==== 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 01-DEC-03 1VHF . COMPND 2 MOLECULE: PERIPLASMIC DIVALENT CATION TOLERANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR STRUCTURAL GENOMIX . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 68.3 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 28.7 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 . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 28.7 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 1 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 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 0 A S 0 0 72 0, 0.0 59,-1.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-177.5 5.7 11.3 -14.7 2 1 A L E -A 59 0A 14 57,-0.2 84,-0.9 58,-0.1 2,-0.3 -0.498 360.0-177.2 -76.3 134.8 5.2 10.2 -11.1 3 2 A I E -AB 58 85A 5 55,-2.6 55,-2.1 -2,-0.2 2,-0.5 -0.923 17.6-145.1-129.4 148.9 6.5 6.8 -10.1 4 3 A L E -AB 57 84A 34 80,-2.3 80,-3.3 -2,-0.3 2,-0.5 -0.989 11.3-163.3-112.1 124.8 6.3 4.9 -6.9 5 4 A V E -AB 56 83A 0 51,-2.6 51,-2.8 -2,-0.5 2,-0.4 -0.932 10.9-159.2-111.1 124.6 9.3 2.7 -5.9 6 5 A Y E +AB 55 82A 53 76,-2.6 76,-1.5 -2,-0.5 2,-0.3 -0.810 19.5 155.7-104.9 141.4 8.5 0.2 -3.1 7 6 A S E -AB 54 81A 0 47,-1.9 47,-2.4 -2,-0.4 2,-0.3 -0.969 29.0-130.7-152.6 167.9 11.0 -1.5 -0.8 8 7 A T E -A 53 0A 16 72,-0.5 45,-0.2 -2,-0.3 72,-0.2 -0.898 18.0-165.2-125.9 153.3 11.0 -3.2 2.6 9 8 A F E -A 52 0A 0 43,-2.6 43,-2.4 -2,-0.3 65,-0.0 -0.930 31.2-115.2-136.4 156.3 13.4 -2.7 5.6 10 9 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.708 91.5 0.8 -69.5 -22.3 14.2 -4.5 8.8 11 10 A N S > S- 0 0 68 41,-0.1 4,-1.7 1,-0.1 41,-0.2 -0.956 73.5-100.2-157.3 172.3 13.0 -1.8 11.1 12 11 A E H > S+ 0 0 75 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.915 116.0 56.2 -67.4 -41.3 11.4 1.7 11.3 13 12 A E H > S+ 0 0 136 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 108.2 47.2 -61.8 -40.4 14.7 3.4 12.0 14 13 A K H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.903 112.1 49.8 -69.8 -38.9 16.3 2.1 8.8 15 14 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.928 115.1 43.4 -63.1 -47.3 13.3 3.0 6.7 16 15 A L H X S+ 0 0 67 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.882 113.3 51.2 -66.9 -36.9 13.2 6.5 8.0 17 16 A E H X S+ 0 0 82 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.906 112.5 46.2 -67.7 -41.4 17.0 7.0 7.8 18 17 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.931 112.3 50.6 -67.5 -41.4 17.1 5.8 4.1 19 18 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.925 111.1 49.1 -60.4 -45.4 14.1 8.0 3.2 20 19 A R H X S+ 0 0 167 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 111.0 50.1 -59.6 -41.8 15.8 11.0 4.9 21 20 A K H X S+ 0 0 68 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.889 109.9 50.2 -62.7 -40.1 19.1 10.3 2.9 22 21 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 6,-0.7 0.883 111.7 48.2 -66.8 -35.8 17.2 10.0 -0.4 23 22 A L H ><5S+ 0 0 63 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.903 108.0 55.0 -68.9 -36.2 15.5 13.4 0.4 24 23 A E H 3<5S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.875 110.5 46.3 -62.3 -37.3 18.9 14.9 1.3 25 24 A K T 3<5S- 0 0 108 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.502 