==== 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 31-AUG-11 3TME . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 63.6 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 . 27 20.9 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 . 1 0.8 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 . 14 10.9 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 1 3 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 . 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 75 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 168.3 2.6 -18.2 -28.0 2 8 A H - 0 0 153 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.981 360.0-135.3-127.5 135.3 3.6 -21.7 -26.8 3 9 A K E -A 63 0A 94 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.697 26.0-169.9 -84.4 136.8 4.5 -23.0 -23.4 4 10 A E E -A 62 0A 39 58,-2.4 58,-2.6 -2,-0.3 2,-0.0 -0.923 24.3 -98.3-126.2 154.1 7.6 -25.2 -23.3 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.327 43.7 156.9 -75.6 152.5 9.0 -27.4 -20.5 6 12 A A E -AB 60 21A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.961 25.4-139.8-155.8 164.6 11.8 -26.6 -18.2 7 13 A T E - B 0 20A 82 13,-1.6 13,-3.0 -2,-0.3 2,-0.3 -0.946 26.0-106.4-125.0 151.9 13.0 -27.6 -14.7 8 14 A L E - B 0 19A 35 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.654 20.7-157.3 -72.7 130.7 14.4 -25.6 -11.8 9 15 A I E - B 0 18A 49 9,-3.0 9,-2.3 -2,-0.3 3,-0.1 -0.970 24.7-137.5-104.3 107.9 18.1 -25.9 -11.1 10 16 A K - 0 0 124 -2,-0.6 2,-0.2 7,-0.2 5,-0.1 -0.240 25.4 -92.5 -68.8 151.8 18.4 -24.9 -7.4 11 17 A A + 0 0 61 6,-0.1 2,-0.3 3,-0.1 5,-0.2 -0.523 64.2 141.0 -66.5 126.6 21.3 -22.7 -6.2 12 18 A I > + 0 0 108 3,-0.4 3,-2.3 -2,-0.2 -3,-0.0 -0.966 49.9 31.4-160.3 159.0 24.3 -24.6 -5.1 13 19 A D T 3 S- 0 0 141 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.778 130.1 -60.6 60.9 30.1 28.1 -24.4 -5.3 14 20 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.582 108.5 129.3 72.3 5.4 27.9 -20.6 -5.3 15 21 A N < - 0 0 83 -3,-2.3 -3,-0.4 1,-0.1 -1,-0.3 -0.667 58.2-113.0 -85.5 161.9 25.9 -20.6 -8.5 16 22 A T - 0 0 83 -2,-0.3 -4,-0.2 -5,-0.2 2,-0.1 -0.311 39.5 -84.2 -89.2 157.2 22.7 -18.9 -9.0 17 23 A E + 0 0 59 -6,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.411 57.6 171.5 -44.0 139.3 19.2 -20.4 -9.6 18 24 A K E -B 9 0A 57 -9,-2.3 -9,-3.0 9,-0.1 2,-0.4 -0.863 30.5-119.1-144.7 173.1 18.6 -21.4 -13.2 19 25 A L E -BC 8 26A 14 7,-2.8 7,-2.7 -2,-0.3 2,-0.7 -0.944 19.6-134.3-112.4 143.3 16.2 -23.2 -15.5 20 26 A M E +BC 7 25A 75 -13,-3.0 -13,-1.6 -2,-0.4 2,-0.4 -0.899 31.1 178.8 -93.6 118.0 17.1 -26.2 -17.5 21 27 A Y E > S-BC 6 24A 23 3,-2.5 3,-2.1 -2,-0.7 -15,-0.1 -0.982 70.4 -7.3-127.9 122.4 15.6 -25.6 -21.0 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.843 132.5 -57.9 54.1 37.1 16.1 -28.1 -23.8 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.522 116.5 108.4 75.9 11.4 18.5 -29.8 -21.3 24 30 A Q E < S-C 21 0A 126 -3,-2.1 -3,-2.5 -5,-0.0 2,-0.3 -0.926 72.1-113.8-121.4 142.8 20.8 -26.8 -20.9 25 31 A P E +C 20 0A 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.532 43.2 172.4 -72.5 132.4 21.2 -24.6 -17.8 26 32 A M E -C 19 0A 38 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.4 -0.999 34.7-129.8-140.1 141.8 20.1 -21.0 -18.4 27 33 A V - 0 0 57 -2,-0.3 49,-2.7 47,-0.2 2,-0.4 -0.717 33.3-157.5 -76.6 132.8 19.5 -17.8 -16.5 28 34 A F E -f 76 0B 35 -2,-0.4 2,-0.4 47,-0.3 49,-0.2 -0.900 10.3-157.8-112.4 147.0 16.1 -16.5 -17.3 29 35 A R E -f 77 0B 47 47,-3.2 49,-1.5 -2,-0.4 2,-0.2 -0.992 27.2-117.3-118.8 128.6 14.8 -13.0 -16.9 30 36 A L E > -f 78 0B 19 -2,-0.4 3,-0.8 