==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-SEP-12 4GY7 . COMPND 2 MOLECULE: UREASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR A.BEGUM,S.BANUMATHI,M.I.CHOUDHARY,C.BETZEL . 836 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 1 0.1 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 . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 4 3 0 2 2 3 2 0 2 0 2 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 3 3 3 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 0 PARALLEL BRIDGES PER LADDER . 1 4 6 4 1 0 1 2 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 . 5 2 0 3 0 0 0 0 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 1 A M 0 0 196 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.7 -6.4 -95.3 -8.8 2 2 A K - 0 0 197 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.898 360.0-164.5 55.4 48.6 -7.9 -95.0 -12.2 3 3 A L - 0 0 72 4,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.452 7.7-148.5 -70.4 126.2 -7.8 -91.2 -11.9 4 4 A S > - 0 0 24 -2,-0.3 4,-1.8 -3,-0.1 3,-0.5 -0.440 33.4-100.6 -79.9 162.5 -10.0 -89.3 -14.4 5 5 A P H > S+ 0 0 106 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.901 122.7 54.1 -54.9 -39.1 -8.8 -85.8 -15.5 6 6 A R H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 105.1 52.9 -67.2 -33.3 -11.3 -84.1 -13.1 7 7 A E H > S+ 0 0 93 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.906 109.0 49.4 -65.8 -39.9 -10.0 -86.0 -10.1 8 8 A V H X S+ 0 0 83 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.923 113.2 48.2 -62.7 -41.7 -6.4 -84.9 -10.9 9 9 A E H X S+ 0 0 33 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.892 109.8 50.2 -66.4 -42.8 -7.7 -81.3 -11.2 10 10 A K H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.820 105.2 58.3 -68.9 -30.6 -9.7 -81.4 -8.0 11 11 A L H X S+ 0 0 97 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.932 106.1 49.1 -61.6 -43.0 -6.6 -82.8 -6.2 12 12 A G H X S+ 0 0 36 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.902 109.8 51.6 -61.5 -40.3 -4.7 -79.7 -7.3 13 13 A L H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.938 109.4 50.1 -60.3 -46.6 -7.6 -77.5 -6.0 14 14 A H H X S+ 0 0 58 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.896 107.9 53.3 -59.5 -41.5 -7.5 -79.2 -2.7 15 15 A N H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.886 108.8 49.3 -62.3 -39.3 -3.7 -78.7 -2.5 16 16 A A H X S+ 0 0 24 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.902 110.2 51.8 -64.7 -40.5 -4.3 -75.0 -3.1 17 17 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 20,-0.3 -2,-0.2 0.895 108.4 50.6 -60.8 -41.7 -6.9 -75.0 -0.4 18 18 A Y H X S+ 0 0 86 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.879 107.6 52.9 -67.6 -38.6 -4.5 -76.6 2.1 19 19 A L H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.941 111.3 47.5 -56.3 -47.4 -1.9 -74.0 1.3 20 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.891 110.6 52.5 -61.8 -39.0 -4.5 -71.4 2.1 21 21 A Q H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.900 