==== 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 1FWA . 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) . 29052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 67.8 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 . 53 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 21.3 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 3 1 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 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.8 100.3 78.4 92.8 2 2 A E - 0 0 172 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.912 360.0-160.3 52.1 54.7 97.4 76.1 91.7 3 3 A L - 0 0 59 4,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.478 2.8-145.8 -71.1 126.5 94.7 78.4 92.9 4 4 A T >> - 0 0 40 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.332 32.8 -96.9 -81.4 167.9 91.4 76.7 93.4 5 5 A P H 3> S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.917 124.0 53.4 -54.8 -43.9 88.1 78.6 92.7 6 6 A R H 3> S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.811 106.5 51.1 -62.3 -32.4 87.7 79.5 96.5 7 7 A E H <> S+ 0 0 87 -3,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.889 112.0 47.3 -72.3 -39.4 91.2 81.0 96.7 8 8 A K H X S+ 0 0 123 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.836 108.4 55.4 -69.4 -32.5 90.5 83.2 93.7 9 9 A D H >X S+ 0 0 19 -4,-2.0 3,-1.3 1,-0.2 4,-1.1 0.921 104.7 53.3 -66.2 -42.0 87.1 84.2 95.2 10 10 A K H 3X S+ 0 0 36 -4,-1.7 4,-2.5 1,-0.3 -1,-0.2 0.762 97.2 65.6 -65.0 -25.0 88.9 85.4 98.4 11 11 A L H 3X S+ 0 0 93 -4,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.778 98.8 54.6 -66.5 -26.2 91.1 87.6 96.2 12 12 A L H S+ 0 0 48 -4,-1.6 5,-2.1 2,-0.2 4,-0.5 0.898 109.1 50.8 -71.7 -40.0 88.9 105.4 102.1 24 24 A L H ><5S+ 0 0 49 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.915 108.1 55.7 -62.2 -39.2 88.8 104.9 105.9 25 25 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 102.1 55.2 -62.9 -32.1 92.4 106.3 105.8 26 26 A R T 3<5S- 0 0 170 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.537 123.7-105.9 -76.3 -13.0 91.1 109.5 104.1 27 27 A G T < 5 + 0 0 65 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.674 69.0 148.2 96.4 18.8 88.6 110.0 106.9 28 28 A L < - 0 0 82 -5,-2.1 2,-0.7 1,-0.0 -1,-0.3 -0.534 53.5-116.0 -85.7 153.2 85.5 108.9 105.1 29 29 A K - 0 0 122 -2,-0.2 40,-0.3 40,-0.1 41,-0.1 -0.821 42.1-121.7 -86.7 118.6 82.5 107.3 106.9 30 30 A L B -a 69 0A 0 38,-2.4 40,-2.8 -2,-0.7 43,-0.1 -0.252 20.5-139.7 -65.8 150.3 82.3 103.8 105.3 31 31 A N > - 0 0 7 38,-0.2 4,-2.2 736,-0.1 5,-0.2 -0.268 38.0 -78.4 -95.9-172.1 79.2 102.5 103.5 32 32 A Y H > S+ 0 0 57 733,-2.0 4,-2.1 2,-0.2 5,-0.2 0.958 125.7 38.6 -57.9 -62.0 77.7 99.0 103.5 33 33 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.906 116.1 53.1 -59.7 -37.8 79.9 97.1 101.1 34 34 A E