==== 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 HYDROLASE 23-APR-97 1FWB . COMPND 2 MOLECULE: UREASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR M.A.PEARSON,P.A.KARPLUS . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.9 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 . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 1 2 2 2 4 1 1 0 1 2 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 2 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 3 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 . 6 2 1 2 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 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.4 100.3 78.4 92.8 2 2 A E - 0 0 176 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.911 360.0-160.1 53.2 52.3 97.5 76.0 91.6 3 3 A L - 0 0 60 4,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.457 2.9-145.3 -69.1 125.8 94.8 78.4 92.9 4 4 A T > - 0 0 39 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.330 32.3 -97.8 -80.0 167.4 91.4 76.7 93.4 5 5 A P H > S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.910 123.9 53.9 -56.5 -40.7 88.1 78.6 92.7 6 6 A R H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.822 106.4 50.8 -64.5 -32.4 87.7 79.5 96.5 7 7 A E H > S+ 0 0 86 -3,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.893 112.0 47.4 -71.6 -39.9 91.2 81.0 96.7 8 8 A K H X S+ 0 0 124 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.847 108.9 55.3 -68.9 -32.2 90.5 83.2 93.7 9 9 A D H >X S+ 0 0 18 -4,-2.1 3,-1.1 1,-0.2 4,-1.1 0.918 104.8 52.7 -66.6 -41.5 87.1 84.2 95.2 10 10 A K H 3X S+ 0 0 37 -4,-1.8 4,-2.5 1,-0.3 -1,-0.2 0.755 97.8 65.8 -66.3 -24.1 88.8 85.4 98.4 11 11 A L H 3X S+ 0 0 91 -4,-0.9 4,-2.0 1,-0.2 -1,-0.3 0.806 98.4 54.8 -66.4 -28.5 91.2 87.6 96.3 12 12 A L H S+ 0 0 47 -4,-1.5 5,-2.1 2,-0.2 4,-0.4 0.886 108.8 50.9 -73.9 -38.0 88.9 105.4 102.2 24 24 A L H ><5S+ 0 0 49 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.911 107.6 56.2 -63.4 -39.4 88.9 105.0 105.9 25 25 A A H 3<5S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.1 55.2 -61.9 -32.1 92.4 106.4 105.8 26 26 A R T 3<5S- 0 0 170 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.546 123.5-106.2 -76.5 -12.9 91.1 109.5 104.1 27 27 A G T < 5 + 0 0 64 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.687 68.8 148.6 95.3 20.1 88.6 110.0 106.9 28 28 A L < - 0 0 81 -5,-2.1 2,-0.6 1,-0.0 -1,-0.3 -0.550 53.2-116.4 -86.4 152.8 85.5 108.9 105.1 29 29 A K - 0 0 122 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.815 41.7-121.6 -86.9 120.4 82.5 107.3 106.8 30 30 A L B -a 69 0A 0 38,-2.5 40,-2.7 -2,-0.6 43,-0.1 -0.306 20.3-140.0 -67.8 149.4 82.3 103.8 105.3 31 31 A N > - 0 0 8 38,-0.2 4,-2.1 736,-0.1 5,-0.2 -0.244 38.6 -78.3 -94.4-172.5 79.2 102.5 103.5 32 32 A Y H > S+ 0 0 56 733,-2.0 4,-2.1 1,-0.2 5,-0.2 0.953 125.6 38.7 -57.7 -61.4 77.7 99.0 103.5 33 33 A P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.895 