==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-04 1UWK . COMPND 2 MOLECULE: UROCANATE HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.KESSLER,J.RETEY,G.E.SCHULZ . 1107 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 794 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 52 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.3 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 5 0 0 2 2 5 4 1 0 10 2 2 0 0 2 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 0 2 6 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 . 8 4 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 2 2 0 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 4 A N 0 0 70 0, 0.0 59,-2.1 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 -98.6 11.2 12.6 -57.1 2 5 A N - 0 0 104 57,-0.2 57,-2.6 56,-0.1 58,-0.3 0.827 360.0-159.0 -33.8 165.1 12.9 12.7 -60.2 3 6 A K + 0 0 56 55,-0.2 2,-0.4 56,-0.1 0, 0.0 0.580 67.1 72.4-116.1 2.3 16.3 14.4 -59.5 4 7 A Y + 0 0 118 41,-0.1 2,-0.3 42,-0.1 41,-0.2 -0.934 49.3 161.1-111.0 131.4 17.2 15.6 -63.0 5 8 A R - 0 0 76 39,-2.1 2,-2.0 -2,-0.4 41,-0.2 -0.969 36.6-135.1-143.0 129.1 15.4 18.5 -64.7 6 9 A D + 0 0 113 -2,-0.3 2,-0.3 39,-0.1 38,-0.1 -0.519 63.1 117.7 -87.4 76.1 16.9 20.4 -67.7 7 10 A V - 0 0 58 -2,-2.0 2,-0.6 36,-0.0 -2,-0.1 -0.965 59.9-132.0-135.9 155.7 16.2 23.9 -66.5 8 11 A E - 0 0 119 -2,-0.3 2,-0.4 28,-0.0 28,-0.1 -0.950 26.3-164.9-108.7 120.5 18.2 26.9 -65.6 9 12 A I + 0 0 21 26,-0.6 2,-0.3 -2,-0.6 -2,-0.0 -0.911 12.9 167.9-109.0 137.5 17.1 28.5 -62.3 10 13 A R - 0 0 126 -2,-0.4 23,-0.2 26,-0.2 22,-0.1 -0.986 40.4 -97.2-143.2 151.2 18.0 32.0 -61.1 11 14 A A - 0 0 3 -2,-0.3 18,-0.1 21,-0.2 19,-0.1 -0.403 43.6-110.4 -67.3 142.6 16.8 34.2 -58.4 12 15 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.356 40.7-145.0 -62.8 154.8 14.3 36.8 -59.4 13 16 A R + 0 0 91 -3,-0.1 3,-0.5 352,-0.1 352,-0.2 -0.635 44.3 31.2-120.1 172.0 15.7 40.2 -59.2 14 17 A G S S- 0 0 18 350,-2.4 351,-0.1 -2,-0.2 352,-0.0 -0.145 94.9 -55.7 76.2-168.9 14.6 43.8 -58.4 15 18 A N S S+ 0 0 88 418,-0.1 2,-0.4 349,-0.1 -1,-0.2 0.455 94.8 99.7-102.0 2.4 12.1 45.1 -56.0 16 19 A K - 0 0 137 -3,-0.5 2,-0.2 1,-0.0 0, 0.0 -0.743 63.6-132.9 -98.5 140.2 8.8 43.3 -56.9 17 20 A L - 0 0 70 -2,-0.4 5,-0.1 1,-0.1 -2,-0.1 -0.534 27.4-178.8 -88.8 148.5 7.7 40.3 -55.0 18 21 A T S S+ 0 0 73 -2,-0.2 -1,-0.1 3,-0.1 2,-0.0 0.666 82.0 56.6-100.2 -42.0 6.4 36.9 -56.0 19 22 A A S S- 0 0 8 2,-0.1 51,-0.2 1,-0.1 52,-0.1 -0.178 103.6 -99.0 -81.7-178.5 5.8 35.8 -52.4 20 23 A K S S+ 0 0 104 49,-0.5 2,-0.3 52,-0.4 50,-0.1 0.692 95.6 2.4 -82.9 -17.6 3.7 37.8 -49.9 21 24 A S S >> S- 0 0 30 51,-0.1 4,-2.6 1,-0.1 3,-1.0 -0.966 76.8 -99.7-157.2 168.8 6.4 39.7 -48.1 22 25 A W H 3> S+ 0 0 43 -2,-0.3 4,-2.2 1,-0.2 483,-0.1 