==== 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 3VNZ . 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) . 18387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 12.0 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 . 34 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.9 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 . 3 0.6 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 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 2 2 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 0 167 0, 0.0 385,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.7 27.2 8.6 74.6 2 19 A P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 385,-0.3 -0.099 360.0-110.0 -62.4 151.2 25.1 7.9 71.4 3 20 A V E -a 387 0A 31 383,-2.8 385,-2.8 355,-0.1 2,-0.7 -0.715 33.2-136.4 -74.9 122.9 23.7 10.6 69.2 4 21 A R E +a 388 0A 182 -2,-0.5 2,-0.3 383,-0.2 385,-0.2 -0.764 32.5 172.4 -90.8 112.4 19.9 10.6 69.7 5 22 A V E -a 389 0A 4 383,-2.4 385,-2.7 -2,-0.7 2,-0.4 -0.812 26.2-129.3-119.5 154.8 18.2 10.9 66.4 6 23 A G E -aB 390 354A 11 348,-2.1 348,-2.1 -2,-0.3 2,-0.5 -0.864 13.1-167.0-104.3 139.4 14.5 10.6 65.3 7 24 A L E -aB 391 353A 0 383,-3.0 385,-2.8 -2,-0.4 2,-0.7 -0.948 6.4-167.1-123.7 111.5 13.3 8.5 62.5 8 25 A S E -aB 392 352A 54 344,-2.5 344,-2.2 -2,-0.5 2,-0.4 -0.876 5.5-158.8-100.9 109.8 9.7 9.3 61.4 9 26 A V E - B 0 351A 12 383,-2.7 2,-0.5 -2,-0.7 342,-0.3 -0.742 3.4-165.8 -86.2 131.2 8.2 6.6 59.1 10 27 A D E > - B 0 350A 76 340,-3.3 3,-1.9 -2,-0.4 340,-1.4 -0.813 9.9-177.3-122.2 91.6 5.2 7.8 57.1 11 28 A A E 3 S+ 0 0 61 -2,-0.5 -1,-0.1 382,-0.4 340,-0.0 0.645 83.8 61.8 -59.1 -18.1 3.4 4.8 55.6 12 29 A S E 3 S+ 0 0 101 1,-0.1 2,-1.0 -3,-0.1 -1,-0.3 0.646 87.3 76.9 -83.7 -15.6 1.1 7.3 53.8 13 30 A A E < S- 0 0 41 -3,-1.9 337,-1.6 337,-0.1 2,-0.3 -0.786 74.7-162.7 -98.2 91.0 3.9 8.9 51.8 14 31 A L E - B 0 349A 108 -2,-1.0 335,-0.2 335,-0.2 2,-0.1 -0.584 10.0-177.9 -80.4 131.5 4.5 6.3 49.1 15 32 A G E - 0 0 34 333,-3.2 286,-0.1 -2,-0.3 -1,-0.1 -0.223 42.4 -36.7-107.0-156.2 7.8 6.6 47.2 16 33 A H E - 0 0 93 285,-0.3 332,-2.4 284,-0.2 2,-0.3 -0.252 59.7-114.8 -68.0 152.4 9.2 4.5 44.3 17 34 A T E - B 0 347A 90 330,-0.2 330,-0.3 -3,-0.1 -1,-0.1 -0.694 18.3-137.2 -85.9 135.8 8.6 0.8 43.9 18 35 A I E - B 0 346A 2 328,-3.5 328,-1.6 -2,-0.3 287,-0.1 -0.873 24.5-145.8 -91.7 113.2 11.6 -1.5 44.2 19 36 A P > - 0 0 34 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.368 21.6-111.4 -78.2 160.5 11.2 -4.1 41.4 20 37 A P T 3 S+ 0 0 73 0, 0.0 35,-0.5 0, 0.0 3,-0.3 0.778 116.9 52.4 -64.1 -23.9 12.4 -7.7 41.9 21 38 A D T 3 S+ 0 0 39 1,-0.2 35,-0.1 35,-0.1 36,-0.1 0.114 74.9 112.9 -98.2 23.5 15.2 -7.3 39.3 22 39 A Y < + 0 0 1 -3,-1.6 285,-2.3 284,-0.1 -1,-0.2 0.917 61.7 72.2 -55.0 -47.6 16.6 -4.2 41.0 23 40 A T + 0 0 5 -3,-0.3 34,-1.7 32,-0.3 2,-0.3 -0.180 61.8 146.6 -73.2 164.8 19.9 -5.8 42.0 24 41 A G E -k 57 0B 0 32,-0.3 285,-1.6 282,-0.1 2,-0.3 -0.972 33.6-130.4 177.7 169.3 22.6 -6.7 39.6 25 42 A L E -kl 58 309B 1 32,-2.2 34,-2.8 283,-0.3 2,-0.4 -0.943 13.7-143.5-134.3 157.8 26.3 -7.0 38.8 26 43 A S E +kl 59 310B 0 