==== 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, UNKNOWN FUNCTION 17-FEB-03 1NZA . COMPND 2 MOLECULE: DIVALENT CATION TOLERANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,M.MIYANO,T.H.TAHIROV,RIKEN STRUCTURAL . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 72.8 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 . 28 27.2 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 . 1 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 . 10 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 1 0 1 0 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 0 0 0 1 0 0 1 0 0 1 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 1 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 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 0 115 0, 0.0 60,-2.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -36.6 56.1 64.6 12.2 2 2 A E E -A 60 0A 23 85,-0.4 85,-2.1 58,-0.2 2,-0.3 -0.611 360.0-172.3 -81.8 148.1 54.3 61.6 13.7 3 3 A E E -AB 59 86A 29 56,-2.8 56,-2.6 -2,-0.2 2,-0.6 -0.965 31.0-138.0-143.3 156.5 54.0 61.8 17.5 4 4 A V E -AB 58 85A 35 81,-2.4 81,-2.5 -2,-0.3 2,-0.5 -0.975 31.0-157.6-113.0 112.0 53.0 59.8 20.6 5 5 A V E -AB 57 84A 0 52,-3.2 52,-3.2 -2,-0.6 2,-0.4 -0.808 2.2-150.0 -97.5 131.2 51.1 62.2 22.9 6 6 A L E +AB 56 83A 37 77,-3.2 77,-2.1 -2,-0.5 2,-0.3 -0.836 21.1 167.8-100.3 136.8 50.8 61.5 26.6 7 7 A I E -AB 55 82A 0 48,-1.7 48,-3.2 -2,-0.4 2,-0.4 -0.989 18.6-153.5-145.1 133.9 47.7 62.7 28.5 8 8 A T E -A 54 0A 11 73,-0.5 73,-0.4 -2,-0.3 46,-0.2 -0.886 14.3-172.8-110.9 148.1 46.7 61.8 32.0 9 9 A V E -A 53 0A 0 44,-2.2 44,-2.0 -2,-0.4 3,-0.0 -0.926 30.0-124.6-135.4 158.7 43.1 61.9 33.2 10 10 A P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.641 85.7 19.0 -79.2 -16.8 41.3 61.4 36.5 11 11 A S S > S- 0 0 45 1,-0.1 4,-2.4 42,-0.1 42,-0.1 -0.983 70.7-113.7-153.1 162.1 38.8 58.6 35.5 12 12 A E H > S+ 0 0 131 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.857 115.0 61.3 -62.6 -36.0 38.0 55.9 33.0 13 13 A E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 109.4 38.3 -55.3 -54.5 35.0 58.0 32.0 14 14 A V H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.895 113.1 58.5 -65.7 -40.7 37.1 60.9 30.9 15 15 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.949 111.5 40.0 -53.7 -52.3 39.7 58.6 29.4 16 16 A R H X S+ 0 0 128 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.893 113.7 53.5 -66.0 -41.7 37.2 56.9 27.1 17 17 A T H X S+ 0 0 52 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.936 114.5 41.7 -59.5 -47.8 35.4 60.2 26.2 18 18 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.923 114.5 50.9 -67.3 -43.1 38.7 61.8 25.2 19 19 A A H X S+ 0 0 11 -4,-2.5 4,-2.0 -5,-0.3 5,-0.2 0.944 115.2 42.9 -59.7 -46.8 40.0 58.7 23.4 20 20 A K H X S+ 0 0 112 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.925 113.1 51.9 -65.8 -44.7 36.8 58.4 21.4 21 21 A A H X S+ 0 0 7 -4,-2.6 4,-2.3 -5,-0.3 6,-0.2 0.919 110.9 47.8 -58.9 -45.3 36.5 62.1 20.6 22 22 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-1.0 0.915 117.2 41.0 -64.4 -43.1 40.1 62.3 19.3 23 23 A V H ><5S+ 0 0 59 -4,-2.0 3,-1.7 -5,-0.2 -2,-0.2 0.924 114.5 51.4 -72.1 -43.1 39.8 59.2 17.1 24 24 A E H 3<5S+ 0 0 144 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.928 111.8 48.0 -57.2 -46.0 36.2 60.1 15.9 25 25 A E T 3<5S- 0 0 79 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.226 113.8-118.6 -81.8 14.8 37.4 63.6 14.9 26 26 A R T < 5S+ 0 0 121 -3,-1.7 77,-3.7 2,-0.2 -3,-0.2 0.810 80.4 123.8 51.4 35.9 40.4 62.2 13.1 27 27 A L S > -A 2 0A 9 -33,-0.3 4,-2.0 -58,-0.3 3,-0.5 -0.915 28.9-111.5-135.3 162.9 50.8 64.2 14.0 61 61 A T T 34 S+ 0 0 66 -60,-2.3 -59,-0.1 -2,-0.3 -1,-0.1 0.784 116.9 58.3 -63.8 -26.1 52.2 67.7 14.5 62 62 A H T 34 S+ 0 0 121 -61,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.834 111.7 39.1 -73.3 -31.9 49.6 69.0 12.1 63 63 A A T X> S+ 0 0 0 -3,-0.5 4,-2.6 1,-0.1 3,-0.8 0.743 95.4 86.2 -87.7 -24.9 46.8 67.7 14.2 64 64 A F H 3X S+ 0 0 38 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.835 84.3 53.4 -44.9 -49.6 48.4 68.5 17.5 65 65 A P H 3> S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.914 115.2 41.7 -55.7 -42.0 47.1 