0.792 117.8 63.7 -68.0 -24.5 10.2 40.2 -48.2 23 26 A L H 34 S+ 0 0 16 2,-0.2 -1,-0.2 1,-0.2 74,-0.2 0.770 115.1 30.9 -72.1 -21.8 10.6 37.7 -45.3 24 27 A T H <> S+ 0 0 0 -3,-1.0 4,-1.4 2,-0.1 -2,-0.2 0.681 115.1 59.2-103.8 -26.2 9.2 34.9 -47.5 25 28 A E H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.892 99.5 62.4 -62.0 -39.8 10.6 36.3 -50.8 26 29 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.942 105.2 40.4 -56.9 -55.7 14.1 36.1 -49.3 27 30 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.904 114.4 56.3 -65.2 -31.6 14.3 32.3 -48.8 28 31 A L H X S+ 0 0 2 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.954 111.8 41.7 -56.5 -50.2 12.5 31.9 -52.1 29 32 A R H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.875 114.7 50.0 -66.7 -37.6 15.2 33.9 -53.9 30 33 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 106,-0.2 0.856 108.3 53.0 -75.1 -32.5 18.1 32.3 -51.9 31 34 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.948 113.3 44.5 -59.2 -49.4 16.9 28.8 -52.7 32 35 A M H >< S+ 0 0 22 -4,-2.1 3,-1.1 -5,-0.3 4,-0.3 0.905 110.5 54.3 -64.9 -36.3 16.8 29.7 -56.4 33 36 A N H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.884 98.7 62.5 -63.5 -33.3 20.2 31.4 -56.2 34 37 A N H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.722 109.0 43.9 -59.6 -23.9 21.6 28.2 -54.7 35 38 A L T << S+ 0 0 1 -3,-1.1 -26,-0.6 -4,-0.6 -1,-0.3 0.340 80.6 130.9-103.8 5.6 20.7 26.6 -58.0 36 39 A D X> - 0 0 4 -3,-1.6 4,-2.7 -4,-0.3 3,-2.2 -0.260 64.7-127.1 -62.2 137.5 21.9 29.4 -60.4 37 40 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.764 112.4 51.1 -59.6 -20.7 24.1 27.9 -63.1 38 41 A Q T 34 S+ 0 0 100 1,-0.1 -2,-0.1 100,-0.0 3,-0.0 0.518 120.6 35.3 -89.3 -8.0 26.9 30.4 -62.2 39 42 A V T <4 S+ 0 0 0 -3,-2.2 2,-0.2 -6,-0.1 -5,-0.1 0.801 104.1 65.8-109.3 -51.9 26.7 29.4 -58.6 40 43 A A < - 0 0 1 -4,-2.7 8,-0.2 -7,-0.2 9,-0.2 -0.467 66.2-137.4 -88.7 149.7 25.9 25.6 -58.2 41 44 A E S S- 0 0 23 7,-2.7 7,-0.2 1,-0.2 8,-0.1 0.905 97.0 -3.9 -70.2 -40.8 28.1 22.7 -59.2 42 45 A N B > >S+A 47 0A 68 5,-2.4 5,-2.0 1,-0.1 3,-1.7 -0.405 71.0 163.8-151.7 63.9 25.3 20.6 -60.7 43 46 A P G > 5 + 0 0 21 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.683 68.2 71.8 -70.6 -16.8 21.9 22.3 -60.3 44 47 A K G 3 5S+ 0 0 50 1,-0.3 -39,-2.1 2,-0.1 -36,-0.0 0.768 108.8 39.4 -67.8 -18.2 20.1 20.2 -62.9 45 48 A E G < 5S- 0 0 76 -3,-1.7 -1,-0.3 -41,-0.2 3,-0.1 0.114 124.2-109.1-107.1 17.5 20.4 17.4 -60.3 46 49 A L T < 5S+ 0 0 0 -3,-1.8 9,-1.9 1,-0.2 2,-0.5 0.511 72.3 145.4 69.1 10.8 19.7 19.9 -57.5 47 50 A V E < +AB 42 54A 9 -5,-2.0 -5,-2.4 7,-0.2 7,-0.2 -0.686 23.0 172.9 -87.4 124.7 23.4 19.7 -56.4 48 51 A V E - 0 0 0 5,-3.1 -7,-2.7 -2,-0.5 2,-0.3 0.875 56.6 -54.9 -94.4 -54.8 25.0 22.9 -55.0 49 52 A Y E > S+ B 0 53A 11 