==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-NOV-09 3AA8 . COMPND 2 MOLECULE: DIVALENT-CATION TOLERANCE PROTEIN CUTA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.MATSUURA,T.TANAKA,B.BAGAUTDINOV,N.KUNISHIMA,K.YUTANI . 312 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 35.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 0 0 0 3 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 4 2 0 0 3 0 0 0 3 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 0 0 0 0 0 0 0 0 0 0 1 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 9 A T 0 0 106 0, 0.0 99,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 138.9 -0.1 0.6 13.2 2 10 A A - 0 0 62 59,-0.1 60,-2.7 1,-0.1 61,-0.4 -0.387 360.0-147.5 -66.2 141.9 1.5 -2.8 12.5 3 11 A V E -A 61 0A 5 85,-0.4 85,-1.4 58,-0.3 2,-0.3 -0.700 11.7-163.8-110.5 166.2 0.8 -4.1 9.0 4 12 A V E -AB 60 87A 7 56,-2.8 56,-1.6 -2,-0.2 2,-0.5 -0.942 18.6-124.1-144.1 163.6 0.3 -7.6 7.7 5 13 A V E -AB 59 86A 2 81,-2.7 81,-2.8 -2,-0.3 2,-0.5 -0.945 24.3-154.6-112.6 132.6 0.4 -9.6 4.5 6 14 A V E -AB 58 85A 0 52,-2.9 52,-2.6 -2,-0.5 2,-0.5 -0.917 1.1-154.9-113.0 130.8 -2.7 -11.6 3.5 7 15 A L E +AB 57 84A 18 77,-2.4 77,-2.0 -2,-0.5 2,-0.3 -0.893 24.6 156.6-104.7 128.5 -2.6 -14.7 1.3 8 16 A C E -AB 56 83A 0 48,-1.5 48,-3.1 -2,-0.5 2,-0.4 -0.977 25.8-146.4-145.6 146.1 -5.8 -15.6 -0.6 9 17 A T E -A 55 0A 10 73,-0.5 46,-0.2 -2,-0.3 73,-0.2 -0.907 7.0-158.6-118.0 148.9 -6.2 -17.6 -3.7 10 18 A A E -A 54 0A 0 44,-2.1 44,-2.8 -2,-0.4 3,-0.0 -0.951 22.6-131.6-124.8 146.2 -8.8 -17.2 -6.4 11 19 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.626 88.5 14.2 -69.6 -16.5 -10.0 -19.8 -9.0 12 20 A D S > S- 0 0 64 42,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.997 75.8-107.4-158.7 161.6 -9.6 -17.3 -11.8 13 21 A E H > S+ 0 0 91 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.860 116.0 50.9 -56.3 -41.3 -8.2 -14.0 -13.0 14 22 A A H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 111.3 47.4 -66.4 -44.9 -11.5 -12.3 -13.1 15 23 A T H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.933 112.2 51.4 -60.9 -44.3 -12.4 -13.4 -9.6 16 24 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 112.6 44.4 -59.2 -45.7 -9.0 -12.3 -8.3 17 25 A Q H X S+ 0 0 79 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.872 114.2 49.8 -68.2 -36.3 -9.3 -8.8 -9.9 18 26 A D H X S+ 0 0 81 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.904 111.3 49.0 -69.2 -40.5 -12.9 -8.4 -8.6 19 27 A L H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.2 5,-0.2 0.916 114.3 44.7 -64.3 -45.2 -11.9 -9.5 -5.1 20 28 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.916 110.6 55.9 -65.1 -43.1 -9.0 -7.0 -5.0 21 29 A A H X S+ 0 0 27 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.904 110.9 42.3 -57.8 -44.0 -11.1 -4.2 -6.5 22 30 A K H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.877 112.9 49.5 -76.3 -35.4 -13.8 -4.4 -3.8 23 31 A V H <>S+ 0 0 0 -4,-1.8 5,-3.2 2,-0.2 6,-0.8 0.866 115.5 46.1 -70.1 -33.1 -11.6 -4.7 -0.7 24 32 A L H ><5S+ 0 0 4 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.930 112.4 49.2 -72.1 -45.0 -9.5 -1.8 -2.0 25 33 A A H 3<5S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.862 110.7 51.5 -60.5 -35.5 -12.6 0.3 -2.8 26 34 A E T 3<5S- 0 0 128 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.479 113.7-125.6 -78.6 -2.8 -13.9 -0.6 0.7 27 35 A K T < 5S+ 0 0 110 