==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-11 3RUZ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,I.CLARK,A.HEROUX,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) . 7368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 64.3 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 . 29 22.5 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 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 1 1 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 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 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 7 A L 0 0 75 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 168.9 15.0 -6.0 -26.7 2 8 A H - 0 0 122 62,-0.3 62,-0.4 63,-0.1 2,-0.2 -0.998 360.0-113.5-147.0 154.3 15.3 -2.9 -24.6 3 9 A K - 0 0 90 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.523 30.8-176.4 -74.4 151.1 14.1 -1.7 -21.2 4 10 A E E -A 62 0A 41 58,-2.3 58,-2.4 -2,-0.2 -2,-0.0 -0.923 37.0 -76.1-141.5 164.3 11.8 1.3 -21.0 5 11 A P E -A 61 0A 106 0, 0.0 2,-0.4 0, 0.0 56,-0.2 -0.206 43.0-164.0 -62.7 147.6 10.4 3.1 -18.0 6 12 A A E -A 60 0A 15 54,-1.6 2,-0.6 55,-0.1 54,-0.5 -0.983 11.9-145.9-129.2 152.5 7.6 1.6 -16.0 7 13 A T - 0 0 84 13,-0.4 13,-2.4 -2,-0.4 2,-0.4 -0.962 17.8-144.6-121.7 108.4 5.2 3.2 -13.5 8 14 A L E +D 19 0B 51 -2,-0.6 11,-0.2 11,-0.2 3,-0.1 -0.666 24.5 172.2 -78.6 125.4 4.2 1.0 -10.6 9 15 A I E - 0 0 76 9,-2.9 2,-0.3 -2,-0.4 10,-0.2 0.837 69.0 -42.0 -87.5 -52.7 0.7 1.4 -9.2 10 16 A K E -D 18 0B 120 8,-1.5 8,-3.1 0, 0.0 -1,-0.4 -0.948 54.4-102.7-168.4 151.9 0.9 -1.6 -6.9 11 17 A A E -D 17 0B 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.490 30.2-175.8 -71.8 150.7 2.1 -5.2 -6.6 12 18 A I - 0 0 73 4,-1.6 2,-0.2 1,-0.5 5,-0.2 0.656 53.1 -43.1-112.6 -65.1 -0.6 -7.8 -7.0 13 19 A D S S- 0 0 23 3,-1.9 3,-0.5 33,-0.1 -1,-0.5 -0.774 80.7 -52.3-151.5-160.6 0.9 -11.3 -6.5 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.804 131.9 15.8 -53.5 -42.4 4.0 -13.4 -7.4 15 21 A D S S+ 0 0 9 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.292 115.8 68.1-130.6 22.6 3.7 -12.9 -11.1 16 22 A T E + E 0 29B 11 -3,-0.5 -3,-1.9 13,-0.2 -4,-1.6 -0.992 48.4 174.7-135.5 146.7 1.5 -10.0 -11.7 17 23 A V E -DE 11 28B 1 11,-2.1 11,-3.4 -2,-0.4 2,-0.6 -0.954 30.8-119.3-139.9 159.9 1.8 -6.3 -10.9 18 24 A K E +DE 10 27B 48 -8,-3.1 -9,-2.9 -2,-0.3 -8,-1.5 -0.904 36.4 178.5-104.9 121.5 -0.3 -3.2 -11.7 19 25 A L E -DE 8 26B 0 7,-2.7 7,-3.1 -2,-0.6 2,-0.8 -0.887 33.3-126.4-115.9 159.1 1.4 -0.6 -13.9 20 26 A M E - E 0 25B 73 -13,-2.4 2,-0.5 -2,-0.3 -13,-0.4 -0.890 36.1-178.0-100.4 104.9 0.2 2.7 -15.4 21 27 A Y E > - E 0 24B 46 3,-2.7 3,-1.9 -2,-0.8 -15,-0.1 -0.958 