==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUL-02 1J6O . COMPND 2 MOLECULE: TATD-RELATED DEOXYRIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 0 1 0 3 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 -4 A H 0 0 227 0, 0.0 244,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -30.1 25.8 57.9 23.3 2 -3 A H - 0 0 143 1,-0.1 2,-1.4 242,-0.0 0, 0.0 -0.238 360.0-130.7 -66.6 145.2 22.9 57.7 20.8 3 -2 A H + 0 0 92 241,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.650 44.6 169.9 -91.2 76.7 19.8 55.5 21.1 4 -1 A H - 0 0 50 -2,-1.4 2,-0.3 237,-0.1 244,-0.3 -0.725 18.2-160.0 -95.9 144.0 19.9 54.0 17.6 5 0 A X E -a 33 0A 10 27,-3.1 29,-2.6 -2,-0.3 30,-0.6 -0.882 3.1-154.7-119.7 152.6 17.8 51.2 16.3 6 1 A V E -a 35 0A 1 -2,-0.3 2,-0.9 27,-0.2 197,-0.4 -0.989 9.2-146.8-126.7 130.7 18.4 48.9 13.3 7 2 A D E -a 36 0A 0 28,-1.8 30,-2.6 -2,-0.4 197,-0.2 -0.871 15.1-174.9 -97.4 108.0 15.5 47.1 11.5 8 3 A T E S+ 0 0 3 195,-2.4 2,-0.2 -2,-0.9 196,-0.2 0.391 72.0 40.4 -84.6 5.6 17.0 43.8 10.4 9 4 A H E S+ 0 0 1 194,-0.1 197,-2.6 29,-0.0 196,-0.7 -0.613 70.8 147.0-155.3 91.1 14.0 42.6 8.4 10 5 A A E -ab 38 207A 0 27,-2.4 29,-2.9 -3,-0.2 3,-0.1 -0.859 32.9-161.7-124.8 160.0 12.1 45.0 6.2 11 6 A H > + 0 0 1 196,-1.2 3,-1.9 -2,-0.3 6,-0.1 -0.502 29.5 155.3-135.5 62.7 10.2 44.8 2.9 12 7 A L T 3 + 0 0 0 1,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.674 67.8 64.4 -66.5 -17.1 10.0 48.4 1.9 13 8 A H T 3 S+ 0 0 6 26,-0.1 -1,-0.3 -3,-0.1 27,-0.0 0.462 77.2 111.6 -85.7 -3.1 9.7 47.5 -1.7 14 9 A F S X S- 0 0 30 -3,-1.9 3,-1.9 193,-0.1 4,-0.1 -0.327 84.4-108.5 -68.7 155.8 6.3 45.9 -1.2 15 10 A H G > S+ 0 0 130 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.692 110.8 76.6 -59.3 -21.2 3.3 47.6 -2.7 16 11 A Q G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.669 98.6 47.1 -65.4 -11.7 2.0 48.7 0.7 17 12 A F G X> S+ 0 0 0 -3,-1.9 4,-1.6 -6,-0.1 3,-0.5 0.264 78.9 109.5-110.2 9.4 4.7 51.4 0.6 18 13 A D T <4 S+ 0 0 92 -3,-2.0 4,-0.2 1,-0.2 -1,-0.1 0.827 79.1 45.5 -56.5 -35.0 4.0 52.6 -3.0 19 14 A D T 34 S+ 0 0 166 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.741 130.3 14.7 -85.4 -18.4 2.6 55.9 -2.0 20 15 A D T <> S+ 0 0 54 -3,-0.5 4,-2.5 -4,-0.1 5,-0.2 0.201 76.6 121.4-143.2 22.4 5.1 57.0 0.6 21 16 A R H X S+ 0 0 43 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.877 80.4 53.9 -53.4 -45.5 8.3 54.9 0.5 22 17 A N H > S+ 0 0 134 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.930 111.1 45.2 -58.2 -45.2 10.4 58.0 -0.2 23 18 A A H > S+ 0 0 55 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.887 112.5 51.1 -65.5 -40.2 9.1 59.8 