==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-FEB-10 3LX0 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,A.HEROUX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 23.5 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 A 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.2 -4.9 7.1 -25.1 2 2 A T - 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.929 360.0-146.5-129.6 156.6 -2.4 4.6 -23.6 3 3 A S - 0 0 121 -2,-0.3 2,-0.2 3,-0.0 3,-0.0 -0.693 9.7-124.2-112.9 173.8 -1.7 4.1 -19.9 4 4 A T - 0 0 104 -2,-0.2 2,-0.1 1,-0.1 0, 0.0 -0.677 48.4 -76.3 -95.6 170.9 1.3 3.2 -17.8 5 5 A K - 0 0 170 -2,-0.2 2,-0.2 1,-0.1 3,-0.1 -0.392 45.4-114.0 -69.7 139.9 1.4 0.1 -15.3 6 6 A K - 0 0 132 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.554 41.8 -95.9 -75.4 135.7 -0.4 0.3 -12.0 7 7 A L - 0 0 24 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.073 51.9-164.0 -44.9 153.0 1.9 0.2 -9.0 8 8 A H - 0 0 91 62,-0.3 62,-0.4 -3,-0.1 2,-0.4 -0.984 19.8-116.3-148.9 156.8 2.2 -3.3 -7.7 9 9 A K - 0 0 86 -2,-0.3 60,-0.2 60,-0.1 77,-0.1 -0.771 25.5-167.4 -94.3 131.3 3.3 -5.2 -4.7 10 10 A E E -A 68 0A 13 58,-2.6 58,-2.8 -2,-0.4 -2,-0.0 -0.946 23.9-116.2-117.9 136.3 6.2 -7.7 -4.9 11 11 A P E +A 67 0A 96 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.324 37.0 168.8 -73.0 155.5 7.0 -10.2 -2.2 12 12 A A E -A 66 0A 12 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.949 28.2-121.4-154.0 165.7 10.3 -10.1 -0.4 13 13 A T E -D 26 0B 97 13,-2.2 13,-3.0 -2,-0.3 2,-0.1 -0.907 29.6-107.7-119.5 136.9 11.7 -11.8 2.8 14 14 A L E +D 25 0B 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.411 37.6 166.5 -57.9 127.4 12.9 -10.1 5.9 15 15 A I E - 0 0 68 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.746 69.2 -26.9 -97.4 -56.3 16.7 -10.2 6.4 16 16 A K E -D 24 0B 102 8,-1.7 8,-3.0 44,-0.0 2,-0.3 -0.947 51.0-124.7-158.6 134.9 17.0 -7.6 9.2 17 17 A A E -D 23 0B 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.624 28.9-176.5 -73.7 136.5 15.2 -4.5 10.5 18 18 A I E - 0 0 74 4,-2.0 2,-0.2 1,-0.4 5,-0.2 0.854 51.0 -38.8-102.9 -57.4 17.7 -1.7 10.6 19 19 A D E > S-D 22 0B 57 3,-2.0 3,-0.7 33,-0.1 -1,-0.4 -0.832 78.9 -62.4-155.6-168.1 16.0 1.4 12.1 20 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 -2,-0.2 23,-0.1 0.833 133.0 24.0 -61.6 -28.6 12.7 3.2 12.0 21 21 A N T 3 S+ 0 0 10 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.387 113.7 67.4-122.2 21.4 12.9 4.0 8.3 22 22 A T E < +DE 19 35B 5 -3,-0.7 -3,-2.0 13,-0.2 -4,-2.0 -0.992 48.1 172.8-145.4 131.1 15.2 1.3 6.9 23 23 A V E -DE 17 34B 2 11,-2.1 11,-3.2 -2,-0.4 2,-0.5 -0.999 24.6-136.1-137.5 142.9 14.8 -2.4 6.5 24 24 A K E +DE 16 33B 57 -8,-3.0 -9,-2.7 -2,-0.4 -8,-1.7 -0.835 30.9 177.5-103.6 126.4 17.0 -5.0 4.7 25 25 A L E -DE 14 32B 0 