==== 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 UNKNOWN FUNCTION 19-SEP-03 1O5J . COMPND 2 MOLECULE: PERIPLASMIC DIVALENT CATION TOLERANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 65.4 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 . 29 27.9 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 27.9 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 0 0 2 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 0 0 1 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 -2 A H 0 0 209 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.6 -14.3 66.4 41.4 2 -1 A H + 0 0 54 87,-0.1 91,-0.0 1,-0.1 59,-0.0 -0.514 360.0 174.2 -75.6 142.1 -12.8 65.3 38.1 3 0 A H + 0 0 23 -2,-0.2 59,-2.0 93,-0.1 60,-0.3 -0.160 27.3 138.3-140.8 44.7 -13.0 61.5 37.5 4 1 A X E -A 61 0A 20 57,-0.2 84,-0.5 58,-0.1 2,-0.3 -0.670 28.4-169.8 -94.3 145.7 -11.6 61.1 34.0 5 2 A I E -AB 60 87A 10 55,-3.3 55,-2.2 -2,-0.3 2,-0.5 -0.932 15.1-145.6-128.7 163.9 -9.3 58.5 32.8 6 3 A L E -AB 59 86A 33 80,-1.2 80,-3.1 -2,-0.3 2,-0.4 -0.994 15.1-170.2-126.4 118.0 -7.3 57.9 29.7 7 4 A V E -AB 58 85A 0 51,-2.4 51,-2.7 -2,-0.5 2,-0.4 -0.945 7.4-158.2-110.9 136.2 -6.8 54.3 28.5 8 5 A Y E +AB 57 84A 56 76,-3.1 76,-1.6 -2,-0.4 2,-0.3 -0.913 18.8 156.7-114.8 137.8 -4.3 53.5 25.6 9 6 A S E -AB 56 83A 0 47,-2.0 47,-2.5 -2,-0.4 2,-0.3 -0.949 27.8-132.7-146.8 168.3 -4.1 50.5 23.3 10 7 A T E -A 55 0A 16 72,-0.6 45,-0.2 -2,-0.3 72,-0.2 -0.955 16.2-163.7-123.5 154.7 -2.8 49.6 19.9 11 8 A F E -A 54 0A 0 43,-2.6 43,-2.6 -2,-0.3 6,-0.0 -0.891 31.2-114.5-138.6 153.4 -4.4 47.8 17.0 12 9 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.696 91.8 -3.1 -68.9 -19.6 -3.2 46.0 13.8 13 10 A N S > S- 0 0 57 41,-0.1 4,-1.9 1,-0.1 41,-0.2 -0.977 74.3 -95.7-164.6 170.8 -4.9 48.5 11.5 14 11 A E H > S+ 0 0 84 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.869 116.1 54.2 -63.7 -38.8 -7.1 51.5 11.1 15 12 A E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 109.8 45.9 -66.2 -46.4 -10.3 49.6 10.5 16 13 A K H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 111.7 52.6 -66.3 -37.9 -10.0 47.5 13.6 17 14 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.939 114.7 40.9 -62.4 -45.4 -9.1 50.5 15.8 18 15 A L H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.794 112.2 55.8 -73.5 -33.6 -12.2 52.4 14.5 19 16 A E H X S+ 0 0 60 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.912 111.8 43.1 -63.4 -48.3 -14.4 49.4 14.7 20 17 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.929 111.3 54.5 -66.5 -42.3 -13.5 48.8 18.4 21 18 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.935 110.7 46.9 -50.4 -50.0 -13.9 52.6 19.2 22 19 A R H X S+ 0 0 118 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.891 111.0 50.5 -62.6 -43.9 -17.4 52.5 17.7 23 20 A K H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.882 110.1 51.4 -64.0 -39.0 -18.4 49.3 19.6 24 21 A L H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 6,-0.7 0.872 110.2 47.9 -66.9 -36.1 -17.1 51.0 22.8 25 22 A L H ><5S+ 0 0 65 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.878 110.3 53.7 -65.7 -37.8 -19.2 54.1 22.1 26 23 A E H 3<5S+ 0 0 123 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.869 110.3 45.5 -65.4 -36.0 -22.2 51.8 21.5 27 24 A K T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.436 111.3-125.3 -87.4 -0.2 -21.7 50.1 24.8 28 25 A R T < 5S+ 0 0 108 