==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-13 4IUN . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.C.BELL-UPP,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8353.0 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 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.5 -5.0 7.2 -24.8 2 2 A T - 0 0 139 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.861 360.0-142.9-125.1 165.2 -2.7 4.7 -23.2 3 3 A S - 0 0 122 -2,-0.3 2,-0.3 3,-0.0 3,-0.0 -0.693 8.3-128.6-119.4 171.2 -1.8 3.9 -19.5 4 4 A T - 0 0 106 -2,-0.2 2,-0.0 1,-0.1 0, 0.0 -0.831 47.2 -81.1-107.2 160.9 1.2 3.0 -17.4 5 5 A K - 0 0 192 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.312 45.4-120.5 -59.8 142.2 1.2 0.0 -15.0 6 6 A K - 0 0 159 1,-0.2 -1,-0.1 -3,-0.0 -3,-0.0 -0.276 43.9 -80.9 -72.1 168.0 -0.4 0.6 -11.6 7 7 A L - 0 0 24 62,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.341 55.0-168.3 -66.6 149.4 1.8 0.1 -8.5 8 8 A H - 0 0 83 62,-0.4 62,-0.4 -3,-0.1 2,-0.4 -0.986 19.4-119.4-144.5 153.8 2.2 -3.5 -7.5 9 9 A K - 0 0 89 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.774 23.8-166.2 -96.9 136.8 3.5 -5.4 -4.6 10 10 A E E -A 68 0A 17 58,-2.6 58,-2.9 -2,-0.4 -2,-0.0 -0.938 25.5-108.9-120.9 144.4 6.4 -7.8 -4.9 11 11 A P E +A 67 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.309 39.7 167.3 -75.5 153.4 7.4 -10.3 -2.3 12 12 A A E -A 66 0A 11 54,-1.8 54,-0.7 15,-0.1 2,-0.4 -0.956 26.9-127.5-152.2 161.7 10.6 -10.0 -0.2 13 13 A T E -D 26 0B 97 13,-2.1 13,-3.3 -2,-0.3 2,-0.2 -0.930 28.4-109.4-116.5 140.0 12.0 -11.6 2.9 14 14 A L E +D 25 0B 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.436 35.3 167.9 -64.3 130.3 13.3 -9.9 6.0 15 15 A I E - 0 0 68 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.766 69.5 -31.8 -99.7 -54.4 17.0 -9.9 6.5 16 16 A K E -D 24 0B 115 8,-1.7 8,-3.1 44,-0.0 -1,-0.3 -0.946 50.2-118.5-162.0 148.4 17.1 -7.3 9.3 17 17 A A E -D 23 0B 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.616 27.8-177.5 -80.6 138.7 15.4 -4.2 10.6 18 18 A I E - 0 0 78 4,-1.9 2,-0.2 1,-0.4 5,-0.2 0.818 53.4 -39.9-105.4 -61.1 17.8 -1.3 10.7 19 19 A D E > S-D 22 0B 39 3,-2.0 3,-0.8 33,-0.1 -1,-0.4 -0.769 81.5 -57.8-153.3-165.4 16.0 1.7 12.2 20 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.787 133.1 18.4 -55.5 -33.3 12.6 3.4 12.1 21 21 A D T 3 S+ 0 0 6 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.209 113.3 75.7-129.0 18.0 12.5 3.9 8.3 22 22 A T E < +DE 19 35B 8 -3,-0.8 -3,-2.0 13,-0.2 -4,-1.9 -0.999 47.7 168.1-136.6 131.6 15.2 1.5 7.0 23 23 A V E -DE 17 34B 1 11,-2.1 11,-3.1 -2,-0.4 2,-0.5 -0.994 27.4-135.4-142.1 142.6 14.9 -2.3 6.6 24 24 A K E +DE 16 33B 60 -8,-3.1 -9,-2.5 -2,-0.3 -8,-1.7 -0.870 32.0 177.2-102.6 126.3 17.2 -4.8 4.8 25 25 A L E -DE 14 32B 