2.9 24 19 A V H < S+ 0 0 6 -4,-2.5 3,-0.3 2,-0.2 -2,-0.2 0.943 115.8 41.5 -63.8 -45.5 9.5 56.7 5.1 25 20 A I H >< S+ 0 0 19 -4,-2.7 3,-1.9 1,-0.2 4,-0.3 0.930 111.5 53.6 -71.0 -44.7 13.1 56.2 4.0 26 21 A S H 3< S+ 0 0 87 -4,-2.9 4,-0.3 -5,-0.3 3,-0.3 0.729 105.8 56.6 -65.7 -15.5 14.0 59.9 4.2 27 22 A S T 3X S+ 0 0 20 -4,-1.1 4,-1.7 -3,-0.3 -1,-0.3 0.396 74.7 101.0 -97.1 8.9 12.8 60.0 7.7 28 23 A F T <4>S+ 0 0 4 -3,-1.9 5,-2.6 1,-0.2 3,-0.3 0.935 82.2 49.3 -55.4 -47.6 15.0 57.2 9.0 29 24 A E T >45S+ 0 0 134 -4,-0.3 3,-2.3 -3,-0.3 -1,-0.2 0.954 109.4 50.4 -58.1 -51.3 17.4 59.6 10.6 30 25 A E T 345S+ 0 0 148 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.819 112.6 49.6 -58.0 -28.3 14.8 61.6 12.4 31 26 A N T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.287 115.8-113.6 -95.8 12.7 13.4 58.4 13.7 32 27 A N T < 5 + 0 0 83 -3,-2.3 -27,-3.1 1,-0.2 2,-0.8 0.760 65.4 146.4 63.9 28.7 16.7 57.0 15.0 33 28 A I E < -a 5 0A 0 -5,-2.6 -1,-0.2 -29,-0.2 -27,-0.2 -0.874 29.3-170.1 -96.6 110.1 16.8 54.2 12.5 34 29 A E E - 0 0 37 -29,-2.6 2,-0.3 -2,-0.8 -28,-0.2 0.886 63.4 -33.5 -67.3 -44.0 20.6 53.7 11.7 35 30 A F E -a 6 0A 3 -30,-0.6 -28,-1.8 -7,-0.1 2,-0.3 -0.965 55.3-138.7-167.5 166.3 20.0 51.3 8.8 36 31 A V E -ac 7 59A 0 22,-2.6 24,-2.4 -2,-0.3 2,-0.7 -0.971 13.5-133.6-136.1 154.2 17.7 48.6 7.7 37 32 A V E - c 0 60A 0 -30,-2.6 -27,-2.4 -2,-0.3 2,-0.6 -0.950 25.7-153.3-108.9 110.9 18.2 45.2 6.1 38 33 A N E -ac 10 61A 0 22,-3.3 24,-2.1 -2,-0.7 2,-0.4 -0.797 13.3-148.9 -90.9 122.0 15.6 45.0 3.2 39 34 A V E - c 0 62A 0 -29,-2.9 56,-0.2 -2,-0.6 24,-0.2 -0.771 7.2-149.3-101.9 132.6 14.7 41.4 2.4 40 35 A G - 0 0 0 22,-2.4 6,-0.1 54,-0.7 3,-0.1 -0.487 1.9-162.0 -90.6 156.9 13.7 39.8 -0.9 41 36 A V S S- 0 0 21 1,-0.2 25,-2.7 -2,-0.1 28,-0.3 0.451 70.7 -3.1-118.5 -1.8 11.3 36.8 -1.1 42 37 A N S > S- 0 0 33 23,-0.3 4,-2.6 1,-0.1 22,-0.3 -0.934 89.7 -76.8-168.9 179.2 12.0 35.4 -4.6 43 38 A L H > S+ 0 0 10 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.939 127.2 40.7 -59.1 -49.8 14.0 36.3 -7.6 44 39 A E H > S+ 0 0 131 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 119.0 46.8 -65.2 -42.9 11.9 39.1 -9.0 45 40 A D H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 108.4 54.9 -67.5 -35.9 11.2 40.5 -5.5 46 41 A S H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.885 105.1 54.3 -65.6 -35.9 14.9 40.3 -4.6 47 42 A K H X S+ 0 0 94 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.913 109.2 47.8 -64.0 -40.7 15.8 42.4 -7.7 48 43 A K H X S+ 0 0 111 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.886 111.1 51.4 -66.3 -38.7 13.3 45.1 -6.5 49 44 