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.811 72.9 127.2 61.3 36.1 -21.3 53.5 26.5 29 26 A L S -C 47 0A 156 3,-2.8 3,-1.2 -2,-0.4 -2,-0.0 -0.900 67.8 -22.3-144.0 118.9 8.8 38.9 18.7 45 42 A K T 3 S- 0 0 188 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.733 128.9 -44.8 48.9 38.9 10.0 35.3 18.7 46 43 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.477 121.2 91.7 93.9 2.8 13.7 36.2 19.3 47 44 A E E < S- C 0 44A 138 -3,-1.2 -3,-2.8 -5,-0.0 2,-0.6 -0.942 76.7-117.2-125.3 151.9 13.9 39.1 16.8 48 45 A I E - C 0 43A 108 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.782 41.5-166.1 -82.4 123.4 13.3 42.8 16.9 49 46 A V E - C 0 42A 36 -7,-2.9 -7,-1.3 -2,-0.6 2,-0.4 -0.792 17.7-144.6-111.5 148.9 10.4 43.5 14.6 50 47 A Q E + C 0 41A 155 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.939 27.7 177.8-105.9 140.5 9.1 46.7 13.1 51 48 A D E - C 0 40A 55 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.5 -0.881 28.8-131.3-138.4 168.1 5.3 46.9 12.7 52 49 A K E + C 0 39A 118 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.997 41.3 155.8-126.9 119.4 2.7 49.4 11.5 53 50 A E E - C 0 38A 10 -15,-2.7 -15,-2.7 -2,-0.5 2,-0.4 -0.758 40.9-116.3-134.5 177.7 -0.2 49.8 13.9 54 51 A W E -AC 11 37A 47 -43,-2.6 -43,-2.6 -17,-0.2 2,-0.2 -0.997 26.7-155.2-118.8 129.5 -3.0 52.2 15.0 55 52 A A E -AC 10 36A 0 -19,-3.0 -19,-1.9 -2,-0.4 2,-0.3 -0.664 9.7-166.3 -95.1 158.6 -2.9 53.6 18.5 56 53 A A E -AC 9 35A 0 -47,-2.5 -47,-2.0 -2,-0.2 2,-0.5 -0.993 14.6-155.5-144.8 136.0 -6.0 54.9 20.3 57 54 A I E -AC 8 34A 34 -23,-2.7 -23,-2.5 -2,-0.3 2,-0.5 -0.968 15.8-158.0-104.1 132.9 -6.7 56.9 23.4 58 55 A F E -AC 7 33A 0 -51,-2.7 -51,-2.4 -2,-0.5 2,-0.5 -0.937 3.9-152.1-113.0 125.2 -10.1 56.2 25.0 59 56 A K E +AC 6 32A 34 -27,-2.5 -28,-2.7 -2,-0.5 -27,-1.1 -0.906 36.6 125.5-105.8 128.2 -11.5 58.9 27.3 60 57 A T E -A 5 0A 0 -55,-2.2 -55,-3.3 -2,-0.5 2,-0.3 -0.863 54.2 -76.7-160.2-171.3 -13.8 57.8 30.0 61 58 A T E > -A 4 0A 5 -57,-0.3 3,-1.2 -2,-0.2 4,-0.3 -0.697 37.6-114.3-102.1 159.2 -14.6 57.9 33.7 62 59 A E G > S+ 0 0 99 -59,-2.0 3,-1.2 -2,-0.3 4,-0.4 0.779 114.4 65.5 -53.7 -33.6 -13.0 55.8 36.5 63 60 A E G 3 S+ 0 0 116 -60,-0.3 4,-0.3 1,-0.3 3,-0.3 0.798 103.4 45.9 -66.8 -28.4 -16.3 54.1 37.0 64 61 A K G <> S+ 0 0 34 -3,-1.2 4,-2.7 1,-0.2 -1,-0.3 0.427 84.2 98.1 -91.4 -3.3 -16.1 52.6 33.5 65 62 A E H <> S+ 0 0 59 -3,-1.2 4,-2.4 -4,-0.3 5,-0.2 0.865 83.6 45.7 -59.8 -43.5 -12.4 51.4 33.8 66 63 A K H > S+ 0 0 167 -4,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.962 115.4 45.5 -64.2 -54.2 -13.1 47.8 34.7 67 64 A E H > S+ 0 0 86 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.889 113.1 52.9 -57.9 -41.7 -15.9 47.3 32.1 68 65 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.916 109.6 46.3 -62.0 -49.9 -13.6 49.0 29.5 69 66 A Y H X S+ 0 0 73 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.917 114.6 48.0 -55.9 -47.2 -10.6 46.7 30.2 70 67 A E H X S+ 0 0 125 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.926 114.5 45.9 -68.2 -35.7 -12.8 43.6 30.1 71 68 A E H X S+ 0 0 33 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.918 113.7 47.4 -70.6 -45.5 -14.5 44.7 26.8 72 69 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.900 110.2 55.7 -59.6 -39.6 -11.2 45.7 25.1 73 70 A R H < S+ 0 0 112 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 110.7 43.5 -57.8 -44.1 -9.9 42.4 26.3 74 