4,-0.9 4,-1.3 -9,-0.2 -1,-0.4 -0.966 97.3 65.3-165.6 176.8 28.4 21.7 -53.8 50 53 A G T 4 S- 0 0 15 -2,-0.3 2,-0.6 2,-0.2 -1,-0.1 0.899 111.4 -55.9 70.4 49.2 30.3 19.4 -51.5 51 54 A G T 4 S- 0 0 23 1,-0.2 213,-0.0 218,-0.1 -1,-0.0 -0.758 124.5 -10.5 81.7-122.4 29.6 15.9 -53.0 52 55 A I T 4 S+ 0 0 23 -2,-0.6 74,-0.6 -5,-0.1 2,-0.5 -0.191 85.3 153.7-104.6 40.8 25.8 15.5 -53.3 53 56 A G E < -Bc 49 126A 0 -4,-1.3 -5,-3.1 74,-0.1 -4,-0.9 -0.579 28.2-167.3 -69.9 117.9 24.9 18.6 -51.1 54 57 A R E -B 47 0A 19 72,-2.8 -7,-0.2 -2,-0.5 3,-0.1 -0.738 34.2-144.3-115.7 157.1 21.4 19.5 -52.5 55 58 A A S S+ 0 0 1 -9,-1.9 2,-0.3 -2,-0.3 -8,-0.1 0.691 90.6 7.9 -89.6 -23.8 19.0 22.4 -52.2 56 59 A A S S- 0 0 0 -10,-0.3 -1,-0.2 70,-0.1 28,-0.2 -0.954 79.4-109.2-153.5 161.3 15.8 20.3 -52.2 57 60 A R S S- 0 0 3 26,-2.4 2,-0.3 -2,-0.3 27,-0.1 0.884 89.3 -31.0 -67.6 -37.3 15.2 16.5 -52.0 58 61 A N S > S- 0 0 11 25,-0.4 4,-2.4 -57,-0.1 -55,-0.2 -0.913 75.4 -81.5-166.6 178.8 14.0 16.1 -55.6 59 62 A W H > S+ 0 0 1 -57,-2.6 4,-2.7 -2,-0.3 5,-0.2 0.844 123.9 56.5 -74.8 -28.1 12.2 18.2 -58.1 60 63 A E H > S+ 0 0 111 -59,-2.1 4,-2.0 -58,-0.3 -1,-0.2 0.928 110.8 45.5 -60.9 -42.9 8.7 17.5 -56.8 61 64 A C H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.907 110.3 54.5 -65.9 -40.2 9.8 18.8 -53.4 62 65 A Y H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.956 109.4 47.3 -54.4 -53.9 11.5 21.8 -55.1 63 66 A D H X S+ 0 0 68 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.911 113.3 48.3 -56.6 -38.8 8.3 22.7 -56.9 64 67 A K H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.865 108.9 53.0 -73.4 -35.3 6.3 22.4 -53.7 65 68 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.959 111.3 46.6 -61.6 -45.3 8.8 24.5 -51.7 66 69 A V H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.941 114.4 47.7 -62.6 -43.8 8.5 27.3 -54.2 67 70 A E H X S+ 0 0 99 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.917 115.2 45.1 -60.8 -43.7 4.7 27.0 -54.2 68 71 A T H >X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 3,-0.6 0.932 110.7 50.8 -72.6 -44.2 4.5 27.0 -50.5 69 72 A L H 3< S+ 0 0 0 -4,-2.8 -49,-0.5 -5,-0.2 3,-0.3 0.888 106.2 59.4 -55.4 -37.0 6.9 29.9 -49.9 70 73 A T H 3< S+ 0 0 42 -4,-2.0 -50,-0.2 -5,-0.2 -1,-0.2 0.825 115.9 31.9 -62.4 -32.8 4.9 31.9 -52.4 71 74 A R H << S+ 0 0 63 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.487 87.2 126.5-103.8 -1.3 1.7 31.6 -50.3 72 75 A L < - 0 0 1 -4,-1.2 -52,-0.4 -3,-0.3 2,-0.1 -0.281 54.1-133.9 -65.4 134.5 3.2 31.5 -46.8 73 76 A E > - 0 0 81 1,-0.1 3,-1.7 -53,-0.1 -1,-0.1 -0.427 21.6-107.7 -87.3 166.4 1.7 34.1 -44.5 74 77 A D T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.1 18,-0.1 0.565 119.3 44.5 -74.5 -7.5 3.7 36.4 -42.2 75 78 A D T 3 S+ 0 0 65 16,-0.1 16,-3.1 18,-0.1 2,-0.3 