H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 109.5 48.9 -62.2 -42.3 83.1 98.8 102.4 35 35 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.936 111.2 48.6 -64.1 -46.4 82.4 97.9 106.0 36 36 A V H X S+ 0 0 9 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.895 113.5 47.4 -61.1 -43.3 81.7 94.3 105.3 37 37 A A H X S+ 0 0 5 -4,-2.2 4,-2.7 -5,-0.2 -20,-0.2 0.909 110.8 50.9 -65.9 -44.2 84.9 93.9 103.3 38 38 A L H X S+ 0 0 19 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.939 114.7 41.3 -61.2 -48.7 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 0.900 115.5 52.0 -67.9 -39.2 85.9 93.5 108.8 40 40 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.942 109.3 48.0 -61.6 -49.3 85.9 90.3 106.7 41 41 A A H X S+ 0 0 13 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.823 107.6 58.3 -61.9 -31.8 89.5 90.8 105.5 42 42 A F H X S+ 0 0 75 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.928 106.8 47.0 -62.7 -47.1 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 0.889 107.3 56.3 -63.5 -40.4 89.3 88.1 110.2 44 44 A M H X S+ 0 0 21 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.893 109.1 46.5 -60.9 -39.5 91.0 86.3 107.3 45 45 A E H X S+ 0 0 95 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.825 107.2 58.8 -70.9 -32.3 94.4 87.7 108.3 46 46 A G H X>S+ 0 0 4 -4,-1.6 5,-2.2 1,-0.2 4,-0.9 0.928 106.4 47.4 -60.8 -45.8 93.6 86.8 111.9 47 47 A A H <5S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.872 108.8 54.2 -62.6 -39.4 93.3 83.2 110.9 48 48 A R H <5S+ 0 0 187 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.0 52.9 -63.6 -32.6 96.5 83.4 108.9 49 49 A D H <5S- 0 0 114 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.703 122.0-109.4 -73.9 -22.6 98.2 84.7 112.1 50 50 A G T <5 + 0 0 41 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.627 61.6 156.1 102.3 15.9 96.9 81.6 114.0 51 51 A K < - 0 0 69 -5,-2.2 -1,-0.2 1,-0.1 2,-0.1 -0.386 44.4-108.0 -72.1 154.3 94.3 83.3 116.2 52 52 A S > - 0 0 58 1,-0.1 4,-1.9 34,-0.1 5,-0.2 -0.376 20.4-115.1 -79.8 161.7 91.5 81.1 117.4 53 53 A V H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 117.0 54.0 -60.2 -44.1 87.9 81.3 116.2 54 54 A A H > S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.890 107.7 48.7 -57.7 -44.4 86.8 82.5 119.7 55 55 A S H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 3,-0.5 0.895 112.6 47.9 -64.2 -42.2 89.3 85.3 119.8 56 56 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.899 101.7 62.6 -67.9 -38.4 88.2 86.5 116.3 57 57 A M H < S+ 0 0 75 -4,-2.6 39,-0.3 1,-0.2 -1,-0.2 0.788 115.8 35.3 -55.6 -27.8 84.5 86.4 117.1 58 58 A E H >< S+ 0 0 101 -4,-0.8 3,-2.0 -3,-0.5 -2,-0.2 0.902 115.9 50.4 -89.9 -55.6 85.3 89.0 119.7 59 59 A E H >< S+ 0 0 68 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.806 99.7 67.7 -54.6 -34.6 88.1 91.1 118.0 60 