71 A K H < S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 119.3 41.4 -75.2 -30.9 -12.7 40.5 24.6 75 72 A L H < S+ 0 0 31 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.616 88.1 109.9 -86.8 -15.9 -12.6 42.5 21.4 76 73 A H < - 0 0 12 -4,-1.5 -65,-0.1 -5,-0.2 -4,-0.0 -0.415 55.8-154.3 -75.9 127.5 -8.8 42.7 21.0 77 74 A P S S+ 0 0 58 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.830 73.2 87.1 -66.2 -26.3 -7.3 40.7 18.1 78 75 A Y S S- 0 0 55 1,-0.1 -2,-0.1 4,-0.1 -67,-0.0 -0.482 75.8-139.7 -78.5 144.0 -3.9 40.5 19.9 79 76 A E S S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.898 102.1 20.3 -66.8 -40.4 -3.4 37.7 22.4 80 77 A T S S- 0 0 133 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.746 88.3-172.5-127.8 84.8 -1.6 40.1 24.8 81 78 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -70,-0.1 -0.394 31.2-109.1 -77.9 153.9 -2.6 43.6 23.9 82 79 A A + 0 0 44 -72,-0.2 -72,-0.6 -2,-0.1 2,-0.3 -0.742 49.7 160.9 -75.9 115.6 -1.1 46.8 25.3 83 80 A I E +B 9 0A 32 -2,-0.7 2,-0.3 -74,-0.2 -74,-0.2 -0.941 9.1 146.9-136.7 121.0 -3.9 48.2 27.5 84 81 A F E -B 8 0A 91 -76,-1.6 -76,-3.1 -2,-0.3 2,-0.5 -0.978 37.9-124.6-153.1 161.3 -2.9 50.8 30.2 85 82 A T E -B 7 0A 45 -2,-0.3 2,-0.3 -78,-0.2 -78,-0.3 -0.918 14.5-150.4-114.2 126.6 -4.3 53.8 31.9 86 83 A L E -B 6 0A 84 -80,-3.1 -80,-1.2 -2,-0.5 2,-0.6 -0.763 26.5-113.4 -91.9 145.7 -2.7 57.3 32.2 87 84 A K E -B 5 0A 177 -2,-0.3 2,-0.4 -82,-0.1 -82,-0.1 -0.708 24.4-153.8 -79.4 122.6 -3.4 59.5 35.2 88 85 A V - 0 0 29 -2,-0.6 -84,-0.1 -84,-0.5 3,-0.1 -0.809 9.1-172.3 -94.7 130.7 -5.3 62.7 34.4 89 86 A E - 0 0 123 -2,-0.4 2,-0.3 1,-0.3 -87,-0.1 0.911 64.7 -0.2 -90.4 -52.2 -4.7 65.6 36.8 90 87 A N - 0 0 142 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.912 58.4-164.9-139.8 165.3 -7.2 68.3 35.8 91 88 A V - 0 0 30 -2,-0.3 5,-0.1 -3,-0.1 2,-0.0 -0.979 36.1 -95.8-152.8 136.0 -9.9 68.7 33.3 92 89 A L > - 0 0 110 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.338 38.7-128.4 -50.4 129.8 -11.9 71.6 31.9 93 90 A T H > S+ 0 0 93 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.886 105.0 48.1 -53.1 -53.5 -15.2 71.7 33.9 94 91 A E H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.846 113.6 50.1 -58.1 -37.1 -17.6 71.8 30.9 95 92 A Y H > S+ 0 0 66 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.904 107.3 51.5 -70.5 -44.5 -15.7 69.0 29.3 96 93 A X H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.856 109.3 52.9 -58.0 -36.8 -15.8 66.7 32.4 97 94 A N H X S+ 0 0 60 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.906 110.0 46.7 -66.4 -41.7 -19.6 67.3 32.6 98 95 A W H X S+ 0 0 113 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.885 110.1 54.5 -67.7 -41.3 -19.9 66.2 29.0 99 96 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.935 109.6 47.2 -53.3 -50.5 -17.7 63.1 29.6 100 97 A R H >X S+ 0 0 96 -4,-2.2 3,-1.0 1,-0.2 4,-0.9 0.927 112.7 47.8 -61.5 -47.8 -19.9 62.0 32.5 101 98 A E H 3< S+ 0 0 126 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.859 106.1 60.0 -59.0 -37.2 -23.1 62.5 30.5 102 99 A S H 3< S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.613 111.7 37.4 -70.8 -17.8 -21.7 60.6 27.5 103 100 A V H << 0 0 5 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.446 360.0 360.0-114.4 -4.4 -21.1 57.4 29.5 104 101 A L < 0 0 177 -4,-0.9 -2,-0.1 -3,-0.4 -3,-0.1 0.643 360.0 360.0 -56.1 360.0 -24.2 57.4 31.7