108.6 48.6 -63.7 -43.3 -5.4 -73.3 5.3 22 22 A K H X S+ 0 0 100 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.920 113.0 48.8 -62.1 -42.8 -1.8 -73.4 6.5 23 23 A R H ><>S+ 0 0 39 -4,-2.3 5,-2.3 1,-0.2 3,-1.0 0.948 111.8 48.2 -61.9 -48.1 -1.5 -69.7 5.8 24 24 A L H ><5S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.894 105.2 60.8 -56.0 -41.9 -4.8 -68.9 7.6 25 25 A A H 3<5S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 105.2 46.6 -64.1 -23.7 -3.6 -71.0 10.5 26 26 A R T <<5S- 0 0 177 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.362 127.6 -95.4 -98.0 6.7 -0.6 -68.8 11.1 27 27 A G T < 5 + 0 0 13 -3,-1.8 98,-0.5 -4,-0.3 2,-0.2 0.580 68.2 155.9 95.2 12.6 -2.7 -65.6 10.9 28 28 A V < - 0 0 36 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.509 44.5-129.3 -70.0 132.4 -2.2 -64.6 7.2 29 29 A R - 0 0 59 -2,-0.2 41,-0.3 41,-0.1 40,-0.1 -0.791 36.0-127.8 -79.6 115.3 -5.0 -62.5 5.8 30 30 A L B -a 70 0A 0 39,-2.6 41,-2.6 -2,-0.7 44,-0.2 -0.301 13.8-134.7 -70.8 145.4 -5.8 -64.4 2.7 31 31 A N > - 0 0 10 39,-0.2 4,-2.5 804,-0.1 5,-0.2 -0.338 37.9 -88.3 -86.3 178.3 -6.0 -62.8 -0.8 32 32 A Y H > S+ 0 0 49 801,-0.8 4,-2.3 1,-0.2 5,-0.2 0.904 126.2 48.7 -51.5 -48.5 -8.7 -63.4 -3.3 33 33 A T H > S+ 0 0 29 800,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.907 113.6 46.0 -65.6 -42.4 -7.1 -66.5 -4.9 34 34 A E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.877 110.4 53.8 -65.8 -40.3 -6.4 -68.1 -1.5 35 35 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.915 109.6 47.7 -63.7 -42.6 -9.9 -67.4 -0.3 36 36 A V H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.942 112.0 50.0 -62.7 -46.8 -11.5 -69.1 -3.3 37 37 A A H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 -20,-0.3 0.918 113.6 45.6 -58.1 -45.5 -9.2 -72.1 -3.0 38 38 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.950 114.8 45.3 -66.9 -48.2 -10.0 -72.6 0.7 39 39 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.944 115.4 46.6 -63.9 -45.4 -13.8 -72.1 0.4 40 40 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.916 113.1 49.5 -62.0 -43.1 -14.1 -74.4 -2.7 41 41 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.880 109.1 52.3 -64.7 -38.4 -11.9 -77.1 -1.0 42 42 A Q H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.891 106.7 52.8 -65.8 -39.0 -13.9 -77.0 2.2 43 43 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.949 110.2 48.5 -61.3 -44.7 -17.1 -77.5 0.2 44 44 A M H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.899 111.8 50.1 -59.2 -39.6 -15.6 -80.6 -1.4 45 45 A E H X S+ 0 0 54 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.898 109.4 48.6 -71.9 -40.1 -14.4 -81.9 2.0 46 46 A Y H X>S+ 0 0 18 -4,-2.7 4,-0.9 2,-0.2 5,-0.6 0.864 110.1 53.8 -64.4 -33.3 -17.8 -81.5 3.6 47 47 A A H ><5S+ 0 0 1 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.917 105.5 53.9 -64.5 -40.3 -19.3 -83.2 0.6 48 48 A R H 3<5S+ 0 0 183 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 101.9 57.7 -59.2 -37.2 -16.9 -86.1 1.2 49 49 A D H 