68.8 -19.3-114.2 119.7 1.1 2.3 -19.0 22 28 A K T 3 S- 0 0 164 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.834 129.2 -53.6 49.7 36.7 0.3 5.2 -21.3 23 29 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.587 116.3 114.9 80.8 8.7 -2.0 6.5 -18.6 24 30 A Q E < -E 21 0B 119 -3,-1.9 -3,-2.7 2,-0.0 2,-0.5 -0.949 67.6-128.3-112.8 131.2 -4.0 3.3 -18.4 25 31 A P E +E 20 0B 79 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.623 42.5 173.5 -76.5 122.8 -4.0 1.2 -15.2 26 32 A M E -E 19 0B 38 -7,-3.1 -7,-2.7 -2,-0.5 2,-0.5 -0.990 36.5-125.3-135.7 142.8 -3.1 -2.3 -16.4 27 33 A T E -E 18 0B 34 -2,-0.4 49,-2.3 -9,-0.2 2,-0.5 -0.746 29.5-157.2 -79.0 130.4 -2.3 -5.7 -14.9 28 34 A F E -Ef 17 76B 1 -11,-3.4 -11,-2.1 -2,-0.5 2,-0.5 -0.946 1.8-152.9-109.5 134.4 1.0 -6.9 -16.2 29 35 A R E -Ef 16 77B 18 47,-3.3 49,-1.4 -2,-0.5 2,-0.3 -0.866 25.2-115.3-104.6 129.6 1.8 -10.7 -16.2 30 36 A L E > - f 0 78B 2 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.481 33.3-116.8 -66.3 131.9 5.5 -11.6 -16.0 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.318 84.8 5.7 -67.7 144.2 6.7 -13.5 -19.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.5 1,-0.2 2,-0.3 0.514 108.1 90.8 71.6 11.8 8.0 -17.0 -18.9 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.890 50.8-160.7-135.5 160.4 7.2 -17.8 -15.3 34 40 A D E -H 98 0C 58 64,-1.8 64,-2.3 -2,-0.3 3,-0.0 -0.906 10.3-169.9-142.4 115.5 4.5 -19.1 -13.1 35 41 A T - 0 0 4 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.726 36.7 -95.1 -92.4 155.3 4.3 -18.5 -9.3 36 42 A P - 0 0 12 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.315 47.9 -97.4 -57.7 150.7 1.8 -20.3 -7.1 37 43 A E > - 0 0 114 1,-0.1 3,-2.2 -24,-0.1 6,-0.2 -0.323 45.4 -97.1 -62.5 154.6 -1.5 -18.6 -6.4 38 50 A F T 3 S+ 0 0 118 1,-0.3 -1,-0.1 5,-0.2 7,-0.1 0.820 122.4 43.9 -53.2 -32.6 -1.5 -16.7 -3.1 39 51 A N T 3 S+ 0 0 147 4,-0.2 -1,-0.3 5,-0.1 2,-0.2 0.409 97.5 88.9-104.0 13.0 -3.2 -19.4 -1.1 40 52 A E S X S- 0 0 102 -3,-2.2 3,-2.5 1,-0.1 0, 0.0 -0.610 99.2 -71.1 -90.7 162.5 -1.1 -22.3 -2.5 41 53 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.280 123.9 11.0 -57.4 134.8 2.1 -23.3 -0.9 42 54 A Y T 3> S+ 0 0 38 -4,-0.1 4,-2.9 -3,-0.1 -1,-0.3 0.281 98.9 112.0 72.3 -2.8 4.9 -20.7 -1.5 43 55 A G H <> S+ 0 0 0 -3,-2.5 4,-2.6 -6,-0.2 -29,-0.2 0.937 76.7 45.0 -62.0 -48.1 2.2 -18.4 -2.8 44 56 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.897 115.2 49.9 -63.7 -35.4 2.5 -15.9 0.1 45 57 A E H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.908 110.8 47.4 -69.0 -44.6 6.3 -16.1 -0.2 46 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.927 113.3 50.0 -62.6 -42.7 6.3 -15.4 -4.0 47 59 A S