0 7,-2.8 7,-2.6 -2,-0.5 2,-0.8 -0.935 37.0-118.4-128.7 153.1 15.3 -7.3 2.7 26 26 A M E -DE 13 31B 75 -13,-3.3 -13,-2.1 -2,-0.3 2,-0.5 -0.841 40.5-176.8 -91.0 111.7 16.1 -10.2 0.4 27 27 A Y E > - E 0 30B 24 3,-2.9 3,-1.8 -2,-0.8 -15,-0.1 -0.963 66.4 -16.6-122.9 116.5 14.6 -9.0 -2.9 28 28 A K T 3 S- 0 0 159 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.865 129.9 -53.9 53.4 41.1 14.7 -11.3 -5.9 29 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.506 121.3 95.1 76.7 10.3 17.4 -13.3 -4.1 30 30 A Q E < S-E 27 0B 134 -3,-1.8 -3,-2.9 -5,-0.0 2,-0.3 -0.965 78.2-108.2-134.1 143.2 19.8 -10.4 -3.4 31 31 A P E +E 26 0B 70 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.543 39.7 175.3 -69.9 139.0 20.1 -8.2 -0.3 32 32 A M E -E 25 0B 50 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.6 -0.994 27.2-136.9-144.2 132.1 18.8 -4.7 -0.6 33 33 A T E -E 24 0B 43 -2,-0.4 49,-2.3 47,-0.2 2,-0.5 -0.824 26.7-154.5 -85.6 120.4 18.6 -2.0 2.0 34 34 A F E -Ef 23 82B 0 -11,-3.1 -11,-2.1 -2,-0.6 2,-0.5 -0.873 10.4-157.9-100.1 131.7 15.2 -0.2 1.6 35 35 A R E -Ef 22 83B 19 47,-3.7 49,-1.3 -2,-0.5 -13,-0.2 -0.937 31.3-116.6-100.3 129.5 14.5 3.3 2.7 36 36 A L E > - f 0 84B 2 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.398 30.9-117.9 -71.8 129.6 10.8 3.9 3.3 37 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 -2,-0.2 -1,-0.1 -0.294 85.3 8.2 -61.0 144.2 9.2 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 0.466 107.6 94.7 72.8 9.9 7.6 9.6 2.1 39 39 A V E < -H 105 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.871 48.4-164.7-135.3 155.2 8.7 9.4 5.8 40 40 A D E -H 104 0C 65 64,-1.5 64,-2.3 -2,-0.3 3,-0.1 -0.898 11.0-168.1-142.7 110.7 11.3 10.4 8.2 41 41 A T - 0 0 4 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.672 36.4 -94.8 -87.2 154.8 11.8 8.7 11.6 42 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 -1,-0.1 -0.358 47.7 -98.8 -61.2 150.4 14.0 10.2 14.3 43 43 A E > - 0 0 117 1,-0.1 3,-2.4 -24,-0.1 6,-0.3 -0.356 37.8-104.4 -63.5 151.7 17.5 8.9 14.4 44 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.821 122.1 50.6 -50.1 -35.7 18.0 6.2 17.1 45 51 A N T 3 S+ 0 0 129 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.437 99.9 81.6 -84.7 -1.0 19.8 8.7 19.3 46 52 A E S X S- 0 0 96 -3,-2.4 3,-2.3 1,-0.1 0, 0.0 -0.684 99.8 -71.8 -98.6 161.0 17.0 11.3 19.1 47 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.276 122.6 9.5 -51.0 125.2 13.8 11.5 21.1 48 54 A Y T 3> S+ 0 0 47 -4,-0.1 4,-2.5 -7,-0.1 -1,-0.3 0.311 97.0 114.6 81.5 -5.1 11.4 8.8 19.9 49 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.7 -6,-0.3 5,-0.2 0.931 76.6 45.7 -55.4 -53.0 14.2 7.2 17.8 50 56 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.908 113.6 50.0 -61.2 -38.0 14.3 4.0 19.8 51 