 15.9 75 92 A K > - 0 0 160 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.533 30.9-123.6 -57.5 139.6 38.1 -22.5 16.8 76 93 A P G > S+ 0 0 95 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.799 111.8 65.6 -63.7 -21.2 36.5 -23.4 20.1 77 94 A T G 3 S+ 0 0 111 1,-0.3 4,-0.1 3,-0.0 -2,-0.0 0.404 73.0 88.3 -81.7 1.4 40.0 -23.5 21.5 78 95 A A G < S+ 0 0 48 -3,-2.1 20,-0.3 2,-0.1 -1,-0.3 0.633 71.1 105.8 -67.3 -14.0 40.3 -19.7 20.9 79 96 A A S < S- 0 0 13 -3,-1.2 2,-0.8 -4,-0.2 -45,-0.2 -0.335 76.0-133.3 -63.7 144.8 38.9 -19.6 24.4 80 97 A D > - 0 0 60 -47,-2.7 3,-0.9 1,-0.1 -1,-0.1 -0.879 21.2-166.8 -97.9 99.3 41.1 -18.7 27.3 81 98 A E T 3 S+ 0 0 84 -2,-0.8 -1,-0.1 1,-0.2 -47,-0.1 0.580 80.2 42.5 -67.0 -12.5 40.0 -21.5 29.7 82 99 A H T 3 S+ 0 0 115 242,-0.0 -1,-0.2 -3,-0.0 243,-0.2 0.566 80.0 126.4-108.8 -13.6 41.7 -19.9 32.8 83 100 A L < + 0 0 38 -3,-0.9 2,-0.6 -50,-0.1 -49,-0.1 -0.255 29.6 179.4 -63.5 123.9 40.8 -16.2 32.5 84 101 A A - 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