==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-11 3TP5 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 21.7 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 7 A L 0 0 85 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.7 2.3 -16.0 -27.6 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.999 360.0-125.1-139.9 146.4 2.8 -19.4 -26.0 3 9 A K - 0 0 86 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.675 27.0-167.3 -87.6 145.3 4.1 -20.5 -22.6 4 10 A E E -A 62 0A 21 58,-2.7 58,-2.6 -2,-0.3 2,-0.1 -0.934 24.8 -98.1-130.1 153.2 7.0 -22.9 -22.4 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.337 43.2 159.0 -72.8 151.2 8.4 -24.9 -19.6 6 12 A A E -AB 60 21A 9 54,-1.7 54,-0.6 15,-0.1 2,-0.3 -0.964 23.7-142.5-153.2 165.7 11.3 -24.0 -17.4 7 13 A T E - B 0 20A 81 13,-1.5 13,-3.0 -2,-0.3 2,-0.2 -0.950 26.2-103.7-128.4 154.4 12.5 -24.9 -14.0 8 14 A L E - B 0 19A 54 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.496 26.3-148.6 -69.4 138.3 14.2 -22.9 -11.1 9 15 A I E - B 0 18A 49 9,-2.1 9,-0.7 -2,-0.2 8,-0.7 -0.963 15.7-136.7-104.9 123.4 18.0 -23.5 -10.7 10 16 A K E - B 0 16A 166 -2,-0.6 6,-0.2 6,-0.2 2,-0.1 -0.713 18.7-143.9 -84.5 121.5 18.9 -23.1 -7.1 11 17 A A > - 0 0 21 4,-3.7 3,-2.1 -2,-0.5 -1,-0.0 -0.283 33.2 -92.9 -78.9 171.6 22.1 -21.0 -6.8 12 18 A I T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.798 126.0 56.0 -58.4 -31.2 24.8 -21.7 -4.1 13 19 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.450 121.3-103.7 -81.1 0.9 23.1 -19.2 -1.7 14 20 A G S < S+ 0 0 26 -3,-2.1 2,-0.2 1,-0.4 -2,-0.1 0.354 88.2 104.7 92.1 -6.4 19.7 -20.9 -1.9 15 21 A N S S- 0 0 60 -5,-0.1 -4,-3.7 1,-0.0 2,-0.7 -0.543 75.7-105.1-101.1 172.6 18.0 -18.4 -4.3 16 22 A T E +B 10 0A 45 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.884 42.0 158.6-101.6 115.3 17.2 -18.6 -8.0 17 23 A E E + 0 0 119 -8,-0.7 11,-0.3 -2,-0.7 2,-0.3 0.682 69.7 25.6 -95.9 -31.8 19.5 -16.6 -10.2 18 24 A K E -B 9 0A 89 -9,-0.7 -9,-2.1 9,-0.2 2,-0.3 -0.904 65.4-138.4-133.9 159.0 18.7 -18.6 -13.3 19 25 A L E -BC 8 26A 14 7,-2.7 7,-2.4 -2,-0.3 2,-0.8 -0.882 25.8-122.0-110.5 152.4 16.0 -20.7 -15.0 20 26 A M E +BC 7 25A 79 -13,-3.0 -13,-1.5 -2,-0.3 2,-0.4 -0.861 36.3 180.0 -93.7 109.9 16.7 -23.9 -16.9 21 27 A Y E > S-BC 6 24A 19 3,-2.9 3,-1.9 -2,-0.8 -15,-0.1 -0.985 70.5 -13.1-118.1 126.0 15.2 -23.2 -20.4 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.897 132.1 -55.5 42.3 46.0 15.4 -26.0 -23.0 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.514 117.6 111.3 71.6 12.8 17.9 -27.6 -20.6 24 30 A Q E < S-C 21 0A 123 -3,-1.9 -3,-2.9 -5,-0.0 2,-0.3 -0.929 70.1-116.9-118.8 139.0 20.2 -24.5 -20.4 25 31 A P E +C 20 0A 71 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.541 43.4 170.0 -69.0 130.1 20.8 -22.1 -17.5 26 32 A M E -C 19 0A 38 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.5 -0.999 37.0-130.0-144.5 134.9 19.7 -18.6 -18.4 27 33 A V - 0 0 59 -2,-0.4 49,-2.7 47,-0.3 2,-0.4 -0.764 31.4-154.7 -76.1 130.7 19.3 -15.4 -16.5 28 34 A F E -f 76 0B 30 -2,-0.5 2,-0.5 -11,-0.3 49,-0.2 -0.925 6.5-157.2-107.6 132.3 15.8 -14.1 -17.4 29 35 A R E -f 77 0B 47 47,-3.7 49,-1.4 -2,-0.4 2,-0.2 -0.958 28.4-116.4-105.2 128.7 14.9 -10.4 -17.2 30 36 A E E > -f 78 0B 23 -2,-0.5 3,-0.9 47,-0.2 49,-0.2 -0.412 30.5-118.7 -68.8 129.5 11.2 -9.8 -16.8 31 37 A L T 3 S+ 0 0 10 47,-2.4 49,-0.1 1,-0.2 -1,-0.1 -0.352 84.9 8.1 -61.2 145.3 9.6 -7.9 -19.7 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.517 