57 A E H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.2 48.9 -67.5 -40.5 10.5 3.7 19.8 52 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.945 112.5 48.3 -63.9 -47.5 10.4 4.2 16.0 53 59 A S H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 113.6 47.3 -55.2 -45.3 13.1 1.6 15.5 54 60 A A H X S+ 0 0 53 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.880 108.5 54.3 -68.0 -36.8 11.3 -0.8 17.7 55 61 A F H X S+ 0 0 52 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.963 113.9 41.2 -64.2 -48.3 7.9 -0.2 16.1 56 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.931 113.3 53.7 -63.7 -41.2 9.3 -1.0 12.6 57 63 A K H X S+ 0 0 97 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.898 111.2 45.3 -61.2 -48.0 11.3 -3.9 13.9 58 64 A K H X S+ 0 0 141 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.949 112.6 51.9 -62.8 -42.6 8.3 -5.5 15.5 59 65 A M H < S+ 0 0 30 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.914 117.4 37.4 -60.0 -44.6 6.1 -4.9 12.4 60 66 A V H >< S+ 0 0 2 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.884 116.0 50.3 -81.1 -35.2 8.6 -6.5 10.0 61 67 A E H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.827 112.4 47.8 -70.1 -29.0 9.8 -9.4 12.3 62 68 A N T 3< S+ 0 0 110 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.528 89.8 108.1 -88.1 -4.8 6.3 -10.5 13.1 63 69 A A < - 0 0 21 -3,-0.6 3,-0.2 -4,-0.4 -49,-0.1 -0.527 50.3-166.7 -79.0 134.8 5.1 -10.4 9.5 64 70 A K S S+ 0 0 209 -2,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.844 86.2 36.0 -81.0 -30.5 4.5 -13.7 7.7 65 71 A K - 0 0 115 -3,-0.1 24,-3.1 -52,-0.0 2,-0.4 -0.958 67.7-174.4-130.0 113.9 4.4 -11.8 4.4 66 72 A I E -AB 12 88A 10 -54,-0.7 -54,-1.8 -2,-0.5 2,-0.4 -0.893 10.5-170.4-102.0 137.3 6.6 -8.7 3.5 67 73 A E E -AB 11 87A 28 20,-2.2 20,-2.7 -2,-0.4 2,-0.4 -0.975 14.3-148.6-128.2 146.1 6.0 -6.9 0.3 68 74 A V E -AB 10 86A 0 -58,-2.9 -58,-2.6 -2,-0.4 2,-0.5 -0.931 11.8-172.7-109.2 133.9 7.9 -4.2 -1.5 69 75 A E E - B 0 85A 14 16,-2.5 16,-2.9 -2,-0.4 -60,-0.2 -0.937 9.3-156.7-129.6 103.5 6.0 -1.6 -3.6 70 76 A F - 0 0 12 -2,-0.5 -62,-0.4 -62,-0.4 14,-0.2 -0.471 15.9-131.7 -68.5 151.5 8.0 0.8 -5.7 71 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.140 33.8 -90.1 -87.4-167.3 6.4 4.0 -6.7 72 78 A K S S+ 0 0 115 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.463 103.4 44.9 -90.0 -0.4 6.4 5.4 -10.3 73 79 A G S S+ 0 0 29 1,-0.3 39,-0.1 36,-0.1 37,-0.0 0.088 105.1 2.9-116.0-134.3 9.7 7.4 -10.1 74 80 A Q - 0 0 139 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.259 48.7-166.8 -60.1 138.7 13.2 6.9 -8.7 75 81 A R + 0 0 116 -3,-0.1 8,-2.1 1,-0.1 2,-0.3 0.529 68.6 39.1-101.1 -15.8 13.8 3.4 -7.3 76 82 A T B S-G 82 0B 79 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.970 