H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.903 112.1 47.3 -57.7 -46.5 3.9 -12.5 -3.5 48 60 A A H X S+ 0 0 49 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.849 110.9 52.1 -68.3 -36.2 6.0 -11.0 -0.8 49 61 A F H X S+ 0 0 68 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.954 113.5 41.4 -63.0 -51.5 9.2 -11.4 -2.8 50 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.922 114.7 53.7 -62.8 -40.5 7.8 -9.7 -5.9 51 63 A K H X S+ 0 0 94 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.950 113.2 40.5 -64.2 -47.4 6.1 -7.0 -3.8 52 64 A K H X S+ 0 0 129 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.909 112.9 55.8 -69.7 -37.2 9.2 -6.1 -1.9 53 65 A M H X S+ 0 0 38 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.949 116.7 34.6 -61.3 -44.1 11.4 -6.3 -5.0 54 66 A V H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 120.4 47.1 -78.1 -34.1 9.3 -3.8 -7.0 55 67 A E H < S+ 0 0 87 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.848 112.0 48.8 -75.5 -37.7 8.2 -1.5 -4.1 56 68 A N H < S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.663 90.7 103.6 -80.2 -13.3 11.7 -1.1 -2.6 57 69 A A < - 0 0 22 -4,-0.6 3,-0.1 -5,-0.2 -3,-0.0 -0.357 68.5-141.6 -65.4 144.3 13.3 -0.3 -6.0 58 70 A K S S+ 0 0 196 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.836 90.1 11.4 -66.5 -34.2 14.3 3.2 -6.9 59 71 A K - 0 0 123 -52,-0.0 24,-2.4 2,-0.0 2,-0.4 -0.993 64.5-158.6-146.4 134.9 13.2 2.5 -10.5 60 72 A I E -AB 6 82A 13 -54,-0.5 -54,-1.6 -2,-0.3 2,-0.3 -0.951 14.2-172.8-115.8 147.9 11.2 -0.2 -12.2 61 73 A E E -AB 5 81A 27 20,-2.4 20,-2.8 -2,-0.4 2,-0.3 -0.935 10.9-145.1-125.1 160.3 11.5 -0.8 -15.9 62 74 A K E -AB 4 80A 4 -58,-2.4 -58,-2.3 -2,-0.3 2,-0.4 -0.894 5.1-163.1-122.9 156.3 9.6 -3.1 -18.3 63 75 A E E - B 0 79A 13 16,-2.1 16,-2.7 -2,-0.3 2,-0.2 -0.942 10.1-151.4-141.4 111.2 10.9 -4.9 -21.4 64 76 A F - 0 0 10 -62,-0.4 -62,-0.3 -2,-0.4 14,-0.2 -0.558 14.8-134.3 -75.6 152.7 8.5 -6.3 -24.0 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.146 33.8 -91.3 -90.7-168.7 9.5 -9.3 -26.1 66 78 A K S S+ 0 0 162 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.584 103.2 46.0 -85.7 -16.0 9.1 -9.6 -29.9 67 79 A G S S+ 0 0 36 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.240 106.0 1.6 -99.3-134.2 5.6 -11.2 -29.9 68 80 A Q - 0 0 124 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.269 46.1-169.1 -58.5 136.2 2.3 -10.5 -28.1 69 81 A R S S+ 0 0 123 1,-0.1 8,-1.9 -3,-0.1 2,-0.3 0.519 76.1 35.5-101.9 -11.2 2.4 -7.5 -25.8 70 82 A T B S-G 76 0B 71 6,-0.2 6,-0.2 -42,-0.1 -1,-0.1 -0.987 77.7-134.6-133.9 151.9 -1.0 -8.4 -24.2 71 83 A D > - 0 0 20 4,-2.3 3,-2.4 -2,-0.3 -2,-0.0 -0.389 40.6 -88.0 -95.9-178.0 -2.7 -11.7 -23.5 72 84 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.494 127.2 56.5 -70.5 -3.7 -6.2 -12.8 -24.1 73 85 A Y T 3 S- 0 0 168 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.327 120.1-106.6-105.4 4.4 -7.2 -11.4 -20.8 74 86 A G S < S+ 0 0 49 -3,-2.4 2,-0.3 1,-0.3 -47,-0.2 0.561 72.9 142.0 80.6 14.6 -6.0 -7.9 -21.6 75 87 A R - 0 0 70 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.656 55.1-113.7 -87.1 142.8 -2.9 -8.2 -19.3 76 88 A G E -fG 28 70B 0 -49,-2.3 -47,-3.3 -2,-0.3 2,-0.5 -0.311 25.3-145.4 -65.0 148.4 0.4 -6.7 -20.4 77 89 A L E +f 29 0B 19 -8,-1.9 -12,-0.4 -49,-0.2 2,-0.3 -0.973 39.8 126.1-122.6 114.2 3.2 -9.2 -21.0 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.3 -2,-0.5 2,-0.4 -0.980 59.6-104.7-153.8 164.4 6.7 -8.2 -20.1 79 91 A Y E -B 63 0A 0 -16,-2.7 -16,-2.1 -2,-0.3 2,-0.4 -0.862 41.7-148.1 -88.6 135.9 9.9 -8.8 -18.3 80 92 A I E -B 62 0A 1 -2,-0.4 7,-3.3 -18,-0.2 8,-0.7 -0.928 10.7-163.6-113.2 134.8 10.1 -6.5 -15.2 81 93 A Y E -BC 61 86A 19 -20,-2.8 -20,-2.4 -2,-0.4 2,-0.6 -0.942 7.3-160.7-119.6 137.6 13.3 -5.1 -13.8 82 94 A A E > S-BC 60 85A 6 3,-2.8 3,-1.9 -2,-0.4 -22,-0.2 -0.966 84.6 -20.9-117.7 113.4 13.8 -3.5 -10.4 83 95 A D T 3 S- 0 0 73 -24,-2.4 -1,-0.2 -2,-0.6 -23,-0.1 0.902 130.7 -50.9 50.3 38.9 16.9 -1.4 -10.2 84 96 A G T 3 S+ 0 0 37 1,-0.2 2,-0.5 -25,-0.2 -1,-0.3 0.405 114.4 116.6 88.7 -8.4 18.2 -3.3 -13.2 85 97 A K E < -C 82 0A 147 -3,-1.9 -3,-2.8 4,-0.0 2,-0.4 -0.865 69.0-120.7 -98.7 126.7 17.6 -6.8 -11.7 86 98 A M E > -C 81 0A 16 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.548 15.4-159.2 -70.6 119.2 15.0 -9.0 -13.6 87 99 A V H > S+ 0 0 1 -7,-3.3 4,-2.5 -2,-0.4 5,-0.2 0.917 92.7 57.0 -61.7 -39.6 12.1 -9.9 -11.3 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.929 111.1 42.5 -59.3 -46.2 11.2 -12.9 -13.6 89 101 A E H > S+ 0 0 56 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.895 111.6 53.7 -65.7 -40.1 14.7 -14.3 -13.2 90 102 A A H X S+ 0 0 17 -4,-2.2 4,-1.8 1,-0.2 6,-0.2 0.923 107.1 51.8 -67.4 -36.6 15.0 -13.7 -9.5 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-1.0 0.919 113.3 44.0 -61.8 -46.3 11.8 -15.5 -8.8 92 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.7 -5,-0.2 -2,-0.2 0.930 110.8 54.5 -68.2 -42.0 12.9 -18.6 -10.7 93 105 A R H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.6 47.8 -61.3 -31.3 16.4 -18.5 -9.2 94 106 A Q T 3<5S- 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.392 115.6-113.6 -90.7 4.9 14.9 -18.5 -5.7 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.4 -4,-0.2 -3,-0.2 0.716 86.4 117.2 71.8 25.4 12.6 -21.4 -6.5 96 108 A L S - 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