0.121 100.1 90.7-117.5 21.9 2.6 34.5 -39.0 76 79 A E E < -D 90 0B 44 -3,-1.7 2,-0.4 14,-0.2 14,-0.2 -0.853 59.5-153.1-114.8 153.8 3.2 31.0 -40.5 77 80 A T E -D 89 0B 0 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.995 7.0-145.6-130.5 128.4 6.3 28.8 -40.5 78 81 A L E -De 88 98B 0 19,-2.8 21,-2.5 -2,-0.4 2,-0.5 -0.763 11.0-146.4 -89.4 134.2 7.2 26.2 -43.0 79 82 A L E -De 87 99B 0 8,-3.0 7,-1.9 -2,-0.4 8,-1.1 -0.914 9.9-164.4 -99.1 126.9 9.1 23.1 -41.8 80 83 A V E -De 85 100B 0 19,-2.7 21,-2.7 -2,-0.5 2,-0.5 -0.966 3.5-170.1-110.4 124.5 11.6 21.6 -44.3 81 84 A Q E > S-De 84 101B 3 3,-2.8 3,-1.1 -2,-0.5 21,-0.2 -0.975 73.2 -28.3-119.6 111.6 12.7 18.1 -43.5 82 85 A S T 3 S- 0 0 4 19,-2.8 -1,-0.2 -2,-0.5 20,-0.2 0.920 129.0 -44.2 39.8 54.3 15.6 16.8 -45.6 83 86 A G T 3 S+ 0 0 1 1,-0.2 -26,-2.4 49,-0.2 -25,-0.4 0.645 116.8 113.2 78.3 16.0 14.7 19.1 -48.4 84 87 A K E < -D 81 0B 32 -3,-1.1 -3,-2.8 -28,-0.2 2,-1.0 -0.986 68.0-129.4-124.7 128.7 10.9 18.3 -48.3 85 88 A P E +D 80 0B 0 0, 0.0 1020,-0.6 0, 0.0 -5,-0.2 -0.685 40.5 164.3 -80.0 102.1 8.2 20.9 -47.3 86 89 A V E + 0 0 5 -7,-1.9 2,-0.3 -2,-1.0 -6,-0.1 0.723 50.9 0.6 -99.7 -23.6 6.4 18.8 -44.7 87 90 A G E -D 79 0B 0 -8,-1.1 -8,-3.0 1016,-0.2 2,-0.4 -0.977 45.2-148.8-164.0 151.5 4.2 21.2 -42.7 88 91 A V E +DF 781102B 7 1014,-2.6 1014,-0.7 -2,-0.3 2,-0.3 -0.999 28.0 179.8-122.9 125.4 3.1 24.8 -42.2 89 92 A F E -D 77 0B 8 -12,-2.4 -12,-2.6 -2,-0.4 2,-0.4 -0.936 32.1-103.0-127.8 152.0 2.2 25.9 -38.6 90 93 A K E +D 76 0B 73 -2,-0.3 -14,-0.2 -14,-0.2 985,-0.1 -0.549 54.9 138.4 -75.3 126.5 1.0 29.1 -37.0 91 94 A T - 0 0 0 -16,-3.1 2,-0.3 -2,-0.4 -1,-0.1 0.029 50.6 -86.9-129.6-115.9 3.7 31.0 -35.1 92 95 A H > - 0 0 27 4,-0.2 3,-1.9 -18,-0.1 -17,-0.1 -0.972 33.5 -94.4-161.1 170.3 4.2 34.8 -35.2 93 96 A S T 3 S+ 0 0 58 -2,-0.3 4,-0.1 1,-0.3 -18,-0.1 0.702 119.2 54.9 -70.2 -17.4 5.9 37.5 -37.2 94 97 A N T 3 S+ 0 0 48 937,-0.1 -1,-0.3 2,-0.1 -19,-0.1 0.326 94.8 84.2 -98.1 10.6 9.0 37.6 -35.1 95 98 A A S < S- 0 0 3 -3,-1.9 382,-0.1 1,-0.1 381,-0.1 -0.636 96.9 -82.5 -94.5 166.2 9.6 33.9 -35.5 96 99 A P - 0 0 0 0, 0.0 385,-0.2 0, 0.0 386,-0.2 -0.380 26.7-142.5 -62.8 148.0 11.5 32.4 -38.4 97 100 A R S S+ 0 0 2 384,-2.1 -19,-2.8 1,-0.2 2,-0.4 0.671 88.1 34.1 -80.5 -21.8 9.4 31.8 -41.6 98 101 A V E -eg 78 482B 0 383,-1.3 385,-1.7 -21,-0.2 2,-0.4 -0.997 61.1-169.0-139.4 133.7 11.3 28.6 -42.3 99 102 A L E -eg 79 483B 0 -21,-2.5 -19,-2.7 -2,-0.4 2,-0.4 -0.994 17.8-167.2-119.0 127.9 12.7 25.9 -40.0 100 103 A I E +eg 80 484B 0 383,-2.6 385,-2.4 -2,-0.4 2,-0.4 -0.952 16.8 178.0-124.8 131.2 15.0 23.4 -41.7 101 104 A A E -eg 81 485B 0 -21,-2.7 -19,-2.8 -2,-0.4 2,-0.4 -0.949 17.1-177.9-135.3 113.6 16.3 20.1 -40.5 102 105 A N E - 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