283,-2.5 285,-1.7 -2,-0.3 2,-0.3 -0.960 18.0 179.8-123.1 141.8 28.6 -5.8 36.0 27 44 A Y E -kl 60 311B 2 32,-2.5 34,-2.6 -2,-0.4 2,-0.2 -0.951 35.2 -93.3-136.4 157.8 31.6 -7.7 34.5 28 45 A E E > -k 61 0B 4 283,-0.5 3,-2.2 57,-0.4 4,-0.3 -0.465 27.1-130.4 -67.2 134.2 34.1 -7.0 31.7 29 46 A Q G > S+ 0 0 1 32,-2.8 3,-2.0 1,-0.3 4,-0.1 0.778 105.4 75.3 -53.5 -28.6 33.2 -8.3 28.2 30 47 A A G > S+ 0 0 8 31,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.742 79.8 72.3 -58.0 -23.6 36.7 -9.8 28.3 31 48 A Q G X S+ 0 0 0 -3,-2.2 3,-2.0 1,-0.3 6,-0.3 0.792 81.2 71.2 -62.1 -27.3 35.3 -12.4 30.6 32 49 A M G < S+ 0 0 2 -3,-2.0 68,-0.5 -4,-0.3 -1,-0.3 0.545 80.1 75.5 -65.8 -7.2 33.4 -13.9 27.6 33 50 A A G < S+ 0 0 2 -3,-1.7 47,-2.3 1,-0.2 -1,-0.3 0.694 91.6 59.6 -75.9 -19.2 36.8 -15.1 26.4 34 51 A N X> - 0 0 2 -3,-2.0 3,-2.1 45,-0.2 4,-0.6 -0.879 67.5-169.1-112.4 97.1 36.5 -17.9 29.1 35 52 A P T 34 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 0.624 81.9 67.0 -66.1 -7.6 33.4 -20.0 28.5 36 53 A N T 34 S+ 0 0 60 1,-0.1 3,-0.3 47,-0.1 -4,-0.1 0.565 91.6 61.9 -84.6 -9.3 33.9 -21.7 32.0 37 54 A Y T <4 S+ 0 0 0 -3,-2.1 2,-1.4 1,-0.3 8,-0.1 0.979 109.2 33.4 -84.6 -64.9 33.2 -18.5 33.9 38 55 A F S < S+ 0 0 6 -4,-0.6 2,-0.3 -7,-0.2 -1,-0.3 -0.733 99.8 127.1 -88.2 90.2 29.6 -17.7 32.9 39 56 A S S > S- 0 0 8 -2,-1.4 3,-1.6 -3,-0.3 7,-0.2 -0.980 75.0-118.0-146.1 149.7 28.6 -21.4 32.6 40 57 A G T 3 S+ 0 0 16 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.783 116.8 59.6 -58.0 -25.7 26.0 -23.8 33.9 41 58 A A T 3 S+ 0 0 84 1,-0.2 2,-1.8 2,-0.1 -1,-0.3 0.595 80.5 89.0 -79.9 -13.4 28.9 -25.7 35.5 42 59 A N <> + 0 0 7 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 -0.547 48.9 157.1 -84.4 74.2 29.8 -22.6 37.5 43 60 A T H > + 0 0 92 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.789 65.0 59.0 -72.2 -27.3 27.5 -23.6 40.4 44 61 A Q H > S+ 0 0 64 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.975 109.5 40.4 -67.4 -55.0 29.5 -21.5 43.0 45 62 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.929 112.9 55.7 -60.7 -41.0 29.1 -18.2 41.2 46 63 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.902 106.4 52.2 -56.3 -40.4 25.5 -19.0 40.3 47 64 A G H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.902 105.7 53.0 -64.4 -41.6 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 0.896 111.5 47.8 -59.9 -38.6 26.3 -16.2 45.0 49 66 A L H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.924 108.4 52.5 -66.0 -45.2 24.0 -14.5 42.4 50 67 A R H < S+ 0 0 118 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.878 106.9 53.5 -60.9 -36.7 20.9 -16.3 43.6 51 68 A T H < S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 106.4 53.8 -64.9 -35.3 21.6 -15.2 47.2 52 69 A L H < S- 0 0 1 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 131.2 -23.5 -68.8 -25.5 21.8 -11.6 45.9 53 70 A G < - 0 0 13 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.713 38.6-132.6 173.3 134.3 18.4 -12.0 44.4 54 71 A R S S+ 0 0 226 -2,-0.2 2,-0.3 -3,-0.2 -1,-0.1 0.819 112.0 23.3 -51.9 -36.7 15.8 -14.4 43.0 55 72 A Q S S+ 0 0 96 -35,-0.5 -32,-0.3 -3,-0.1 