111.1-125.8 -82.8 -4.0 20.2 13.8 -2.1 26 25 A R T < 5S+ 0 0 174 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.791 72.8 128.6 59.0 38.3 17.0 15.2 -3.8 27 26 A L S -C 45 0A 146 3,-3.0 3,-1.4 -2,-0.3 -2,-0.0 -0.918 67.0 -18.6-149.9 119.5 14.3 -18.9 4.0 43 42 A K T 3 S- 0 0 176 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.899 129.2 -48.5 51.3 41.3 16.8 -21.7 4.2 44 43 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.560 121.5 93.6 81.8 5.8 14.1 -24.3 3.4 45 44 A E E < S- C 0 42A 142 -3,-1.4 -3,-3.0 -5,-0.0 2,-0.5 -0.956 75.8-116.8-129.2 152.0 11.6 -23.0 6.0 46 45 A I E - C 0 41A 112 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.719 39.5-167.1 -85.0 129.4 8.7 -20.6 5.9 47 46 A V E - C 0 40A 37 -7,-2.9 -7,-1.5 -2,-0.5 2,-0.4 -0.878 17.9-145.2-119.1 154.0 9.4 -17.7 8.1 48 47 A Q E + C 0 39A 171 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.977 27.9 176.6-113.8 136.0 7.3 -14.9 9.5 49 48 A D E - C 0 38A 53 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.4 -0.759 29.1-130.8-138.9 164.7 9.0 -11.5 10.0 50 49 A K E + C 0 37A 114 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.994 41.0 152.8-120.9 125.0 8.2 -8.0 11.0 51 50 A E E - C 0 36A 14 -15,-2.3 -15,-2.8 -2,-0.4 2,-0.4 -0.805 41.5-113.0-141.9 176.2 9.4 -5.2 8.7 52 51 A W E -AC 9 35A 46 -43,-2.4 -43,-2.6 -17,-0.2 2,-0.3 -0.999 26.2-156.5-117.8 131.6 8.7 -1.7 7.5 53 52 A A E -AC 8 34A 0 -19,-3.0 -19,-2.5 -2,-0.4 2,-0.3 -0.730 10.8-169.1 -98.6 157.2 7.6 -1.0 3.9 54 53 A A E -AC 7 33A 0 -47,-2.4 -47,-1.9 -2,-0.3 2,-0.5 -0.997 17.6-151.4-149.0 147.4 8.1 2.3 2.2 55 54 A I E -AC 6 32A 35 -23,-2.6 -23,-2.3 -2,-0.3 2,-0.5 -0.985 15.3-158.6-114.3 128.5 6.9 3.9 -1.0 56 55 A F E -AC 5 31A 0 -51,-2.8 -51,-2.6 -2,-0.5 2,-0.5 -0.941 7.9-150.3-110.8 120.2 9.3 6.5 -2.4 57 56 A K E +AC 4 30A 19 -27,-2.6 -28,-3.0 -2,-0.5 -27,-1.0 -0.823 35.8 129.7 -98.3 127.8 7.7 9.1 -4.8 58 57 A T E -A 3 0A 1 -55,-2.1 -55,-2.6 -2,-0.5 2,-0.2 -0.851 53.7 -78.2-154.5-171.4 9.8 10.5 -7.6 59 58 A T E >> -A 2 0A 17 -2,-0.3 3,-1.2 -32,-0.2 4,-0.5 -0.647 38.0-113.3 -97.4 159.6 9.9 11.2 -11.3 60 59 A E G >4 S+ 0 0 110 -59,-1.9 3,-1.3 1,-0.2 4,-0.4 0.875 115.6 63.2 -55.3 -35.4 10.6 8.7 -14.0 61 60 A E G 34 S+ 0 0 86 1,-0.3 4,-0.3 -60,-0.1 -1,-0.2 0.788 104.5 46.2 -61.3 -27.9 13.9 10.6 -14.8 62 61 A K G <> S+ 0 0 54 -3,-1.2 4,-2.6 1,-0.2 -1,-0.3 0.460 84.6 97.6 -93.9 0.6 15.2 9.8 -11.3 63 62 A E H S+ 0 0 66 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.2 0.946 115.7 45.6 -60.0 -49.0 17.7 4.8 -12.3 65 64 A E H > S+ 0 0 86 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.846 113.0 50.6 -62.1 -40.1 19.6 6.9 -9.8 66 65 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.919 109.2 50.7 -65.8 -45.8 17.1 6.1 -7.1 67 66 A Y H X S+ 0 0 73 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.930 112.4 48.1 -54.8 -43.5 17.5 2.3 -7.7 68 67 A E H X S+ 0 0 111 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.960 116.0 41.6 -64.6 -45.9 21.2 2.7 -7.5 69 68 A E H X S+ 0 0 43 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.898 114.7 50.5 -67.8 -47.1 21.3 4.7 -4.3 70 69 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.2 3,-0.4 0.940 110.5 49.8 -60.3 -39.7 18.6 2.6 -2.6 71 70 A R H >< S+ 0 0 