7,-2.7 7,-2.6 -2,-0.5 2,-0.8 -0.952 37.1-118.3-129.9 150.8 15.1 -7.6 2.6 26 26 A M E -DE 13 31B 74 -13,-3.0 -13,-2.2 -2,-0.3 2,-0.5 -0.811 40.7-176.1 -85.6 110.2 15.8 -10.5 0.3 27 27 A Y E > - E 0 30B 27 3,-2.9 3,-1.6 -2,-0.8 -15,-0.1 -0.971 65.6 -19.7-118.5 118.8 14.4 -9.3 -2.9 28 28 A K T 3 S- 0 0 156 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.888 130.9 -50.1 46.0 40.9 14.3 -11.6 -6.0 29 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.520 122.7 91.7 85.3 8.4 17.1 -13.6 -4.3 30 30 A Q E < S-E 27 0B 138 -3,-1.6 -3,-2.9 -5,-0.0 2,-0.2 -0.990 78.0-108.3-134.7 143.6 19.5 -10.7 -3.4 31 31 A P E +E 26 0B 79 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.435 38.1 176.3 -66.0 138.4 19.8 -8.5 -0.4 32 32 A M E -E 25 0B 63 -7,-2.6 -7,-2.7 -2,-0.2 2,-0.6 -0.995 26.4-136.4-140.5 131.3 18.6 -4.9 -0.8 33 33 A T E -E 24 0B 43 -2,-0.4 49,-2.3 47,-0.3 2,-0.5 -0.826 26.3-153.4 -84.1 124.7 18.4 -2.2 1.9 34 34 A F E -Ef 23 82B 0 -11,-3.2 -11,-2.1 -2,-0.6 2,-0.5 -0.868 9.7-157.9-104.2 128.9 15.1 -0.4 1.6 35 35 A R E -Ef 22 83B 19 47,-3.4 49,-1.5 -2,-0.5 2,-0.3 -0.906 31.1-115.5 -98.2 128.9 14.5 3.2 2.7 36 36 A L E > - f 0 84B 1 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.439 30.1-120.5 -68.1 130.6 10.9 4.0 3.3 37 37 A L T 3 S+ 0 0 9 47,-2.3 49,-0.1 -2,-0.3 71,-0.1 -0.332 83.6 7.2 -66.1 144.0 9.3 6.5 0.9 38 38 A L T 3 S+ 0 0 2 69,-0.4 68,-1.7 1,-0.2 2,-0.3 0.426 107.0 93.1 74.3 12.0 7.8 9.7 2.2 39 39 A V E < -H 105 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.863 47.2-166.8-139.2 151.3 8.8 9.5 5.8 40 40 A D E -H 104 0C 59 64,-1.9 64,-2.4 -2,-0.3 3,-0.1 -0.889 10.2-164.7-137.9 128.8 11.4 10.4 8.3 41 41 A T - 0 0 9 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.632 36.6 -92.5 -97.2 158.7 11.8 9.0 11.8 42 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.302 51.6 -97.1 -63.1 150.6 13.9 10.5 14.4 43 43 A E > - 0 0 129 1,-0.1 3,-1.8 -24,-0.1 6,-0.3 -0.366 35.8-104.8 -65.8 154.7 17.4 9.2 14.6 44 50 A F T 3 S+ 0 0 142 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.813 122.2 47.9 -52.9 -31.0 18.2 6.5 17.1 45 51 A N T 3 S+ 0 0 136 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.573 100.3 80.6 -88.3 -12.9 19.9 9.0 19.4 46 52 A E S X S- 0 0 85 -3,-1.8 3,-1.9 1,-0.1 2,-0.0 -0.558 100.9 -74.2 -87.3 168.7 17.1 11.6 19.2 47 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.282 120.5 14.2 -63.3 132.6 14.0 11.5 21.3 48 54 A Y T 3> S+ 0 0 49 -4,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.317 95.4 114.6 80.7 -8.4 11.5 8.8 20.0 49 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.6 -6,-0.3 -5,-0.2 0.951 74.8 44.9 -55.6 -50.2 14.2 7.3 18.0 50 56 A P H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.928 113.3 51.9 -65.5 -33.9 14.4 4.0 19.9 51 57 