103.8 100.4 70.3 15.9 7.9 -4.5 -19.2 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.5 66,-0.3 66,-0.2 -0.913 55.5-152.7-133.8 154.5 9.0 -3.8 -15.6 34 40 A D E -H 98 0C 59 64,-2.4 64,-2.1 -2,-0.3 -3,-0.0 -0.990 23.7-168.7-117.9 114.2 11.5 -1.9 -13.6 35 41 A I - 0 0 38 -2,-0.5 62,-0.2 62,-0.2 8,-0.1 -0.894 27.6-109.3-104.5 132.7 12.0 -3.7 -10.3 36 42 A P - 0 0 17 0, 0.0 11,-0.1 0, 0.0 10,-0.1 -0.343 33.2-117.8 -64.3 143.1 13.9 -1.9 -7.5 37 43 A E > - 0 0 124 1,-0.1 3,-1.9 9,-0.1 6,-0.2 -0.229 33.5 -99.2 -74.8 164.2 17.4 -3.3 -6.8 38 50 A F T 3 S+ 0 0 148 1,-0.3 5,-0.2 5,-0.2 7,-0.1 0.852 122.5 54.1 -57.1 -37.0 18.0 -4.8 -3.3 39 51 A N T 3 S+ 0 0 141 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.448 99.5 79.2 -75.7 -6.3 19.8 -1.6 -2.1 40 52 A E S X S- 0 0 92 -3,-1.9 3,-2.2 1,-0.1 2,-0.0 -0.637 99.8 -77.2-102.0 162.5 16.8 0.6 -3.1 41 53 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.361 119.9 11.6 -59.4 139.0 13.5 1.1 -1.3 42 54 A Y T 3> S+ 0 0 38 -4,-0.1 4,-2.7 -3,-0.1 -1,-0.3 0.427 96.8 114.6 71.0 3.2 11.1 -1.9 -1.8 43 55 A G H <> S+ 0 0 2 -3,-2.2 4,-2.4 -5,-0.2 -5,-0.2 0.934 75.9 44.4 -72.5 -45.9 14.0 -3.8 -3.2 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.916 116.1 49.3 -62.1 -39.5 14.2 -6.4 -0.4 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.898 109.4 50.3 -65.7 -47.4 10.3 -6.7 -0.5 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.948 113.1 47.5 -54.6 -42.8 10.3 -7.2 -4.3 47 59 A A H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 113.3 46.7 -65.9 -44.4 12.9 -9.9 -4.0 48 60 A A H X S+ 0 0 61 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.876 112.6 49.3 -68.0 -40.8 11.1 -11.7 -1.2 49 61 A F H X S+ 0 0 63 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.911 112.8 48.0 -61.6 -43.4 7.7 -11.6 -2.9 50 62 A T H X S+ 0 0 34 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.931 111.3 50.8 -61.5 -48.8 9.3 -12.9 -6.2 51 63 A K H X S+ 0 0 74 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.934 112.5 45.4 -58.3 -47.3 11.1 -15.8 -4.2 52 64 A K H X S+ 0 0 134 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.928 113.3 50.9 -63.7 -44.0 7.9 -16.9 -2.5 53 65 A M H < S+ 0 0 26 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.927 118.1 36.2 -61.1 -47.7 5.9 -16.7 -5.7 54 66 A V H < S+ 0 0 15 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.875 118.2 48.7 -77.1 -37.4 8.3 -18.8 -7.8 55 67 A E H < S+ 0 0 78 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.851 111.0 50.2 -71.9 -32.4 9.4 -21.3 -5.1 56 68 A N S < S+ 0 0 104 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.663 93.3 99.8 -76.0 -13.7 5.9 -22.1 -3.9 57 69 A A - 0 0 17 -4,-0.5 3,-0.1 -3,-0.4 -3,-0.0 -0.372 61.0-154.4 -82.3 144.3 4.8 -22.7 -7.5 58 70 A K S S+ 0 0 173 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.823 84.4 34.4 -79.8 -31.6 4.5 -26.2 -8.9 59 71 A K - 0 0 91 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.981 63.4-166.6-133.7 121.3 5.0 -25.1 -12.5 60 72 A I E +AD 6 82A 13 -54,-0.6 -54,-1.7 -2,-0.4 2,-0.3 -0.893 15.1 179.5-102.7 137.3 7.2 -22.3 -13.9 61 73 A E E -AD 5 81A 31 20,-2.0 20,-3.1 -2,-0.4 2,-0.3 -0.979 16.0-150.7-131.2 148.0 6.6 -21.2 -17.5 62 74 A V E -AD 4 80A 0 -58,-2.6 -58,-2.7 -2,-0.3 2,-0.4 -0.902 7.2-164.4-115.6 152.2 8.3 -18.5 -19.7 63 75 A E E - D 0 79A 9 16,-1.7 16,-3.0 -2,-0.3 -60,-0.2 -0.949 8.4-151.8-139.6 106.7 6.5 -16.7 -22.6 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.489 