47,-0.2 49,-0.2 -0.449 31.7-119.4 -66.9 129.3 11.1 -12.4 -16.6 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.2 -1,-0.1 -0.360 84.4 11.0 -63.6 146.8 9.6 -10.4 -19.4 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.523 102.1 102.4 72.6 14.9 7.8 -7.1 -18.8 33 39 A V E < -H 99 0C 0 -3,-0.8 2,-0.5 66,-0.3 66,-0.2 -0.929 53.0-155.8-132.3 155.1 8.8 -6.5 -15.2 34 40 A D E -H 98 0C 63 64,-2.5 64,-2.4 -2,-0.3 -3,-0.0 -0.997 24.4-164.0-120.2 122.7 11.1 -4.5 -13.0 35 41 A I - 0 0 47 -2,-0.5 62,-0.2 62,-0.2 8,-0.1 -0.886 25.8-105.7-112.9 133.2 11.7 -6.3 -9.7 36 42 A P - 0 0 23 0, 0.0 11,-0.1 0, 0.0 10,-0.0 -0.311 39.6-115.0 -54.8 143.4 13.2 -4.5 -6.6 37 43 A E > - 0 0 136 1,-0.1 3,-1.9 9,-0.1 6,-0.3 -0.270 31.9 -99.3 -74.8 163.3 16.7 -5.6 -6.0 38 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.2 5,-0.2 7,-0.1 0.888 122.5 49.9 -58.1 -36.2 17.5 -7.5 -2.8 39 51 A N T 3 S+ 0 0 161 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.539 100.7 82.6 -79.8 -5.4 18.7 -4.4 -0.9 40 52 A E S X S- 0 0 103 -3,-1.9 3,-2.4 1,-0.1 2,-0.1 -0.501 98.9 -74.6 -99.0 163.1 15.7 -2.3 -1.9 41 53 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.406 121.9 10.2 -57.0 133.1 12.2 -2.2 -0.3 42 54 A Y T 3> S+ 0 0 63 -4,-0.1 4,-2.8 -2,-0.1 -1,-0.3 0.325 94.9 116.8 68.1 7.9 10.3 -5.4 -1.2 43 55 A G H <> S+ 0 0 2 -3,-2.4 4,-2.3 -6,-0.3 5,-0.2 0.955 78.8 41.8 -66.5 -48.3 13.4 -6.9 -2.7 44 56 A P H > S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.937 116.2 50.7 -66.6 -34.7 13.5 -9.8 -0.2 45 57 A E H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 110.4 48.2 -70.7 -39.6 9.7 -10.2 -0.5 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.922 114.0 47.2 -66.8 -42.8 9.8 -10.4 -4.3 47 59 A A H X S+ 0 0 49 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.927 113.0 48.4 -64.8 -42.9 12.6 -12.9 -4.2 48 60 A A H X S+ 0 0 61 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.898 111.4 50.1 -64.7 -41.7 10.9 -15.0 -1.6 49 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.933 113.4 44.7 -61.3 -48.4 7.6 -15.0 -3.6 50 62 A T H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.932 113.1 51.5 -61.9 -46.5 9.2 -16.0 -6.9 51 63 A K H X S+ 0 0 95 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.925 110.6 48.1 -62.3 -43.6 11.3 -18.7 -5.1 52 64 A K H X S+ 0 0 134 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.947 111.0 51.2 -61.5 -44.4 8.2 -20.2 -3.5 53 65 A M H < S+ 0 0 29 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.922 117.7 37.1 -61.5 -44.5 6.2 -20.2 -6.7 54 66 A V H >< S+ 0 0 12 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.890 116.2 50.8 -79.7 -34.1 8.9 -22.0 -8.7 55 67 A E H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.836 112.8 47.1 -72.1 -35.0 10.2 -24.4 -6.0 56 68 A N T 3< S+ 0 0 108 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.2 0.522 88.9 111.8 -84.8 -7.1 6.7 -25.6 -5.2 57 69 A A < - 0 0 21 -3,-0.6 3,-0.2 -4,-0.4 -3,-0.0 -0.513 53.0-160.3 -70.4 140.7 5.7 -26.1 -8.8 58 70 A K S S+ 0 0 191 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.896 88.6 25.3 -74.3 -35.6 5.1 -29.6 -10.2 59 71 A K - 0 0 114 -3,-0.1 24,-3.0 -52,-0.1 2,-0.4 -0.983 67.7-166.9-140.3 116.2 5.5 -28.2 -13.7 60 72 A I E -AD 6 82A 12 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.882 14.1-175.6 -97.4 136.6 7.5 -25.2 -14.8 61 73 A E E -AD 5 81A 31 20,-2.4 20,-2.8 -2,-0.4 2,-0.4 -0.981 15.3-148.9-131.1 148.7 7.0 -23.9 -18.3 62 74 A V E -AD 4 80A 0 -58,-2.6 -58,-2.4 -2,-0.3 2,-0.5 -0.930 7.9-166.3-115.3 138.7 8.7 -21.1 -20.3 63 75 A E E -AD 3 79A 14 16,-2.7 16,-2.8 -2,-0.4 -60,-0.2 -0.944 9.1-154.3-126.5 105.8 6.8 -19.2 -23.0 64 76 A F - 0 0 9 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.513 13.7-133.0 -69.5 153.2 8.9 -17.0 -25.3 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.097 35.2 -88.6 -90.3-163.9 7.3 -14.0 -27.0 66 78 A K S S+ 0 0 169 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.624 105.3 50.5 -89.8 -10.0 7.5 -13.2 -30.7 67 79 A G S S- 0 0 34 38,-0.3 38,-0.1 1,-0.3 39,-0.1 0.269 106.5 -6.9-101.5-141.1 10.8 -11.1 -30.5 68 80 A Q - 0 0 116 1,-0.1 -3,-0.3 -4,-0.0 -1,-0.3 -0.266 46.7-164.5 -61.8 138.1 14.1 -11.7 -29.0 69 81 A R S S+ 0 0 126 1,-0.2 8,-2.4 -3,-0.1 2,-0.3 0.615 74.5 35.0-101.0 -16.8 14.5 -14.8 -26.9 70 82 A T B S-G 76 0B 68 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.978 74.8-135.1-135.0 151.7 17.8 -13.9 -25.1 71 83 A D > - 0 0 25 4,-2.1 3,-2.1 -2,-0.3 -2,-0.1 -0.316 43.1 -84.5 -92.6-177.9 19.1 -10.6 -23.9 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.637 129.1 54.6 -65.6 -15.8 22.6 -9.1 -24.3 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.402 120.1-106.9 -93.7 -0.4 23.7 -11.0 -21.2 74 86 A G S < S+ 0 0 48 -3,-2.1 2,-0.3 1,-0.3 -47,-0.2 0.587 71.7 144.8 85.6 7.0 22.6 -14.4 -22.6 75 87 A R - 0 0 75 -49,-0.1 -4,-2.1 -47,-0.1 -1,-0.3 -0.620 54.2-115.2 -80.1 137.8 19.6 -14.6 -20.3 76 88 A G E -fG 28 70B 0 -49,-2.7 -47,-3.2 -2,-0.3 2,-0.6 -0.514 23.9-144.6 -65.6 143.3 16.4 -16.2 -21.7 77 89 A L E +f 29 0B 20 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.961 42.2 129.6-114.1 111.4 13.5 -13.7 -21.9 78 90 A A E -f 30 0B 0 -49,-1.5 -47,-2.3 -2,-0.6 2,-0.5 -0.969 62.8-102.4-154.5 165.6 10.2 -15.4 -21.2 79 91 A Y E -D 63 0A 0 -16,-2.8 -16,-2.7 -2,-0.3 2,-0.4 -0.874 44.9-152.2 -86.7 128.1 6.9 -15.7 -19.5 80 92 A I E -D 62 0A 9 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.922 8.9-162.6-112.2 134.2 7.4 -18.3 -16.8 81 93 A Y E -DE 61 86A 17 -20,-2.8 -20,-2.4 -2,-0.4 2,-0.5 -0.934 10.6-162.0-118.6 140.1 4.5 -20.5 -15.5 82 94 A A E > S-DE 60 85A 2 3,-2.8 3,-2.4 -2,-0.4 -22,-0.2 -0.975 85.8 -24.7-117.8 111.3 4.3 -22.5 -12.3 83 95 A D T 3 S- 0 0 63 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.909 129.7 -48.6 48.2 44.0 1.5 -25.1 -12.6 84 96 A G T 3 S+ 0 0 40 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.347 114.0 118.1 83.8 -5.5 -0.2 -22.9 -15.1 85 97 A K E < -E 82 0A 123 -3,-2.4 -3,-2.8 -32,-0.1 2,-0.4 -0.834 66.4-125.6 -96.7 127.7 0.1 -19.7 -13.0 86 98 A M E > -E 81 0A 9 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.552 12.8-158.2 -75.9 124.1 2.2 -17.0 -14.7 87 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.7 -2,-0.4 5,-0.3 0.909 91.7 55.9 -67.7 -41.1 5.0 -15.8 -12.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.941 113.5 41.1 -58.1 -47.8 5.4 -12.4 -14.2 89 101 A E H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.913 113.0 53.0 -64.8 -43.0 1.7 -11.7 -13.7 90 102 A A H X S+ 0 0 23 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.898 108.5 50.0 -65.5 -40.1 1.5 -13.0 -10.1 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 6,-0.5 0.937 114.0 44.8 -61.7 -49.3 4.5 -10.8 -9.0 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.0 -5,-0.3 5,-0.2 0.933 109.9 56.1 -62.2 -38.9 2.9 -7.7 -10.6 93 105 A R H 3<5S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.0 49.7 -66.4 -27.9 -0.5 -8.5 -9.1 94 106 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.342 116.5-111.7 -88.6 4.5 1.0 -8.7 -5.6 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.6 2,-0.2 -3,-0.2 0.830 86.7 118.9 70.5 28.3 2.7 -5.3 -5.9 96 108 A L S - 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