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 109.4 49.5 -67.5 -38.1 10.6 3.8 19.8 52 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.925 111.6 48.7 -65.6 -46.0 10.5 4.3 16.0 53 59 A S H X S+ 0 0 21 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 112.4 48.7 -55.1 -44.8 13.1 1.6 15.5 54 60 A A H X S+ 0 0 54 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.857 108.7 53.2 -65.6 -36.6 11.3 -0.8 17.7 55 61 A F H X S+ 0 0 53 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.929 112.3 43.1 -64.4 -51.6 7.9 -0.1 16.0 56 62 A T H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.914 114.4 52.8 -60.7 -43.0 9.3 -0.9 12.5 57 63 A K H X S+ 0 0 96 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.906 109.8 45.5 -57.9 -50.3 11.1 -3.8 13.8 58 64 A K H X S+ 0 0 143 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.923 112.2 53.5 -60.6 -41.9 8.2 -5.4 15.5 59 65 A M H < S+ 0 0 33 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.896 116.7 35.6 -64.7 -43.9 6.0 -4.8 12.4 60 66 A V H >< S+ 0 0 3 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.879 116.3 52.3 -80.3 -35.1 8.3 -6.5 10.0 61 67 A E H 3< S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.863 112.7 47.3 -67.7 -32.3 9.6 -9.3 12.3 62 68 A N T 3< S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.2 0.572 89.9 109.4 -82.7 -9.6 5.9 -10.3 13.1 63 69 A A < - 0 0 21 -3,-0.5 -49,-0.1 -4,-0.4 3,-0.1 -0.452 51.0-164.9 -77.6 136.4 4.8 -10.3 9.5 64 70 A K S S+ 0 0 197 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.833 86.5 31.2 -75.1 -38.3 4.0 -13.5 7.7 65 71 A K - 0 0 111 -52,-0.1 24,-2.9 -54,-0.0 2,-0.4 -0.988 68.1-171.3-128.6 121.6 4.1 -11.7 4.3 66 72 A I E -AB 12 88A 9 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.4 -0.945 10.1-172.0-111.5 138.1 6.3 -8.7 3.5 67 73 A E E -AB 11 87A 26 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.990 14.3-148.0-132.2 146.4 5.8 -6.8 0.2 68 74 A V E -AB 10 86A 0 -58,-2.8 -58,-2.6 -2,-0.4 2,-0.5 -0.927 10.9-171.9-108.6 130.7 7.7 -4.1 -1.6 69 75 A E E - B 0 85A 14 16,-2.7 16,-2.8 -2,-0.4 -60,-0.1 -0.933 9.1-156.7-125.3 106.9 6.0 -1.5 -3.7 70 76 A F - 0 0 12 -2,-0.5 -62,-0.3 -62,-0.4 14,-0.2 -0.418 18.3-129.4 -67.9 148.6 8.1 0.8 -5.8 71 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.289 32.6 -89.4 -87.4-168.6 6.5 4.1 -6.8 72 78 A K S S+ 0 0 114 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.437 105.0 47.0 -80.3 -11.4 6.4 5.6 -10.4 73 79 A G S S- 0 0 31 1,-0.3 39,-0.1 36,-0.1 37,-0.0 0.091 105.1 -1.7-108.0-134.6 9.7 7.5 -10.0 74 80 A Q - 0 0 140 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.266 48.9-163.4 -66.5 136.3 13.2 6.9 -8.8 75 81 A R S S+ 0 0 122 1,-0.1 8,-2.3 -3,-0.1 2,-0.3 0.593 70.3 39.9 -94.3 -18.7 13.8 3.4 -7.4 76 82 A T B S-G 82 0B 77 