131 -4,-2.5 3,-0.6 -5,-0.3 -2,-0.2 0.931 112.7 49.0 -63.0 -40.5 20.4 -0.7 -3.5 72 71 A K H 3< S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.714 114.3 43.1 -72.7 -23.6 23.6 0.9 -2.0 73 72 A L H 3< S+ 0 0 43 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.554 90.5 114.2 -94.4 -5.9 22.0 2.1 1.2 74 73 A H << - 0 0 17 -4,-1.0 -65,-0.1 -3,-0.6 -3,-0.0 -0.394 58.6-150.8 -76.7 139.6 20.0 -1.1 1.8 75 74 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.727 79.7 80.4 -72.0 -24.9 20.8 -3.4 4.7 76 75 A Y S S- 0 0 65 1,-0.1 -2,-0.1 4,-0.1 -3,-0.0 -0.677 74.7-142.1 -85.1 141.6 19.5 -6.4 2.7 77 76 A E S S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.927 100.0 20.9 -68.4 -36.9 21.7 -8.1 0.1 78 77 A T S S- 0 0 114 2,-0.0 -1,-0.3 0, 0.0 3,-0.0 -0.692 90.2-173.1-132.9 78.0 18.9 -8.7 -2.4 79 78 A P - 0 0 18 0, 0.0 2,-0.6 0, 0.0 -70,-0.1 -0.297 32.9-105.2 -75.2 157.0 16.2 -6.2 -1.4 80 79 A A + 0 0 40 -72,-0.2 -72,-0.5 2,-0.0 2,-0.4 -0.707 50.8 163.3 -75.9 117.5 12.7 -5.9 -2.8 81 80 A I E +B 7 0A 33 -2,-0.6 2,-0.3 -74,-0.2 -74,-0.2 -0.958 8.0 148.0-136.0 117.1 12.9 -2.9 -5.1 82 81 A F E -B 6 0A 98 -76,-1.5 -76,-2.6 -2,-0.4 2,-0.4 -0.990 36.1-124.5-149.0 159.1 10.1 -2.4 -7.7 83 82 A T E -B 5 0A 38 -2,-0.3 2,-0.5 -78,-0.2 -78,-0.2 -0.915 8.8-162.9-114.0 132.5 8.2 0.3 -9.4 84 83 A L E -B 4 0A 69 -80,-3.3 -80,-2.3 -2,-0.4 2,-0.3 -0.897 19.0-145.1-107.0 118.9 4.5 1.0 -9.6 85 84 A K E -B 3 0A 126 -2,-0.5 2,-0.3 -82,-0.2 -82,-0.2 -0.703 13.5-136.4 -79.6 153.6 3.6 3.4 -12.5 86 85 A V - 0 0 43 -84,-0.9 3,-0.1 -2,-0.3 -84,-0.0 -0.789 5.7-151.9-108.9 152.2 0.6 5.8 -11.8 87 86 A E S S+ 0 0 148 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.642 75.7 4.3 -95.6 -28.7 -2.1 6.6 -14.3 88 87 A N - 0 0 150 -86,-0.0 -1,-0.3 2,-0.0 2,-0.3 -0.973 59.2-169.3-151.4 160.2 -3.1 10.1 -13.2 89 88 A V - 0 0 49 -2,-0.3 5,-0.1 -3,-0.1 2,-0.0 -0.982 38.5 -96.5-154.8 141.4 -2.0 12.7 -10.7 90 89 A L > - 0 0 121 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.348 38.7-129.6 -59.1 129.6 -3.4 15.9 -9.4 91 90 A T H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 104.2 50.0 -51.8 -49.4 -1.7 18.6 -11.5 92 91 A E H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 112.9 47.6 -62.3 -34.2 -0.7 20.9 -8.6 93 92 A Y H > S+ 0 0 78 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.907 108.9 53.4 -73.9 -37.9 0.8 17.9 -6.8 94 93 A X H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.888 109.1 50.4 -62.9 -37.3 2.7 16.7 -9.9 95 94 A N H X S+ 0 0 72 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.900 110.4 48.6 -67.9 -39.9 4.2 20.2 -10.2 96 95 A W H X S+ 0 0 122 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.935 112.8 49.1 -63.0 -42.5 5.3 20.1 -6.6 97 96 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.941 113.0 46.1 -61.0 -49.7 6.8 16.7 -7.1 98 97 A R H < S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 112.5 50.2 -61.5 -44.5 8.7 17.7 -10.3 99 98 A E H < S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.906 106.5 57.4 -65.5 -32.3 10.0 21.0 -8.7 100 99 A S H < 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 360.0 360.0 -68.1 -41.8 11.2 19.1 -5.7 101 100 A V < 0 0 41 -4,-1.7 -74,-0.2 -74,-0.1 -75,-0.1 0.020 360.0 360.0 -85.7 360.0 13.6 16.7 -7.4