60 A G G >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.3 4,-0.3 0.700 89.9 63.7 -61.3 -20.4 85.9 91.5 114.9 61 61 A R G < S+ 0 0 74 -3,-2.0 -1,-0.3 1,-0.2 39,-0.3 0.382 100.1 55.1 -85.0 4.7 83.5 93.7 116.9 62 62 A H G < S+ 0 0 115 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.077 78.7 88.3-125.6 24.3 86.2 96.3 117.4 63 63 A V S < S+ 0 0 34 -3,-0.8 2,-0.3 35,-0.3 -2,-0.1 0.867 98.9 16.8 -88.0 -41.9 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 -0.974 68.7-152.9-134.0 145.5 84.8 99.8 113.1 65 65 A T > - 0 0 45 -2,-0.3 3,-2.0 34,-0.2 4,-0.4 -0.705 36.8-100.2-112.3 167.5 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 0.795 120.7 58.5 -56.8 -28.8 79.3 103.6 114.6 67 67 A E G 3 S+ 0 0 133 1,-0.2 -1,-0.3 -38,-0.0 4,-0.1 0.535 100.8 55.9 -81.3 -5.8 81.1 106.9 114.2 68 68 A Q G < S+ 0 0 68 -3,-2.0 -38,-2.4 -39,-0.1 2,-0.3 0.428 103.7 61.0-103.5 -1.4 83.2 105.6 111.3 69 69 A V B < S-a 30 0A 3 -3,-0.8 -38,-0.2 -4,-0.4 3,-0.1 -0.847 89.3 -93.7-124.6 161.6 80.4 104.4 109.1 70 70 A M > - 0 0 44 -40,-2.8 3,-1.5 -2,-0.3 -2,-0.1 -0.233 57.6 -77.8 -66.6 160.2 77.4 106.1 107.4 71 71 A E T 3 S+ 0 0 118 1,-0.2 -1,-0.1 2,-0.1 32,-0.1 -0.266 116.5 17.0 -60.8 141.0 73.9 106.2 109.1 72 72 A G T 3> S+ 0 0 3 -3,-0.1 4,-0.8 31,-0.1 3,-0.3 0.127 94.6 106.1 84.7 -21.6 72.0 103.0 109.0 73 73 A V H X> S+ 0 0 0 -3,-1.5 3,-1.2 1,-0.2 4,-0.7 0.907 73.0 55.6 -59.4 -44.9 75.0 100.9 108.1 74 74 A P H >4 S+ 0 0 10 0, 0.0 3,-0.7 0, 0.0 25,-0.2 0.879 109.7 48.5 -56.4 -35.9 75.3 99.3 111.6 75 75 A E H 34 S+ 0 0 79 -3,-0.3 -2,-0.2 1,-0.2 28,-0.0 0.624 103.6 60.0 -78.1 -17.1 71.7 98.1 111.3 76 76 A M H << S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.8 -3,-0.1 0.524 103.6 56.7 -85.0 -9.7 72.3 96.7 107.8 77 77 A I << + 0 0 5 -3,-0.7 22,-0.4 -4,-0.7 -1,-0.2 -0.616 54.0 161.7-124.2 74.5 75.0 94.4 109.3 78 78 A P S S- 0 0 73 0, 0.0 19,-3.1 0, 0.0 2,-0.3 0.726 77.7 -11.2 -63.7 -21.3 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 -0.970 60.1-138.6-169.8 160.6 76.5 89.9 111.7 80 80 A I E -B 95 0B 4 15,-1.9 15,-2.9 -2,-0.3 2,-0.4 -0.986 17.4-170.0-130.1 139.2 79.4 89.1 109.4 81 81 A Q E +B 94 0B 30 -2,-0.4 590,-2.9 588,-0.3 2,-0.3 -0.997 13.6 156.0-132.9 138.2 80.6 85.6 108.5 82 82 A V E -B 93 0B 0 11,-1.6 11,-2.6 -2,-0.4 2,-0.3 -0.975 24.7-144.1-156.8 149.5 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 -0.888 22.3 166.4-117.3 150.8 85.9 81.4 106.5 84 84 A A E -B 91 0B 16 7,-1.3 7,-1.6 -2,-0.3 2,-0.9 -0.968 45.8 -86.7-155.7 162.7 89.6 81.1 106.3 85 85 A T E -B 90 0B 103 -2,-0.3 5,-0.3 5,-0.2 -2,-0.0 -0.700 46.0-172.4 -80.9 106.2 92.3 78.4 106.6 86 86 A F E > -B 89 0B 8 3,-2.7 3,-2.0 -2,-0.9 -38,-0.1 -0.366 46.3 -93.1 -84.9 172.7 93.3 78.3 110.3 87 87 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.839 132.3 47.9 -58.5 -27.8 96.2 76.2 111.4 