==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 17-AUG-04 1X87 . COMPND 2 MOLECULE: UROCANASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR V.TERESHKO,J.ZABORSKE,R.GILBRETH,I.DEMENTIEVA,F.COLLART,A.JO . 988 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 712 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 7.7 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 0.2 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 . 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 . 45 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.8 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 2 0 2 2 2 6 0 0 10 2 2 0 0 2 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 2 2 3 0 1 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 0 0 2 2 4 0 0 2 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 0 0 2 0 0 2 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 7 A V 0 0 104 0, 0.0 41,-0.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 115.5 21.3 2.3 38.7 2 8 A R - 0 0 63 1,-0.0 2,-0.1 2,-0.0 22,-0.1 -0.762 360.0-120.1 -89.9 130.8 20.8 4.8 35.9 3 9 A P + 0 0 111 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.403 30.4 177.5 -70.2 136.5 17.1 5.9 35.5 4 10 A F + 0 0 19 -2,-0.1 2,-0.3 16,-0.1 5,-0.1 -0.940 30.8 137.2-128.8 120.2 15.3 5.3 32.3 5 11 A A + 0 0 81 -2,-0.4 3,-0.4 3,-0.1 322,-0.1 -0.973 25.8 30.6-155.7 160.9 11.7 6.5 32.6 6 12 A G S S- 0 0 27 321,-0.4 322,-0.1 320,-0.4 323,-0.0 -0.244 96.4 -38.0 86.8-164.6 8.7 8.3 31.1 7 13 A T S S+ 0 0 91 320,-0.1 2,-0.3 389,-0.1 -1,-0.2 0.614 111.3 72.2 -82.8 -9.9 7.3 8.8 27.6 8 14 A E - 0 0 161 -3,-0.4 2,-0.4 319,-0.1 -3,-0.1 -0.796 69.3-138.1-106.0 148.3 10.7 9.3 25.7 9 15 A R - 0 0 125 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.813 13.3-169.2-101.7 142.0 13.4 6.6 24.9 10 16 A R S S+ 0 0 159 -2,-0.4 -1,-0.1 3,-0.1 4,-0.1 0.650 72.3 80.6 -91.1 -25.2 17.2 7.1 25.2 11 17 A A S S- 0 0 7 2,-0.2 38,-0.2 1,-0.1 39,-0.1 -0.297 96.7-106.1 -75.5 164.9 17.8 3.8 23.3 12 18 A K S S+ 0 0 80 37,-0.6 2,-0.3 36,-0.4 41,-0.1 0.655 101.2 11.6 -63.6 -17.9 17.7 3.4 19.4 13 19 A G S > S- 0 0 6 38,-0.1 4,-2.1 39,-0.1 -2,-0.2 -0.982 77.6-107.9-157.1 167.7 14.4 1.6 19.8 14 20 A W H > S+ 0 0 37 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.674 114.5 55.2 -79.0 -22.0 11.6 0.8 22.3 15 21 A I H > S+ 0 0 14 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.931 111.6 45.6 -70.7 -46.2 12.5 -3.0 22.7 16 22 A Q H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 115.0 48.9 -58.2 -43.6 16.0 -1.9 23.7 17 23 A E H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.914 109.6 51.1 -61.5 -45.7 14.4 0.7 25.9 18 24 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.895 107.0 53.8 -60.7 -41.8 12.0 -1.8 27.5 19 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.941 110.3 47.6 -59.9 -47.4 15.0 -4.2 28.2 20 26 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.912 114.1 46.4 -55.3 -47.3 16.7 -1.3 30.1 21 27 A R H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.875 115.8 44.6 -72.0 -31.0 13.5 -0.4 32.0 22 28 A X H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.887 111.2 53.8 -79.0 -42.9 12.8 -4.1 32.9 23 29 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 -5,-0.3 3,-0.4 0.959 115.0 41.1 -49.9 -53.0 16.4 -4.7 33.8 24 30 A N H >< S+ 0 0 18 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.869 107.4 62.5 -69.8 -32.5 16.2 -1.7 36.2 25 31 A N H >< S+ 0 0 8 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.852 98.0 57.1 -58.5 -36.8 12.7 -2.6 37.5 26 32 A N H 3< S+ 0 0 37 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.780 103.6 53.7 -66.7 -25.1 14.1 -6.0 38.9 27 33 A L T << S+ 0 0 48 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.007 83.4 127.6 -94.1 26.1 16.6 -4.0 41.0 28 34 A H < - 0 0 71 -3,-1.3 -3,-0.1 1,-0.1 3,-0.0 -0.674 59.7-140.5 -84.9 139.1 13.7 -1.8 42.5 29 35 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.936 105.2 48.2 -64.8 -47.8 13.5 -1.6 46.4 30 36 A D 0 0 114 1,-0.2 -2,-0.0 71,-0.0 0, 0.0 0.715 360.0 360.0 -64.7 -22.7 9.7 -1.8 46.4 31 37 A V 0 0 35 -6,-0.1 -1,-0.2 70,-0.1 70,-0.1 0.653 360.0 360.0 -93.6 360.0 10.0 -4.9 44.1 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 52 A K 0 0 155 0, 0.0 -6,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 161.2 20.3 -10.8 40.4 34 53 A A + 0 0 16 -11,-0.1 2,-0.3 62,-0.0 28,-0.1 0.825 360.0 20.2 -75.0 -30.2 19.5 -9.2 37.0 35 54 A A S S- 0 0 5 1,-0.1 28,-0.2 -12,-0.1 27,-0.1 -0.815 88.7-104.3-131.3 172.2 23.1 -9.3 35.7 36 55 A R S S- 0 0 107 26,-2.3 2,-0.3 -2,-0.3 27,-0.1 0.905 93.6 -28.2 -70.8 -40.2 26.2 -11.3 36.9 37 56 A N S > S- 0 0 70 25,-0.4 4,-2.7 -3,-0.0 3,-0.4 -0.937 77.3 -80.6-160.2 174.3 27.8 -8.3 38.7 38 57 A W H > S+ 0 0 137 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.789 127.6 56.6 -58.0 -26.2 27.9 -4.5 38.5 39 58 A E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 110.3 43.2 -74.0 -41.2 30.4 -4.6 35.7 40 59 A C H > S+ 0 0 5 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.913 110.2 57.3 -68.0 -42.0 28.1 -6.8 33.6 41 60 A Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.928 108.7 46.4 -52.4 -43.4 25.1 -4.6 34.6 42 61 A E H X S+ 0 0 66 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.906 112.0 49.3 -71.7 -38.3 27.0 -1.5 33.1 43 62 A A H X S+ 0 0 6 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.893 111.0 50.6 -66.9 -37.2 28.0 -3.3 29.9 44 63 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.972 