115.7 53.7 -60.8 -36.1 80.0 97.1 101.2 34 34 A E H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 109.4 48.1 -63.3 -42.2 83.1 98.8 102.4 35 35 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.931 112.0 48.3 -64.7 -46.1 82.4 98.0 106.0 36 36 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.910 113.4 48.2 -61.3 -43.2 81.7 94.3 105.3 37 37 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 -20,-0.2 0.911 111.2 49.8 -65.0 -43.4 84.9 93.9 103.2 38 38 A L H X S+ 0 0 19 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.938 114.6 41.9 -62.9 -49.6 87.1 95.6 105.8 39 39 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.914 115.2 51.9 -66.0 -40.6 86.0 93.5 108.8 40 40 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.925 109.1 48.5 -61.0 -48.1 86.0 90.3 106.7 41 41 A A H X S+ 0 0 13 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.821 107.4 58.0 -62.3 -32.1 89.5 90.9 105.5 42 42 A F H X S+ 0 0 76 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.929 106.8 47.2 -63.1 -45.9 90.6 91.5 109.1 43 43 A I H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.890 107.3 56.1 -64.0 -41.6 89.3 88.1 110.2 44 44 A M H X S+ 0 0 21 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.898 109.5 46.2 -59.7 -40.0 91.0 86.3 107.3 45 45 A E H X S+ 0 0 95 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.843 107.6 58.2 -70.9 -32.7 94.4 87.7 108.3 46 46 A G H X>S+ 0 0 4 -4,-1.7 5,-2.3 1,-0.2 4,-0.8 0.923 106.8 47.6 -61.5 -43.4 93.6 86.8 111.9 47 47 A A H ><5S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.878 108.8 53.8 -64.5 -39.9 93.3 83.2 110.9 48 48 A R H 3<5S+ 0 0 187 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.7 53.5 -63.0 -34.6 96.5 83.4 108.9 49 49 A D H 3<5S- 0 0 116 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.691 122.3-109.2 -71.3 -23.1 98.2 84.6 112.1 50 50 A G T <<5 + 0 0 41 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.621 61.7 156.4 102.9 15.9 96.9 81.6 114.0 51 51 A K < - 0 0 69 -5,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.390 44.4-107.7 -72.6 152.6 94.3 83.3 116.2 52 52 A S > - 0 0 57 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.356 20.4-116.0 -77.4 161.2 91.5 81.1 117.5 53 53 A V H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 116.7 54.7 -61.1 -43.2 87.9 81.3 116.2 54 54 A A H > S+ 0 0 71 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.885 107.5 48.6 -57.9 -44.0 86.8 82.4 119.7 55 55 A S H >> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 3,-0.6 0.913 112.4 48.0 -63.8 -43.9 89.3 85.3 119.8 56 56 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.865 101.3 63.1 -66.9 -36.4 88.2 86.6 116.3 57 57 A M H 3< S+ 0 0 73 -4,-2.4 39,-0.3 1,-0.2 -1,-0.2 0.801 115.7 35.2 -57.6 -27.6 84.5 86.4 117.1 58 58 A E H X< S+ 0 0 100 -4,-0.8 3,-1.9 -3,-0.6 -2,-0.2 0.903 116.0 50.5 -90.1 -54.4 85.3 89.0 119.7 59 59 A E H >< S+ 0 0 68 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.798 