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.936 111.3 47.6 -63.6 -46.8 14.8 45.0 -3.0 50 45 A L H X S+ 0 0 9 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.932 110.5 51.2 -61.6 -43.7 18.3 45.4 -4.4 51 46 A D H < S+ 0 0 73 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.901 112.0 47.2 -61.1 -38.5 17.3 48.3 -6.7 52 47 A L H >< S+ 0 0 23 -4,-2.1 3,-2.0 1,-0.2 4,-0.3 0.914 107.1 55.8 -70.6 -40.5 15.7 50.0 -3.7 53 48 A S H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 6,-0.4 0.847 98.6 63.7 -60.1 -32.0 18.7 49.5 -1.4 54 49 A K T 3< S+ 0 0 114 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.645 95.2 61.3 -69.1 -8.7 20.8 51.2 -4.0 55 50 A T T < S+ 0 0 100 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.2 0.503 104.3 46.3 -94.7 -4.5 18.9 54.4 -3.5 56 51 A S X - 0 0 17 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.1 -0.991 63.8-144.4-143.3 136.9 19.7 55.0 0.2 57 52 A D T 3 S+ 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.669 103.9 56.9 -68.4 -16.5 22.8 54.8 2.2 58 53 A R T 3 S+ 0 0 71 -23,-0.1 -22,-2.6 -33,-0.0 2,-0.5 0.388 92.0 80.3 -96.7 4.3 20.8 53.4 5.1 59 54 A I E < +c 36 0A 0 -3,-1.4 2,-0.3 -6,-0.4 -3,-0.2 -0.947 52.2 178.5-117.6 128.4 19.3 50.4 3.3 60 55 A F E -c 37 0A 42 -24,-2.4 -22,-3.3 -2,-0.5 2,-0.3 -0.787 23.1-123.8-116.3 166.6 21.2 47.1 2.7 61 56 A C E -cd 38 90A 0 28,-3.3 30,-3.0 -2,-0.3 31,-0.9 -0.844 17.6-166.4-123.9 150.8 19.9 44.1 1.0 62 57 A S E -cd 39 92A 0 -24,-2.1 -22,-2.4 -2,-0.3 2,-0.4 -0.997 19.0-160.1-126.7 132.6 19.2 40.3 1.5 63 58 A V E + d 0 93A 0 29,-1.6 31,-2.2 -2,-0.4 2,-0.3 -0.925 31.4 104.9-118.7 142.2 18.4 38.2 -1.5 64 59 A G - 0 0 0 -2,-0.4 2,-0.5 -22,-0.3 -18,-0.2 -0.989 60.2 -86.1 175.1-175.2 16.7 34.8 -1.5 65 60 A V - 0 0 4 -2,-0.3 32,-0.4 48,-0.1 -23,-0.3 -0.981 36.1-133.9-127.3 120.0 13.7 32.7 -2.1 66 61 A H > - 0 0 17 -25,-2.7 3,-0.9 -2,-0.5 4,-0.2 -0.245 26.7-112.0 -66.1 150.1 11.1 32.2 0.6 67 62 A P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.856 116.8 62.5 -57.9 -30.3 9.9 28.7 1.3 68 63 A H G 3 S+ 0 0 41 1,-0.3 3,-0.5 2,-0.1 4,-0.1 0.909 106.9 45.4 -60.4 -36.4 6.4 29.6 -0.0 69 64 A D G X S+ 0 0 39 -3,-0.9 3,-1.4 -28,-0.3 4,-0.4 0.316 83.1 105.8 -88.2 8.8 8.1 30.3 -3.4 70 65 A A G X S+ 0 0 1 -3,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.816 75.2 53.3 -58.8 -36.9 10.2 27.0 -3.3 71 66 A K G 3 S+ 0 0 105 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.586 106.3 59.1 -75.0 -9.1 8.2 25.1 -5.9 72 67 A E G < S+ 0 0 117 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.459 73.4 123.2 -98.0 -5.4 8.7 28.1 -8.3 73 68 A V < - 0 0 30 -3,-0.9 2,-0.1 -4,-0.4 -3,-0.0 -0.333 58.3-128.6 -65.5 137.7 12.5 28.4 -8.5 74 69 A P > - 0 0 67 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.361 31.4-103.3 -74.7 161.7 14.1 28.2 -12.0 75 70 A E T 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.802 121.7 45.2 -58.5 -31.4 16.9 25.7 -12.4 76 71 A D T 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.085 74.6 122.0-101.7 25.3 19.5 28.4 -12.2 77 72 A F H <> S+ 0 0 2 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.843 72.6 51.9 -57.3 -35.5 18.1 30.3 -9.2 78 73 A I H > S+ 0 0 39 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.893 109.4 50.1 -69.0 -37.9 21.2 29.9 -7.1 79 74 A E H > S+ 0 0 138 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.875 109.7 52.1 -65.6 -37.5 23.4 31.4 -9.9 80 75 A H H X S+ 0 0 79 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.893 110.7 46.1 -66.5 -39.2 20.9 34.2 -10.2 81 76 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.905 110.7 54.2 -69.7 -38.5 21.1 35.0 -6.4 82 77 A E H < S+ 0 0 44 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.878 106.1 52.7 -62.0 -36.0 24.9 34.7 -6.6 83 78 A K H >< S+ 0 0 155 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.874 109.1 49.1 -67.1 -38.4 24.9 37.3 -9.4 84 79 A F H >< S+ 0 0 14 -4,-1.5 3,-2.3 1,-0.2 6,-0.2 0.937 103.8 61.1 -64.9 -45.2 22.8 39.7 -7.3 85 80 A A T 3< S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.528 82.1 79.8 -60.8 -5.9 25.2 39.2 -4.4 86 81 A K T < S+ 0 0 175 -3,-1.1 -1,-0.3 -4,-0.2 2,-0.2 0.848 76.6 90.6 -70.7 -28.3 28.1 40.6 -6.5 87 82 A D S X S- 0 0 29 -3,-2.3 3,-1.9 -4,-0.4 -3,-0.0 -0.448 81.9-136.3 -67.5 132.0 26.6 44.0 -5.5 88 83 A E T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.707 100.1 70.6 -62.9 -19.2 28.1 45.3 -2.3 89 84 A K T 3 S+ 0 0 32 -29,-0.1 -28,-3.3 2,-0.0 2,-0.7 0.681 78.2 92.1 -71.5 -17.5 24.7 46.4 -1.0 90 85 A V E < +d 61 0A 9 -3,-1.9 -28,-0.2 -6,-0.2 3,-0.1 -0.710 44.8 163.3 -82.4 117.3 23.8 42.6 -0.6 91 86 A V E + 0 0 12 -30,-3.0 2,-0.3 -2,-0.7 -29,-0.2 0.360 57.6 17.2-115.9 3.8 24.7 41.7 3.0 92 87 A A E -d 62 0A 0 -31,-0.9 -29,-1.6 34,-0.2 2,-0.5 -0.984 65.6-116.7-166.7 167.0 22.9 38.4 3.5 93 88 A I E +de 63 128A 0 34,-2.1 36,-2.5 -2,-0.3 -29,-0.2 -0.979 59.5 56.1-115.9 124.6 21.1 35.5 1.8 94 89 A G E + 0 0 0 -31,-2.2 -54,-0.7 -2,-0.5 2,-0.1 -0.747 31.4 161.0 150.4 172.9 17.4 35.2 2.7 95 90 A E E S+ 0 0 6 34,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.259 77.5 135.8 -66.2 132.9 14.5 35.1 3.2 96 91 A T E + e 0 130A 1 33,-1.4 35,-2.7 -3,-0.2 2,-0.3 -0.986 18.8 81.7-147.9 151.2 15.0 31.4 3.2 97 92 A G E - 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