14.7-133.8 -71.4 153.5 8.6 -14.8 -25.1 65 77 A D - 0 0 5 12,-0.5 41,-0.2 3,-0.3 -1,-0.1 -0.165 35.9 -87.0 -93.5-164.5 6.9 -11.8 -26.9 66 78 A K S S+ 0 0 152 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.512 104.3 48.4 -88.1 -11.3 7.1 -11.2 -30.6 67 79 A G S S- 0 0 32 1,-0.3 38,-0.1 38,-0.2 39,-0.1 0.161 105.3 -4.5-104.9-139.4 10.4 -9.3 -30.7 68 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.321 48.8-166.9 -61.1 134.3 13.9 -9.7 -29.3 69 81 A R S S+ 0 0 111 1,-0.2 8,-2.3 -3,-0.1 2,-0.4 0.564 73.3 39.1 -99.3 -14.3 14.3 -12.8 -27.0 70 82 A T B S-G 76 0B 76 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.999 76.9-139.6-131.8 146.2 17.6 -11.9 -25.5 71 83 A D > - 0 0 21 4,-2.7 3,-2.1 -2,-0.4 -2,-0.0 -0.260 40.7 -84.7 -95.4-175.2 18.9 -8.5 -24.4 72 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.583 128.1 53.7 -66.1 -12.2 22.3 -6.9 -24.8 73 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.254 121.0-104.8-100.8 3.7 23.5 -8.6 -21.6 74 86 A G S < S+ 0 0 55 -3,-2.1 2,-0.3 1,-0.3 -47,-0.3 0.568 73.8 143.3 83.2 10.7 22.5 -12.1 -22.8 75 87 A R - 0 0 79 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.643 54.7-117.0 -81.0 144.7 19.4 -12.2 -20.5 76 88 A G E -fG 28 70B 0 -49,-2.7 -47,-3.7 -2,-0.3 2,-0.6 -0.508 24.0-143.6 -76.8 139.9 16.2 -13.9 -21.8 77 89 A L E +f 29 0B 20 -8,-2.3 -12,-0.5 -49,-0.2 2,-0.3 -0.949 43.2 128.2-110.4 113.7 13.4 -11.4 -22.1 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.4 -0.981 62.2-100.9-151.9 168.9 10.1 -13.0 -21.2 79 91 A Y E -D 63 0A 0 -16,-3.0 -16,-1.7 -2,-0.3 2,-0.4 -0.844 43.4-146.6 -92.4 131.9 6.9 -13.0 -19.2 80 92 A I E -D 62 0A 11 -2,-0.4 7,-3.4 -18,-0.2 8,-0.6 -0.888 11.9-162.9-108.4 134.4 7.3 -15.4 -16.4 81 93 A Y E -DE 61 86A 15 -20,-3.1 -20,-2.0 -2,-0.4 2,-0.5 -0.927 10.6-165.1-120.3 139.7 4.4 -17.5 -15.0 82 94 A A E > S-DE 60 85A 6 3,-2.8 3,-1.8 -2,-0.4 -22,-0.2 -0.982 86.2 -22.4-121.8 114.3 4.1 -19.3 -11.7 83 95 A D T 3 S- 0 0 77 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.889 129.5 -50.7 41.8 44.8 1.2 -21.8 -11.7 84 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.420 115.1 114.6 86.0 -0.7 -0.4 -19.7 -14.5 85 97 A K E < -E 82 0A 125 -3,-1.8 -3,-2.8 4,-0.0 2,-0.3 -0.905 69.9-121.3-102.6 131.7 -0.1 -16.3 -12.7 86 98 A M E > -E 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.545 12.4-156.1 -78.6 124.7 2.3 -13.8 -14.4 87 99 A V H > S+ 0 0 1 -7,-3.4 4,-2.8 -2,-0.3 5,-0.3 0.903 93.8 55.9 -62.2 -41.9 5.1 -12.8 -12.0 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.953 111.8 42.5 -57.9 -48.1 5.5 -9.5 -14.0 89 101 A E H > S+ 0 0 67 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.900 112.1 54.7 -64.6 -41.3 1.9 -8.5 -13.5 90 102 A A H X S+ 0 0 8 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.907 107.9 48.1 -64.3 -45.3 1.9 -9.6 -9.9 91 103 A L H <>S+ 0 0 0 -4,-2.8 5,-3.1 2,-0.2 6,-0.7 0.912 115.0 46.3 -57.1 -45.5 4.8 -7.4 -8.9 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.0 -5,-0.3 -2,-0.2 0.945 110.1 52.8 -63.4 -44.8 3.2 -4.4 -10.7 93 105 A R H 3<5S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.6 48.7 -61.9 -29.3 -0.2 -5.1 -9.1 94 106 A Q T 3<5S- 0 0 74 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.355 116.0-114.5 -89.0 1.8 1.5 -5.1 -5.6 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.7 2,-0.2 -3,-0.2 0.844 85.0 120.2 66.8 30.0 3.4 -1.8 -6.3 96 108 A L S - 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