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.977 74.0-132.3-127.5 152.9 17.0 4.0 -5.6 77 83 A D > - 0 0 28 4,-2.6 3,-2.0 -2,-0.3 -2,-0.0 -0.375 41.9 -88.5 -90.5-178.6 18.3 6.8 -3.5 78 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.603 127.0 53.0 -65.5 -14.1 21.8 8.5 -3.7 79 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.345 121.8-101.8-107.4 8.8 23.2 6.0 -1.3 80 86 A G S < S+ 0 0 58 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.566 74.9 137.8 91.6 -0.7 22.1 2.9 -3.2 81 87 A R - 0 0 66 -49,-0.1 -4,-2.6 -47,-0.1 -1,-0.3 -0.670 58.5-112.3 -82.2 144.0 19.0 2.0 -1.0 82 88 A G E -fG 34 76B 1 -49,-2.3 -47,-3.4 -2,-0.3 2,-0.5 -0.442 26.3-140.1 -65.4 147.2 15.8 0.9 -2.7 83 89 A L E +f 35 0B 24 -8,-2.3 -12,-0.5 -49,-0.2 2,-0.3 -0.964 44.0 132.6-111.9 118.7 12.9 3.5 -2.2 84 90 A A E -f 36 0B 0 -49,-1.5 -47,-2.3 -2,-0.5 2,-0.5 -0.968 60.6-104.1-158.3 162.5 9.6 1.8 -1.5 85 91 A Y E -B 69 0A 0 -16,-2.8 -16,-2.7 -2,-0.3 2,-0.4 -0.888 41.8-151.5 -87.7 130.9 6.4 1.4 0.3 86 92 A I E -B 68 0A 0 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.927 8.6-162.3-110.9 130.6 6.8 -1.6 2.6 87 93 A Y E -BC 67 92A 15 -20,-2.9 -20,-2.2 -2,-0.4 2,-0.5 -0.919 8.9-164.0-117.6 137.9 3.8 -3.7 3.6 88 94 A A E > S-BC 66 91A 6 3,-2.7 3,-1.8 -2,-0.4 -22,-0.2 -0.965 83.7 -23.5-121.7 110.4 3.6 -6.2 6.5 89 95 A D T 3 S- 0 0 75 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.897 129.4 -49.4 49.9 41.9 0.6 -8.5 6.1 90 96 A G T 3 S+ 0 0 43 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.336 115.9 114.8 85.8 -1.6 -1.1 -5.9 4.0 91 97 A K E < -C 88 0A 153 -3,-1.8 -3,-2.7 4,-0.0 2,-0.4 -0.849 68.8-123.2-103.9 126.3 -0.5 -3.0 6.4 92 98 A M E > -C 87 0A 7 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.571 12.0-156.4 -74.5 124.0 1.8 -0.2 5.1 93 99 A V H > S+ 0 0 1 -7,-3.4 4,-2.6 -2,-0.4 5,-0.3 0.919 93.8 55.7 -64.8 -43.3 4.8 0.3 7.4 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.922 111.8 42.4 -55.8 -46.3 5.2 3.9 6.1 95 101 A E H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 111.1 54.2 -66.0 -39.9 1.7 4.8 7.0 96 102 A A H X S+ 0 0 25 -4,-2.5 4,-1.8 1,-0.2 6,-0.2 0.914 107.8 51.1 -68.3 -36.0 1.7 3.0 10.4 97 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 6,-0.9 0.928 112.6 45.4 -64.6 -43.9 4.8 5.0 11.5 98 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.3 -1,-0.2 0.925 110.5 53.1 -65.7 -42.3 3.2 8.3 10.5 99 105 A R H 3<5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.0 52.2 -61.3 -32.0 -0.1 7.4 12.1 100 106 A Q T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.431 115.3-116.6 -80.4 -7.3 1.7 6.6 15.4 101 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.3 -4,-0.2 -3,-0.2 0.715 86.6 116.3 72.2 24.9 3.5 10.0 15.4 102 108 A L S - 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