71.3-133.0-133.8 150.4 17.0 4.1 -5.5 77 83 A D > - 0 0 32 4,-2.5 3,-1.9 -2,-0.3 -2,-0.1 -0.419 42.1 -93.1 -90.7 178.1 18.5 6.9 -3.5 78 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.565 125.8 57.4 -69.3 -12.3 22.0 8.3 -4.0 79 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.317 121.6-104.9 -96.7 1.8 23.3 6.0 -1.3 80 86 A G S < S+ 0 0 55 -3,-1.9 2,-0.3 1,-0.3 -47,-0.2 0.525 73.4 140.5 93.9 0.7 22.1 2.9 -3.2 81 87 A R - 0 0 68 -49,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.633 55.4-114.8 -78.9 144.8 19.1 2.2 -1.0 82 88 A G E -fG 34 76B 0 -49,-2.3 -47,-3.7 -2,-0.3 2,-0.5 -0.448 23.7-141.2 -71.7 145.8 15.8 1.0 -2.6 83 89 A L E +f 35 0B 24 -8,-2.1 -12,-0.5 -49,-0.2 2,-0.3 -0.965 43.6 127.8-116.7 113.6 13.0 3.5 -2.2 84 90 A A E -f 36 0B 0 -49,-1.3 -47,-2.2 -2,-0.5 2,-0.5 -0.969 61.4-101.7-156.4 163.5 9.6 1.8 -1.6 85 91 A Y E -B 69 0A 0 -16,-2.9 -16,-2.5 -2,-0.3 2,-0.5 -0.878 41.9-151.6 -89.8 133.6 6.5 1.4 0.4 86 92 A I E -B 68 0A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.936 8.6-162.7-114.7 133.2 6.9 -1.7 2.6 87 93 A Y E -BC 67 92A 16 -20,-2.7 -20,-2.2 -2,-0.5 2,-0.5 -0.887 8.6-162.1-117.9 142.4 3.9 -3.8 3.7 88 94 A A E > S-BC 66 91A 7 3,-2.7 3,-1.9 -2,-0.4 -22,-0.2 -0.973 83.3 -24.5-125.7 108.7 3.8 -6.3 6.5 89 95 A D T 3 S- 0 0 80 -24,-3.1 -23,-0.1 -2,-0.5 -1,-0.1 0.882 129.6 -48.9 49.7 41.9 0.8 -8.7 6.2 90 96 A G T 3 S+ 0 0 45 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.308 115.1 114.5 91.0 -8.6 -1.0 -6.1 4.1 91 97 A K E < -C 88 0A 129 -3,-1.9 -3,-2.7 -32,-0.1 2,-0.5 -0.839 68.3-124.6 -98.6 123.2 -0.4 -3.2 6.4 92 98 A M E > -C 87 0A 7 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.579 12.3-157.3 -71.2 121.8 1.9 -0.4 5.1 93 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.6 -2,-0.5 5,-0.2 0.908 93.0 56.6 -63.2 -45.3 4.8 0.2 7.5 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.935 111.5 42.3 -50.4 -50.5 5.2 3.8 6.1 95 101 A E H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.916 111.7 54.6 -62.0 -43.9 1.6 4.6 7.0 96 102 A A H X S+ 0 0 10 -4,-2.5 4,-1.6 1,-0.2 6,-0.2 0.907 107.6 50.4 -62.8 -39.9 1.7 2.9 10.4 97 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.9 0.916 113.2 45.1 -61.0 -48.6 4.7 4.9 11.5 98 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.6 -5,-0.2 -2,-0.2 0.921 110.8 53.3 -64.2 -41.6 3.1 8.2 10.5 99 105 A R H 3<5S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.9 51.7 -64.8 -30.6 -0.2 7.3 12.0 100 106 A Q T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.473 114.9-114.7 -81.9 -4.7 1.6 6.5 15.3 101 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.4 -4,-0.3 -3,-0.2 0.735 87.6 115.6 74.5 20.1 3.4 9.9 15.4 102 108 A L S - 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