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.865 75.4 126.1 57.9 40.0 -10.5 0.6 2.0 28 36 A L S S-C 47 0A 131 3,-2.8 3,-1.2 -2,-0.5 -2,-0.0 -0.981 71.9 -14.0-134.3 118.3 -10.5 -33.3 -0.5 45 53 A E T 3 S- 0 0 162 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.940 131.9 -48.2 54.3 51.8 -12.7 -36.1 0.6 46 54 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.532 119.2 107.4 70.3 7.1 -9.9 -38.6 0.5 47 55 A K E < S- C 0 44A 133 -3,-1.2 -3,-2.8 -5,-0.0 2,-0.6 -0.917 70.5-122.0-123.3 146.6 -8.7 -37.5 -3.0 48 56 A L E - C 0 43A 74 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.719 35.6-171.9 -84.1 118.3 -5.8 -35.5 -4.3 49 57 A E E - C 0 42A 68 -7,-3.2 -7,-1.7 -2,-0.6 2,-0.4 -0.834 14.8-165.3-111.7 148.9 -7.0 -32.4 -6.2 50 58 A Q E + C 0 41A 115 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.918 15.0 179.1-136.0 108.8 -5.1 -29.9 -8.2 51 59 A E E - C 0 40A 73 -11,-2.0 -11,-2.5 -2,-0.4 2,-0.2 -0.833 30.3-116.4-111.2 147.7 -6.8 -26.7 -9.1 52 60 A Y E + C 0 39A 88 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.566 44.0 174.5 -76.9 145.4 -5.6 -23.7 -11.0 53 61 A V E - C 0 38A 3 -15,-2.1 -15,-1.5 -2,-0.2 2,-0.5 -0.992 36.4-131.7-152.8 157.9 -5.4 -20.6 -9.0 54 62 A V E -A 10 0A 2 -44,-2.8 -44,-2.1 -2,-0.3 2,-0.5 -0.961 33.5-133.0-108.1 123.6 -4.3 -17.0 -8.9 55 63 A Q E -AC 9 35A 2 -20,-2.8 -20,-2.7 -2,-0.5 2,-0.4 -0.693 22.0-159.0 -82.8 124.1 -2.2 -16.3 -5.8 56 64 A M E -AC 8 34A 0 -48,-3.1 -48,-1.5 -2,-0.5 2,-0.4 -0.825 12.3-173.3-105.7 143.2 -3.3 -13.1 -4.1 57 65 A I E -AC 7 33A 19 -24,-2.1 -24,-3.0 -2,-0.4 2,-0.4 -0.957 11.4-173.3-135.3 112.5 -1.2 -11.1 -1.7 58 66 A L E -AC 6 32A 0 -52,-2.6 -52,-2.9 -2,-0.4 2,-0.5 -0.873 12.4-148.3-113.3 142.1 -2.9 -8.2 0.1 59 67 A K E +AC 5 31A 0 -28,-2.5 -29,-3.4 -2,-0.4 -28,-1.0 -0.925 36.3 128.2-112.5 127.8 -1.4 -5.5 2.3 60 68 A T E -A 4 0A 0 -56,-1.6 -56,-2.8 -2,-0.5 2,-0.2 -0.844 51.4 -84.0-154.3-172.1 -3.3 -4.0 5.2 61 69 A T E >> -A 3 0A 2 -58,-0.3 3,-1.2 -2,-0.2 4,-1.1 -0.627 35.6-108.8-104.9 165.9 -3.0 -3.2 8.9 62 70 A V T 34 S+ 0 0 64 -60,-2.7 4,-0.5 1,-0.3 -59,-0.1 0.793 118.8 61.4 -60.8 -27.5 -3.7 -5.4 12.0 63 71 A S T 34 S+ 0 0 87 -61,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.778 111.1 36.7 -70.0 -27.8 -6.7 -3.1 12.6 64 72 A H T <> S+ 0 0 53 -3,-1.2 4,-3.1 2,-0.1 5,-0.2 0.515 89.3 95.1-103.2 -7.6 -8.3 -4.1 9.3 65 73 A Q H X S+ 0 0 30 -4,-1.1 4,-2.6 1,-0.2 5,-0.2 0.912 87.1 45.9 -51.1 -52.8 -7.3 -7.8 9.1 66 74 A Q H > S+ 0 0 125 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.939 117.1 45.3 -57.2 -47.4 -10.5 -9.2 10.6 67 75 A A H > S+ 0 0 34 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.866 111.8 52.8 -64.5 -37.7 -12.6 -6.9 8.4 68 76 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.928 109.6 46.9 -66.1 -45.7 -10.6 -7.7 5.3 69 77 A L H X S+ 0 0 7 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.914 111.4 51.7 -63.2 -42.5 -10.9 -11.5 5.7 70 78 A E H X S+ 0 0 118 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.907 112.2 46.6 -60.2 -42.5 -14.7 -11.2 6.3 71 79 A C H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.909 114.7 46.2 -66.8 -42.4 -15.1 -9.1 3.1 72 80 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.919 115.8 45.3 -66.6 -44.5 -12.9 -11.5 1.1 73 81 A K H < S+ 0 0 39 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 110.1 56.5 -64.7 -42.4 -14.7 -14.6 2.4 74 82 A S H < S+ 0 0 88 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.929 