72.2 17.7 66 66 A K H <> S+ 0 0 94 -3,-0.8 4,-2.3 -4,-0.3 -2,-0.2 0.846 111.9 56.4 -72.7 -34.7 43.5 70.9 17.2 67 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.933 105.2 51.0 -62.8 -46.0 44.1 68.0 19.5 68 68 A K H X S+ 0 0 77 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.920 109.7 50.9 -57.4 -45.3 45.1 70.4 22.3 69 69 A E H X S+ 0 0 143 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.932 113.0 44.2 -58.3 -48.9 42.0 72.5 21.8 70 70 A R H X S+ 0 0 79 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.898 114.0 51.0 -65.2 -40.0 39.7 69.5 22.0 71 71 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.922 108.2 50.2 -64.9 -44.5 41.5 68.0 25.0 72 72 A K H < S+ 0 0 118 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.871 112.6 49.7 -61.3 -34.6 41.3 71.2 27.0 73 73 A A H < S+ 0 0 72 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.922 119.2 34.8 -69.2 -47.0 37.6 71.3 26.3 74 74 A L H < S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.856 99.6 89.3 -77.3 -37.7 36.9 67.7 27.2 75 75 A H S < S- 0 0 11 -4,-3.4 -66,-0.0 -5,-0.2 -60,-0.0 -0.411 71.8-142.9 -65.9 132.3 39.4 67.5 30.1 76 76 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.732 76.6 77.3 -68.3 -23.8 37.9 68.6 33.5 77 77 A Y S S- 0 0 116 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.670 78.6-130.4 -95.5 145.7 41.0 70.3 34.7 78 78 A T S S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.894 100.9 32.1 -57.0 -49.9 42.3 73.7 33.6 79 79 A V S S- 0 0 130 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 -0.669 82.8-174.2-113.6 76.5 45.9 72.8 32.9 80 80 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 -71,-0.1 -0.338 32.6-104.6 -70.3 149.3 45.8 69.2 31.6 81 81 A E + 0 0 77 -73,-0.4 -73,-0.5 -2,-0.0 2,-0.3 -0.637 49.1 161.3 -75.4 122.6 49.0 67.3 30.9 82 82 A I E +B 7 0A 29 -2,-0.5 2,-0.4 -75,-0.2 -75,-0.2 -0.839 6.9 163.1-143.4 99.9 49.5 67.1 27.1 83 83 A V E -B 6 0A 60 -77,-2.1 -77,-3.2 -2,-0.3 2,-0.4 -0.981 23.9-147.9-125.7 133.8 53.0 66.3 26.0 84 84 A A E -B 5 0A 33 -2,-0.4 -79,-0.2 -79,-0.2 -2,-0.0 -0.850 5.8-162.2-103.8 132.2 54.1 65.1 22.6 85 85 A L E -B 4 0A 85 -81,-2.5 -81,-2.4 -2,-0.4 2,-0.1 -0.921 27.5-115.8-108.9 133.8 57.1 62.7 22.1 86 86 A P E -B 3 0A 113 0, 0.0 2,-0.8 0, 0.0 -83,-0.2 -0.439 15.0-134.4 -74.2 140.5 58.6 62.5 18.6 87 87 A I - 0 0 34 -85,-2.1 -85,-0.4 1,-0.2 3,-0.1 -0.847 18.9-173.6 -92.7 110.9 58.4 59.3 16.6 88 88 A A - 0 0 104 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.855 64.3 -31.6 -71.5 -38.5 61.9 58.8 15.1 89 89 A E + 0 0 166 2,-0.0 2,-0.3 -87,-0.0 -1,-0.2 -0.969 66.0 151.5-168.3 174.8 60.9 55.8 13.0 90 90 A G - 0 0 41 -2,-0.3 2,-0.6 -3,-0.1 3,-0.0 -0.990 57.5 -21.9 173.3-171.7 58.6 52.8 12.9 91 91 A N >> - 0 0 108 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 -0.483 57.3-146.0 -61.7 110.7 56.7 50.3 10.9 92 92 A R H 3> S+ 0 0 212 -2,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.864 97.1 48.3 -48.1 -46.2 56.3 52.2 7.6 93 93 A E H 3> S+ 0 0 161 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.829 111.8 51.0 -67.7 -30.0 52.9 50.8 6.8 94 94 A Y H <> S+ 0 0 87 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.921 110.0 48.3 -72.5 -43.7 51.7 51.6 10.4 95 95 A L H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.834 109.8 52.6 -66.0 -32.3 52.9 55.2 10.2 96 96 A D H X S+ 0 0 78 -4,-1.9 4,-3.6 -5,-0.3 5,-0.2 0.934 109.0 49.4 -67.5 -44.9 51.2 55.6 6.8 97 97 A W H X S+ 0 0 91 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.880 109.6 54.6 -58.4 -38.1 48.0 54.4 8.3 98 98 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.932 114.3 37.4 -62.6 -48.5 48.6 56.8 11.1 99 99 A R H >< S+ 0 0 89 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.936 112.5 58.7 -69.5 -45.5 48.9 59.8 8.8 100 100 A E H 3< S+ 0 0 124 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.776 112.3 40.9 -53.0 -31.0 46.2 58.5 6.5 101 101 A N T 3< S+ 0 0 42 -4,-1.5 2,-0.4 -5,-0.2 -73,-0.3 0.209 102.6 81.1-106.5 14.8 43.7 58.6 9.4 102 102 A T < 0 0 19 -3,-2.0 -75,-0.2 1,-0.1 -76,-0.1 -0.959 360.0 360.0-122.0 139.2 44.8 61.8 11.0 103 103 A G 0 0 53 -77,-3.7 -76,-0.2 -2,-0.4 -1,-0.1 0.680 360.0 360.0-121.9 360.0 43.7 65.3 9.9