2,-0.3 -0.913 83.0 125.0-129.2 160.4 15.7 -11.9 40.2 56 73 A G - 0 0 1 59,-0.3 61,-2.4 -2,-0.3 2,-0.4 -0.952 49.1 -89.5 167.9 178.3 18.4 -9.5 39.1 57 74 A V E -km 24 117B 0 -34,-1.7 -32,-2.2 250,-0.3 2,-0.6 -0.967 14.8-155.7-128.0 132.4 20.5 -8.4 36.2 58 75 A L E -km 25 118B 0 59,-3.2 61,-2.5 -2,-0.4 2,-0.5 -0.912 18.8-165.6 -98.0 120.7 23.9 -9.5 34.8 59 76 A R E -km 26 119B 0 -34,-2.8 -32,-2.5 -2,-0.6 2,-0.5 -0.916 5.1-166.3-110.9 130.5 25.5 -6.7 32.8 60 77 A I E +km 27 120B 0 59,-3.0 61,-2.0 -2,-0.5 -32,-0.2 -0.968 46.0 80.1-116.4 122.5 28.5 -7.4 30.5 61 78 A G E +k 28 0B 0 -34,-2.6 -32,-2.8 -2,-0.5 -31,-0.3 -0.631 31.3 137.1-173.3-122.0 30.5 -4.4 29.2 62 79 A G S > S- 0 0 0 -34,-0.2 3,-1.7 1,-0.2 4,-0.2 -0.100 79.8 -44.2 81.2-177.2 33.2 -2.2 30.5 63 80 A N G > S+ 0 0 42 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.827 133.5 62.4 -57.2 -33.8 36.4 -0.9 28.8 64 81 A T G > S+ 0 0 10 -3,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.684 81.5 80.1 -72.0 -15.1 37.1 -4.4 27.5 65 82 A S G < S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.636 91.0 54.5 -64.8 -13.2 33.8 -4.3 25.4 66 83 A E G < S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.512 110.9 45.2 -87.9 -9.5 35.8 -2.2 22.9 67 84 A Y S < S+ 0 0 22 -3,-1.9 30,-2.2 -4,-0.2 2,-0.4 0.189 92.4 92.8-123.5 10.9 38.5 -4.8 22.6 68 85 A T E -s 97 0C 3 -4,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.937 55.2-161.9-113.2 134.3 36.4 -8.0 22.3 69 86 A F E -s 98 0C 40 28,-2.7 30,-2.2 -2,-0.4 2,-0.2 -0.956 14.0-137.7-125.4 112.2 35.5 -9.4 19.0 70 87 A W E -s 99 0C 5 -2,-0.5 2,-0.4 28,-0.2 30,-0.2 -0.486 21.7-174.0 -59.7 133.1 32.8 -11.8 18.3 71 88 A N > - 0 0 66 28,-2.3 3,-2.0 -2,-0.2 -2,-0.0 -0.843 15.1-171.1-136.6 97.2 33.9 -14.5 15.9 72 89 A R T 3 S+ 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 28,-0.0 0.758 91.5 48.5 -56.9 -24.5 31.2 -16.9 14.8 73 90 A H T 3 S+ 0 0 161 -3,-0.1 -1,-0.3 27,-0.1 27,-0.1 0.089 81.1 134.5-106.2 21.8 33.9 -19.0 13.1 74 91 A A < - 0 0 17 -3,-2.0 -3,-0.0 25,-0.2 5,-0.0 -0.424 65.3-109.0 -66.7 144.0 36.4 -19.1 15.9 75 92 A K > - 0 0 159 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.498 30.2-122.7 -54.2 141.2 38.1 -22.4 16.8 76 93 A P G > S+ 0 0 97 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.827 113.1 64.7 -59.9 -25.9 36.5 -23.4 20.1 77 94 A T G 3 S+ 0 0 112 1,-0.3 4,-0.1 3,-0.0 -2,-0.0 0.474 75.5 84.9 -79.1 -3.8 40.1 -23.5 21.4 78 95 A A G < S+ 0 0 53 -3,-1.7 -1,-0.3 2,-0.1 20,-0.3 0.730 72.3 103.5 -63.2 -24.9 40.4 -19.8 20.8 79 96 A A S < S- 0 0 11 -3,-1.4 2,-0.9 -4,-0.3 -45,-0.2 -0.270 77.5-132.7 -55.6 141.9 38.8 -19.6 24.3 80 97 A D > - 0 0 68 -47,-2.3 3,-1.0 1,-0.1 -1,-0.1 -0.896 21.4-167.9 -97.4 102.6 41.1 -18.8 27.2 81 98 A E T 3 S+ 0 0 75 -2,-0.9 -1,-0.1 1,-0.2 -47,-0.1 0.565 80.9 44.6 -72.9 -10.4 40.0 -21.5 29.6 82 99 A H T 3 S+ 0 0 142 242,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.432 80.0 125.3-111.8 -5.2 41.8 -20.0 32.6 83 100 A L < + 0 0 36 -3,-1.0 2,-0.5 -50,-0.1 -49,-0.1 -0.428 30.4 179.2 -69.3 122.8 40.9 -16.3 32.3 84 101 A A - 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