117.9 31.2 -55.6 -47.7 -18.1 -12.9 1.9 75 83 A H H < S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.597 94.2 109.4 -89.6 -11.2 -17.5 -12.2 -1.8 76 84 A H < - 0 0 11 -4,-1.7 -66,-0.1 -5,-0.2 -4,-0.0 -0.440 68.4-135.4 -68.4 136.7 -15.3 -15.3 -2.6 77 85 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.809 84.2 78.3 -60.6 -33.5 -16.9 -18.0 -4.7 78 86 A Y S S- 0 0 87 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.421 79.1-134.9 -77.4 155.7 -15.6 -20.8 -2.5 79 87 A Q S S+ 0 0 151 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.929 101.1 20.7 -74.5 -46.2 -17.3 -21.6 0.9 80 88 A T S S- 0 0 54 120,-0.1 -1,-0.2 121,-0.1 3,-0.1 -0.626 84.1-177.4-126.2 74.0 -14.0 -21.9 2.8 81 89 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 120,-0.2 -0.253 40.9 -89.4 -69.8 156.6 -11.3 -20.0 0.8 82 90 A E + 0 0 7 -73,-0.2 -73,-0.5 119,-0.1 2,-0.3 -0.535 53.5 168.6 -66.8 119.8 -7.6 -19.8 1.9 83 91 A L E +B 8 0A 0 -2,-0.4 115,-2.1 115,-0.2 2,-0.4 -0.822 6.3 160.4-140.3 96.5 -7.4 -16.8 4.1 84 92 A L E -BF 7 197A 0 -77,-2.0 -77,-2.4 -2,-0.3 2,-0.4 -0.936 24.8-149.5-123.0 144.0 -4.1 -16.5 6.1 85 93 A V E -BF 6 196A 0 111,-3.4 110,-1.2 -2,-0.4 111,-1.2 -0.932 8.5-168.5-117.0 130.5 -2.4 -13.6 7.8 86 94 A L E -B 5 0A 7 -81,-2.8 -81,-2.7 -2,-0.4 108,-0.2 -0.948 22.3-122.4-117.4 137.5 1.4 -13.1 8.2 87 95 A P E -B 4 0A 27 0, 0.0 2,-0.6 0, 0.0 -83,-0.2 -0.434 10.4-143.5 -78.6 150.1 3.0 -10.4 10.4 88 96 A V - 0 0 16 -85,-1.4 -85,-0.4 209,-0.2 209,-0.2 -0.964 12.2-172.9-114.2 112.9 5.4 -7.8 9.2 89 97 A T - 0 0 82 207,-1.6 2,-0.3 -2,-0.6 208,-0.2 0.735 68.7 -0.4 -78.7 -23.7 8.1 -7.1 11.8 90 98 A H E +G 296 0A 54 206,-1.1 206,-3.1 -87,-0.0 2,-0.3 -0.986 63.3 166.7-160.4 161.8 9.6 -4.2 10.0 91 99 A G E -G 295 0A 1 -2,-0.3 204,-0.2 204,-0.2 2,-0.1 -0.978 47.9 -65.7-172.8 163.0 9.3 -2.1 6.9 92 100 A D > - 0 0 17 202,-1.8 4,-2.8 -2,-0.3 5,-0.2 -0.383 45.8-135.7 -58.7 132.0 10.4 1.1 5.1 93 101 A T H > S+ 0 0 105 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 101.3 48.8 -58.6 -51.0 8.9 4.0 7.1 94 102 A D H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 115.0 47.3 -58.6 -39.5 7.6 6.0 4.1 95 103 A Y H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.931 112.2 47.7 -67.2 -45.5 6.0 2.9 2.7 96 104 A L H X S+ 0 0 42 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.847 111.6 53.8 -62.6 -33.0 4.5 1.9 6.1 97 105 A S H X S+ 0 0 72 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.960 110.9 43.1 -65.1 -53.4 3.3 5.5 6.3 98 106 A W H X S+ 0 0 65 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.924 110.5 57.0 -58.1 -47.2 1.6 5.5 2.9 99 107 A L H X S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.913 112.4 41.0 -51.5 -47.6 0.1 2.0 3.6 100 108 A N H >< S+ 0 0 45 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.945 114.0 52.3 -66.7 -49.1 -1.6 3.4 6.7 101 109 A A H 3< S+ 0 0 81 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.789 99.8 64.5 -58.3 -29.6 -2.6 6.6 5.1 102 110 A S H 3< 0 0 35 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.755 360.0 360.0 -68.9 -21.2 -4.3 4.7 2.2 103 111 A L << 0 0 48 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.412 360.0 360.0 -92.8 360.0 -6.8 3.2 4.6 104 !* 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 0.0 105 7 B S 0 0 170 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.9 -9.3 -24.9 19.4 106 8 B N - 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