99.6 68.0 -55.9 -32.6 88.1 91.1 118.0 60 60 A G G >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 4,-0.3 0.723 90.3 62.8 -62.2 -21.3 85.9 91.4 114.9 61 61 A R G < S+ 0 0 75 -3,-1.9 -1,-0.3 1,-0.2 39,-0.2 0.337 100.1 55.6 -85.6 6.0 83.5 93.7 116.9 62 62 A H G < S+ 0 0 116 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 0.056 78.9 87.9-126.8 25.9 86.2 96.2 117.4 63 63 A V S < S+ 0 0 34 -3,-0.8 2,-0.4 35,-0.3 -2,-0.1 0.866 98.7 17.2 -89.3 -43.6 87.3 97.0 113.8 64 64 A L - 0 0 1 34,-0.4 36,-0.6 -4,-0.3 -1,-0.3 -0.978 69.0-152.8-132.5 143.2 84.8 99.8 113.1 65 65 A T > - 0 0 45 -2,-0.4 3,-2.0 34,-0.2 4,-0.3 -0.679 36.5-100.4-109.6 168.0 82.6 101.9 115.3 66 66 A R G > S+ 0 0 115 1,-0.3 3,-0.8 -2,-0.2 7,-0.1 0.791 120.7 58.4 -57.2 -29.1 79.3 103.6 114.7 67 67 A E G 3 S+ 0 0 134 1,-0.2 -1,-0.3 -38,-0.0 4,-0.1 0.532 100.6 56.2 -80.9 -6.3 81.1 106.9 114.2 68 68 A Q G < S+ 0 0 68 -3,-2.0 -38,-2.5 -39,-0.1 2,-0.3 0.414 103.7 60.6-103.4 -0.4 83.2 105.6 111.3 69 69 A V B < S-a 30 0A 3 -3,-0.8 -38,-0.2 -4,-0.3 3,-0.1 -0.855 89.2 -93.3-126.3 161.5 80.4 104.4 109.1 70 70 A M > - 0 0 43 -40,-2.7 3,-1.5 -2,-0.3 -2,-0.1 -0.258 57.2 -77.9 -67.7 159.2 77.4 106.0 107.4 71 71 A E T 3 S+ 0 0 117 1,-0.2 -1,-0.1 2,-0.1 32,-0.1 -0.259 116.3 16.6 -59.5 138.9 73.9 106.2 109.1 72 72 A G T >> S+ 0 0 3 -3,-0.1 4,-0.9 31,-0.1 3,-0.5 0.066 94.9 105.6 86.9 -23.1 72.0 103.0 109.0 73 73 A V H X> S+ 0 0 0 -3,-1.5 3,-1.1 1,-0.2 4,-0.7 0.897 73.2 56.0 -58.2 -45.6 75.0 100.9 108.1 74 74 A P H >4 S+ 0 0 9 0, 0.0 3,-0.6 0, 0.0 25,-0.3 0.868 110.1 47.7 -55.8 -35.2 75.4 99.3 111.6 75 75 A E H <4 S+ 0 0 78 -3,-0.5 -2,-0.2 1,-0.2 28,-0.0 0.632 103.8 60.5 -78.5 -19.5 71.8 98.1 111.4 76 76 A M H << S+ 0 0 16 -3,-1.1 -1,-0.2 -4,-0.9 -3,-0.1 0.534 103.5 56.1 -83.3 -9.1 72.3 96.7 107.8 77 77 A I << + 0 0 5 -4,-0.7 22,-0.4 -3,-0.6 -1,-0.2 -0.633 54.6 162.5-125.5 75.3 75.0 94.4 109.3 78 78 A P S S- 0 0 73 0, 0.0 19,-3.2 0, 0.0 2,-0.3 0.747 77.7 -10.9 -63.2 -23.3 73.5 92.2 112.1 79 79 A D E -B 96 0B 60 17,-0.3 2,-0.4 18,-0.2 17,-0.2 -0.973 60.7-138.2-167.8 161.3 76.5 89.9 111.7 80 80 A I E -B 95 0B 4 15,-2.0 15,-2.9 -2,-0.3 2,-0.4 -0.991 17.8-170.3-130.1 138.5 79.5 89.1 109.5 81 81 A Q E +B 94 0B 31 -2,-0.4 590,-2.8 588,-0.3 2,-0.3 -0.995 13.6 155.3-133.1 138.6 80.6 85.7 108.5 82 82 A V E -B 93 0B 1 11,-1.6 11,-2.5 -2,-0.4 2,-0.3 -0.975 25.2-143.2-158.3 148.6 83.8 84.5 106.7 83 83 A E E +B 92 0B 12 588,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.868 22.5 166.9-116.4 151.0 85.9 81.4 106.5 84 84 A A E -B 91 0B 15 7,-1.3 7,-1.6 -2,-0.3 2,-1.0 -0.959 45.3 -86.5-154.7 163.9 89.6 81.1 106.3 85 85 A T E -B 90 0B 105 -2,-0.3 5,-0.3 5,-0.2 -2,-0.0 -0.716 46.3-173.2 -82.3 104.5 92.4 78.5 106.7 86 86 A F E > -B 89 0B 6 3,-2.6 3,-1.9 -2,-1.0 -38,-0.1 -0.355 46.2 -93.9 -84.7 172.3 93.3 78.3 110.3 87 87 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.831 131.6 47.9 -58.8 -26.9 96.2 76.2 111.5 