3<5S- 0 0 92 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.756 97.6-147.5 -70.1 -24.7 -18.0 -86.4 4.8 50 50 A G T <<5 + 0 0 24 -4,-0.9 -3,-0.1 -3,-0.7 -2,-0.1 0.652 67.2 102.8 73.9 19.1 -21.5 -87.0 3.5 51 51 A E < + 0 0 158 -5,-0.6 2,-0.4 2,-0.1 -4,-0.1 0.394 66.6 70.6-111.4 -0.9 -23.5 -85.4 6.3 52 52 A K - 0 0 70 -6,-0.5 -2,-0.1 -5,-0.1 2,-0.1 -0.947 68.2-136.3-125.2 142.7 -24.5 -82.1 4.7 53 53 A T > - 0 0 74 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.348 32.1-106.1 -82.9 166.7 -26.8 -81.2 1.9 54 54 A V H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.942 123.5 51.3 -53.9 -47.7 -26.2 -78.8 -0.9 55 55 A A H > S+ 0 0 69 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.901 109.0 50.1 -59.5 -41.9 -28.5 -76.3 0.8 56 56 A Q H > S+ 0 0 91 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.896 110.6 49.6 -62.4 -39.9 -26.6 -76.7 4.1 57 57 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.805 100.8 62.2 -74.9 -27.9 -23.3 -76.1 2.3 58 58 A M H < S+ 0 0 73 -4,-2.1 39,-0.3 -5,-0.2 -1,-0.2 0.858 114.4 37.3 -58.5 -33.6 -24.6 -73.0 0.6 59 59 A X H >< S+ 0 0 152 -4,-1.1 3,-1.5 -3,-0.4 -2,-0.2 0.906 114.0 53.2 -82.8 -48.7 -25.0 -71.6 4.1 60 60 A L H >< S+ 0 0 9 -4,-3.0 3,-2.1 1,-0.3 4,-0.4 0.868 100.5 62.2 -57.2 -40.0 -21.9 -73.1 5.7 61 61 A G G >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.3 4,-0.4 0.750 96.5 60.3 -59.3 -22.8 -19.6 -71.7 3.0 62 62 A Q G < S+ 0 0 30 -3,-1.5 39,-0.7 -4,-0.2 -1,-0.3 0.501 102.6 52.8 -82.6 -5.2 -20.7 -68.2 4.1 63 63 A H G < S+ 0 0 31 -3,-2.1 43,-3.4 -4,-0.2 -1,-0.2 0.428 85.8 83.0-110.1 -0.9 -19.3 -68.7 7.6 64 64 A L S < S+ 0 0 0 -3,-0.6 2,-0.5 -4,-0.4 46,-0.3 0.915 94.6 28.6 -76.0 -47.6 -15.7 -69.9 6.8 65 65 A L - 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0 0 10 -2,-0.4 2,-1.3 -41,-0.2 -41,-0.2 -0.261 31.9 -98.3 -79.9 170.8 -15.3 -66.7 10.4 106 106 A E >> - 0 0 100 -43,-3.4 4,-1.9 1,-0.2 3,-1.0 -0.765 42.7-171.3 -84.8 91.7 -15.8 -70.0 12.1 107 107 A L H 3> S+ 0 0 8 -2,-1.3 4,-1.6 1,-0.3 -1,-0.2 0.745 77.8 63.2 -71.3 -21.3 -12.2 -71.0 11.8 108 108 A Q H 34 S+ 0 0 147 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.888 109.3 43.3 -63.2 -37.2 -12.8 -74.6 13.0 109 109 A E H X4 S+ 0 0 53 -3,-1.0 3,-0.9 2,-0.2 -2,-0.2 0.882 110.2 55.0 -73.4 -39.0 -15.0 -75.0 9.9 110 110 A A H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 -46,-0.3 -1,-0.2 0.816 117.7 37.5 -59.6 -30.6 -12.4 -73.2 7.7 111 111 A L T >< S+ 0 0 6 -4,-1.6 3,-2.4 -5,-0.2 4,-0.5 0.331 84.5 141.1-105.7 4.7 -9.8 -75.7 8.9 112 112 A F T < S+ 0 0 54 -3,-0.9 -67,-0.1 1,-0.3 -3,-0.1 -0.202 75.1 11.1 -50.7 131.1 -12.1 -78.7 8.9 113 113 A G T 3 S+ 0 0 48 1,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.283 104.4 95.6 85.4 -10.4 -10.3 -81.8 7.7 114 114 A S S < S- 0 0 10 -3,-2.4 -2,-0.1 2,-0.1 -1,-0.1 0.677 77.9-140.5 -86.9 -22.5 -6.9 -80.2 7.8 115 115 A L + 0 0 162 -4,-0.5 -3,-0.1 1,-0.3 3,-0.0 0.636 56.4 138.2 68.0 13.6 -5.7 -81.4 11.2 116 116 A L - 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