114.5 43.6 -64.1 -51.2 24.4 -4.5 29.4 45 64 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.951 116.9 46.4 -56.4 -53.4 23.1 -1.0 29.9 46 65 A D H X S+ 0 0 82 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.920 115.6 46.4 -55.3 -47.3 25.8 0.5 27.6 47 66 A T H X S+ 0 0 4 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.915 109.7 53.2 -65.6 -42.0 25.3 -2.2 24.9 48 67 A L H < S+ 0 0 0 -4,-3.0 -36,-0.4 -5,-0.2 -1,-0.2 0.870 105.2 55.6 -64.6 -34.7 21.5 -1.7 25.0 49 68 A L H < S+ 0 0 29 -4,-2.1 -37,-0.6 -5,-0.2 -1,-0.2 0.904 119.0 31.9 -63.1 -38.0 21.8 2.1 24.4 50 69 A R H < S+ 0 0 85 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.534 88.8 122.0 -94.8 -10.2 23.9 1.5 21.2 51 70 A L < - 0 0 0 -4,-1.5 -39,-0.3 -5,-0.1 -35,-0.1 -0.368 58.3-134.8 -59.5 122.7 22.2 -1.8 20.1 52 71 A E > - 0 0 85 -2,-0.2 3,-1.7 1,-0.1 -39,-0.1 -0.355 20.2-109.3 -72.9 161.4 20.7 -1.3 16.5 53 72 A N T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -41,-0.1 18,-0.1 0.538 119.5 47.5 -69.6 -7.3 17.2 -2.6 15.6 54 73 A D T 3 S+ 0 0 70 16,-0.1 16,-2.7 19,-0.1 2,-0.3 0.006 100.2 85.4-120.4 25.9 18.7 -5.3 13.4 55 74 A E E < -A 69 0A 44 -3,-1.7 2,-0.4 14,-0.3 14,-0.2 -0.893 61.0-150.3-122.7 157.8 21.2 -6.6 16.0 56 75 A T E -A 68 0A 0 12,-2.6 12,-2.2 -2,-0.3 2,-0.3 -0.992 5.7-146.9-130.8 134.9 20.8 -9.0 18.9 57 76 A L E -Ab 67 77A 0 19,-3.1 21,-2.3 -2,-0.4 2,-0.5 -0.799 12.4-145.9 -96.9 141.0 22.7 -9.1 22.3 58 77 A L E -Ab 66 78A 0 8,-2.5 7,-2.0 -2,-0.3 8,-1.0 -0.942 8.1-164.3-110.8 128.8 23.5 -12.5 24.0 59 78 A I E -Ab 64 79A 3 19,-2.4 21,-3.0 -2,-0.5 2,-0.6 -0.964 3.1-170.4-111.8 120.9 23.4 -12.7 27.7 60 79 A Q E > S-Ab 63 80A 8 3,-2.7 3,-1.1 -2,-0.5 21,-0.2 -0.950 75.8 -26.9-113.8 108.0 25.2 -15.9 29.1 61 80 A S T 3 S- 0 0 26 19,-2.4 -1,-0.2 -2,-0.6 20,-0.2 0.930 129.9 -42.6 51.7 52.1 24.5 -16.3 32.9 62 81 A G T 3 S+ 0 0 6 1,-0.2 -26,-2.3 -27,-0.1 -25,-0.4 0.513 117.7 109.1 80.4 6.3 24.0 -12.5 33.4 63 82 A K E < -A 60 0A 39 -3,-1.1 -3,-2.7 -28,-0.2 2,-0.7 -0.961 68.2-130.7-122.8 132.4 26.9 -11.4 31.2 64 83 A P E +A 59 0A 0 0, 0.0 930,-0.4 0, 0.0 -5,-0.2 -0.668 36.8 164.1 -81.1 110.4 26.7 -9.7 27.8 65 84 A V E + 0 0 3 -7,-2.0 2,-0.3 -2,-0.7 -6,-0.1 0.623 54.2 3.8-107.1 -20.2 29.1 -11.8 25.7 66 85 A A E -A 58 0A 0 -8,-1.0 -8,-2.5 926,-0.2 2,-0.4 -0.983 43.3-151.4-162.4 153.6 28.2 -10.8 22.1 67 86 A V E -AC 57 991A 5 924,-1.8 924,-0.6 -2,-0.3 2,-0.3 -0.998 25.9-175.6-120.6 133.7 26.2 -8.7 19.7 68 87 A F E -A 56 0A 14 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.4 -0.960 32.0-108.3-126.8 146.5 25.4 -10.2 16.3 69 88 A R E +A 55 0A 94 -2,-0.3 -14,-0.3 -14,-0.2 895,-0.1 -0.586 54.8 146.1 -67.7 124.6 23.6 -8.8 13.2 70 89 A T - 0 0 8 -16,-2.7 -1,-0.1 -2,-0.4 -15,-0.1 0.061 48.2 -81.5-126.3-114.9 20.2 -10.5 12.9 71 90 A H > - 0 0 29 4,-0.2 3,-1.9 -18,-0.1 -16,-0.1 -0.976 35.7 -95.5-158.5 161.9 17.1 -8.8 11.5 72 91 A P T 3 S+ 0 0 74 0, 0.0 -17,-0.1 0, 0.0 -18,-0.1 0.738 120.5 50.9 -57.6 -26.2 14.3 -6.4 12.8 73 92 A D T 3 S+ 0 0 56 847,-0.1 -19,-0.1 -19,-0.1 3,-0.1 0.352 91.8 95.1 -95.0 5.3 11.8 -9.2 13.6 74 93 A A S < S- 0 0 4 -3,-1.9 348,-0.1 1,-0.1 -19,-0.1 -0.531 92.7 -89.3 -80.3 160.5 14.4 -11.2 15.7 75 94 A P - 0 0 0 0, 0.0 352,-0.2 0, 0.0 -4,-0.2 -0.371 27.6-140.4 -59.5 150.5 14.5 -10.8 19.5 76 95 A R S S+ 0 0 3 350,-2.1 -19,-3.1 1,-0.2 2,-0.4 0.723 88.2 35.1 -82.7 -24.6 16.9 -7.9 20.5 77 96 A V E -bd 57 427A 0 349,-1.2 351,-1.4 -21,-0.2 2,-0.5 -0.995 60.4-170.2-135.6 131.1 18.1 -10.1 23.4 78 97 A L E -bd 58 428A 0 -21,-2.3 -19,-2.4 -2,-0.4 2,-0.5 -0.992 17.0-165.0-114.3 126.1 18.6 -13.8 23.9 79 98 A I E +bd 59 429A 2 349,-2.7 351,-2.4 -2,-0.5 2,-0.5 -0.944 14.3 176.3-119.6 124.2 19.3 -14.9 27.5 80 99 A A E +bd 60 430A 0 -21,-3.0 -19,-2.4 -2,-0.5 2,-0.3 -0.935 14.0 178.7-129.9 109.0 20.7 -18.2 28.6 81 100 A N E - d 0 431A 30 349,-2.5 351,-2.9 -2,-0.5 2,-0.4 -0.853 11.4-163.4-118.1 145.6 21.4 -18.5 32.3 82 101 A S E - d 0 432A 17 -2,-0.3 2,-0.2 349,-0.2 351,-0.2 -0.965 12.7-178.0-127.6 141.8 22.7 -21.4 34.5 83 102 A N E + d 0 433A 103 349,-2.6 351,-1.0 -2,-0.4 2,-0.4 -0.706 21.5 173.0-136.6 79.4 22.5 -21.9 38.2 84 103 A L E - d 0 434A 54 -2,-0.2 351,-0.2 349,-0.2 -2,-0.1 -0.756 22.3-147.5 -92.2 135.8 24.4 -25.2 38.8 85 104 A V - 0 0 48 349,-2.3 351,-0.3 -2,-0.4 353,-0.1 -0.897 23.6-121.1-101.1 130.6 25.1 -26.4 42.3 86 105 A P > - 0 0 60 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.332 27.4-108.5 -64.7 151.8 28.4 -28.3 42.6 87 106 A A G > S+ 0 0 53 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.938 118.8 56.3 -48.4 -51.5 28.0 -31.9 44.0 88 107 A W G 3 S+ 0 0 186 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.799 105.7 52.8 -53.6 -28.6 29.6 -31.0 47.4 89 108 A A G X S+ 0 0 19 -3,-1.2 3,-1.0 1,-0.2 -1,-0.3 0.440 80.5 99.7 -89.1 3.7 27.0 -28.2 47.8 90 109 A T T < S+ 0 0 23 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.1 0.902 77.6 52.9 -58.7 -45.0 24.0 -30.7 47.2 91 110 A W T 3 S+ 0 0 204 -3,-0.4 2,-3.6 -4,-0.3 -1,-0.3 0.649 77.4 93.1 -74.9 -13.1 23.1 -31.2 50.9 92 111 A D < 0 0 118 -3,-1.0 -1,-0.2 1,-0.2 -3,-0.1 -0.333 360.0 360.0 -68.1 63.6 22.9 -27.4 51.5 93 112 A H 0 0 194 -2,-3.6 -1,-0.2 0, 0.0 -2,-0.2 0.965 360.0 360.0 48.6 360.0 19.2 -28.4 50.7 94 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 130 A G 0 0 54 0, 0.0 335,-0.1 0, 0.0 350,-0.1 0.000 360.0 360.0 360.0 -85.8 14.7 -14.0 35.2 96 131 A S - 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