88 88 A D T 3 S- 0 0 108 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 -0.058 126.2 -91.8-102.6 31.4 93.7 73.5 112.1 89 89 A G E < S-B 86 0B 30 -3,-1.9 -3,-2.6 2,-0.0 -1,-0.4 -0.371 73.6 -15.3 93.4-173.9 91.9 73.8 108.7 90 90 A S E +B 85 0B 59 -5,-0.3 2,-0.3 -2,-0.1 -5,-0.2 -0.488 64.7 173.1 -69.7 132.0 88.9 75.9 107.4 91 91 A K E -B 84 0B 80 -7,-1.6 -7,-1.3 -2,-0.2 2,-0.5 -0.966 29.0-121.1-139.4 154.2 86.7 77.3 110.2 92 92 A L E -B 83 0B 45 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.827 18.9-161.2-100.2 128.1 83.8 79.7 110.2 93 93 A V E -B 82 0B 0 -11,-2.5 -11,-1.6 -2,-0.5 2,-0.5 -0.947 5.6-170.6-110.7 123.7 83.9 83.0 112.1 94 94 A T E -B 81 0B 19 -2,-0.5 2,-0.6 -13,-0.2 -13,-0.2 -0.978 2.0-167.6-116.4 118.7 80.6 84.6 112.9 95 95 A V E -B 80 0B 0 -15,-2.9 -15,-2.0 -2,-0.5 2,-0.3 -0.938 12.7-148.6-108.4 112.1 80.8 88.1 114.4 96 96 A H E S-B 79 0B 116 -2,-0.6 -17,-0.3 -39,-0.3 -2,-0.0 -0.649 74.9 -9.0 -83.5 137.4 77.5 89.3 115.8 97 97 A N S S- 0 0 92 -19,-3.2 -1,-0.3 -2,-0.3 -18,-0.2 0.908 75.1-178.0 40.8 62.5 76.7 93.0 115.7 98 98 A P + 0 0 0 0, 0.0 2,-0.5 0, 0.0 -34,-0.4 0.786 62.4 60.3 -59.0 -30.9 80.3 93.9 114.5 99 99 A I 0 0 5 -22,-0.4 -34,-0.2 -25,-0.3 -22,-0.1 -0.902 360.0 360.0-109.3 123.8 79.6 97.7 114.5 100 100 A I 0 0 95 -36,-0.6 -35,-0.2 -2,-0.5 -1,-0.2 0.536 360.0 360.0-138.6 360.0 78.5 99.5 117.6 101 !* 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 0.0 102 1 B M 0 0 57 0, 0.0 125,-0.1 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 124.7 66.8 106.9 109.5 103 2 B I > - 0 0 61 123,-0.1 3,-1.8 -32,-0.1 121,-0.1 -0.986 360.0-112.3-129.6 118.0 67.3 103.1 109.3 104 3 B P T 3 S- 0 0 7 0, 0.0 536,-0.3 0, 0.0 123,-0.3 -0.243 95.5 -2.8 -51.8 130.0 67.0 101.5 105.9 105 4 B G T 3 S+ 0 0 9 121,-2.6 535,-0.3 534,-0.4 122,-0.1 0.665 91.3 169.0 61.0 22.9 63.9 99.3 105.5 106 5 B E < - 0 0 59 -3,-1.8 118,-2.6 120,-0.3 2,-0.3 -0.239 29.0-127.0 -67.9 152.4 62.8 99.8 109.1 107 6 B Y E -C 223 0C 63 116,-0.2 2,-0.4 2,-0.0 116,-0.2 -0.684 9.8-159.0 -96.3 154.3 59.4 98.7 110.3 108 7 B H E -C 222 0C 108 114,-2.7 114,-2.1 -2,-0.3 2,-0.4 -0.812 22.9-170.9-131.7 79.2 56.9 100.9 112.1 109 8 B V - 0 0 21 -2,-0.4 112,-0.1 112,-0.2 100,-0.1 -0.642 22.1-125.0 -75.8 129.0 54.8 98.1 113.7 110 9 B K - 0 0 100 -2,-0.4 111,-0.1 1,-0.1 98,-0.1 -0.599 34.3-105.8 -77.1 137.7 51.7 99.4 115.3 111 10 B P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.254 72.2 72.6 -62.9 150.3 51.4 98.4 119.1 112 11 B G S S- 0 0 43 2,-0.0 96,-2.3 0, 0.0 97,-0.3 -0.943 70.3 -79.6 144.4-162.0 49.1 95.7 120.3 113 12 B Q E -E 207 0D 131 -2,-0.3 2,-0.4 94,-0.3 94,-0.3 -0.965 23.6-131.3-141.1 156.1 48.6 92.0 120.2 114 13 B I E -E 206 0D 7 92,-3.6 92,-1.9 -2,-0.3 2,-0.6 -0.909 18.3-138.8-110.4 130.2 47.4 89.3 117.8 115 14 B A E -E 205 0D 45 -2,-0.4 3,-0.4 90,-0.2 2,-0.3 -0.815 24.5-146.3 -89.8 124.6 44.9 86.7 119.0 116 15 B L - 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