88 88 A D T 3 S- 0 0 108 1,-0.3 2,-0.1 0, 0.0 -3,-0.0 -0.062 126.3 -92.1-101.6 31.9 93.7 73.5 112.1 89 89 A G E < S-B 86 0B 30 -3,-2.0 -3,-2.7 2,-0.0 -1,-0.3 -0.350 73.1 -15.5 92.8-174.1 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 -0.470 64.5 172.1 -69.4 132.1 88.9 75.9 107.4 91 91 A K E -B 84 0B 82 -7,-1.6 -7,-1.3 -2,-0.2 2,-0.5 -0.968 29.6-120.9-139.5 155.7 86.7 77.3 110.1 92 92 A L E -B 83 0B 43 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.838 18.9-161.0-101.7 127.6 83.8 79.7 110.1 93 93 A V E -B 82 0B 1 -11,-2.6 -11,-1.6 -2,-0.5 2,-0.5 -0.935 5.5-170.3-109.0 126.7 83.9 83.0 112.1 94 94 A T E -B 81 0B 20 -2,-0.5 2,-0.6 -13,-0.2 -13,-0.2 -0.985 2.2-167.3-118.9 117.8 80.6 84.6 112.9 95 95 A V E -B 80 0B 0 -15,-2.9 -15,-1.9 -2,-0.5 2,-0.3 -0.937 13.2-147.9-107.5 111.9 80.8 88.1 114.4 96 96 A H E S-B 79 0B 117 -2,-0.6 -17,-0.3 -39,-0.3 -2,-0.0 -0.634 74.9 -9.1 -82.3 138.0 77.5 89.3 115.8 97 97 A N S S- 0 0 92 -19,-3.1 -1,-0.3 -2,-0.3 -18,-0.2 0.914 75.2-177.0 40.2 63.1 76.7 93.0 115.6 98 98 A P + 0 0 0 0, 0.0 2,-0.5 0, 0.0 -34,-0.4 0.766 62.5 59.7 -58.8 -30.1 80.2 93.9 114.5 99 99 A I 0 0 5 -22,-0.4 -34,-0.2 -25,-0.2 -22,-0.1 -0.921 360.0 360.0-110.4 123.8 79.6 97.7 114.5 100 100 A I 0 0 95 -36,-0.6 -35,-0.2 -2,-0.5 -1,-0.1 0.536 360.0 360.0-138.4 360.0 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 58 0, 0.0 125,-0.1 0, 0.0 -30,-0.1 0.000 360.0 360.0 360.0 123.4 66.8 106.8 109.5 103 2 B I > - 0 0 60 123,-0.1 3,-1.8 -32,-0.1 121,-0.1 -0.984 360.0-112.5-130.5 116.4 67.2 103.1 109.4 104 3 B P T 3 S- 0 0 7 0, 0.0 536,-0.3 0, 0.0 123,-0.3 -0.250 95.6 -1.9 -50.4 129.2 67.0 101.5 105.9 105 4 B G T 3 S+ 0 0 9 121,-2.7 535,-0.3 534,-0.4 122,-0.1 0.670 91.7 169.6 62.2 23.2 63.9 99.3 105.5 106 5 B E < - 0 0 58 -3,-1.8 118,-2.5 120,-0.3 2,-0.3 -0.239 29.0-126.4 -69.0 151.3 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 -0.654 10.4-160.5 -93.8 153.7 59.4 98.6 110.3 108 7 B H E -C 222 0C 109 114,-2.6 114,-2.3 -2,-0.3 2,-0.4 -0.836 23.0-171.7-131.8 81.5 56.9 100.8 112.1 109 8 B V - 0 0 22 -2,-0.4 112,-0.1 112,-0.2 100,-0.1 -0.697 22.5-124.6 -79.0 129.8 54.8 98.1 113.7 110 9 B K - 0 0 102 -2,-0.4 98,-0.1 1,-0.1 111,-0.1 -0.585 34.1-106.1 -76.8 138.9 51.7 99.4 115.4 111 10 B P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.263 72.1 71.7 -64.4 151.3 51.4 98.4 119.1 112 11 B G S S- 0 0 43 2,-0.0 96,-2.2 0, 0.0 97,-0.3 -0.944 70.5 -78.3 143.6-160.6 49.1 95.7 120.3 113 12 B Q E -E 207 0D 132 -2,-0.3 2,-0.5 94,-0.3 94,-0.3 -0.970 23.1-132.0-142.3 155.9 48.6 92.0 120.2 114 13 B I E -E 206 0D 7 92,-3.4 92,-1.9 -2,-0.3 2,-0.5 -0.908 18.8-139.2-110.7 129.8 47.4 89.3 117.8 115 14 B A E -E 205 0D 45 -2,-0.5 3,-0.4 90,-0.2 2,-0.3 -0.827 24.7-146.2 -90.0 125.9 44.9 86.7 119.0 116 15 B L - 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