==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2RBM . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 64.6 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 . 28 21.5 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 2.3 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.8 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 3 1 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 6 A K 0 0 213 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 12.9 16.5 -6.4 -29.0 2 7 A L - 0 0 25 63,-0.1 2,-0.3 62,-0.0 64,-0.1 -0.352 360.0-156.8 26.7 100.9 14.3 -6.4 -26.6 3 8 A H - 0 0 105 62,-0.3 62,-0.4 -2,-0.2 2,-0.2 -0.979 10.7-120.7-131.0 145.9 14.5 -3.0 -25.0 4 9 A K - 0 0 85 -2,-0.3 60,-0.2 60,-0.2 77,-0.0 -0.549 21.4-165.1 -90.9 164.9 13.5 -1.8 -21.6 5 10 A E E -A 63 0A 38 58,-1.3 58,-2.6 -2,-0.2 2,-0.1 -0.975 34.1 -93.7-150.5 133.4 11.0 0.8 -20.7 6 11 A P E -A 62 0A 116 0, 0.0 2,-0.4 0, 0.0 56,-0.3 -0.361 41.4-148.4 -58.5 135.9 10.4 2.7 -17.4 7 12 A A - 0 0 14 54,-3.1 2,-0.6 75,-0.1 54,-0.3 -0.898 4.4-151.6-110.0 134.6 7.7 0.9 -15.4 8 13 A T - 0 0 86 -2,-0.4 13,-2.6 13,-0.4 2,-0.5 -0.937 17.4-145.0-105.5 119.0 5.3 2.8 -13.1 9 14 A L E +D 20 0B 40 -2,-0.6 11,-0.2 11,-0.2 3,-0.1 -0.694 27.6 171.4 -90.9 125.8 4.2 0.6 -10.2 10 15 A I E S- 0 0 74 9,-2.9 2,-0.3 -2,-0.5 10,-0.2 0.875 71.8 -37.7 -88.0 -59.7 0.7 0.9 -8.8 11 16 A K E -D 19 0B 115 8,-1.4 8,-3.5 0, 0.0 -1,-0.3 -0.977 52.9-108.4-163.3 148.9 0.9 -2.2 -6.6 12 17 A A E -D 18 0B 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.525 30.3-175.1 -68.4 146.8 2.4 -5.7 -6.4 13 18 A I - 0 0 75 4,-1.8 2,-0.2 1,-0.5 5,-0.2 0.756 53.2 -39.4-110.3 -64.3 -0.4 -8.4 -6.6 14 19 A D S S- 0 0 19 3,-1.9 -1,-0.5 33,-0.1 3,-0.4 -0.701 82.6 -56.1-146.5-160.0 1.1 -11.8 -6.1 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.808 131.6 17.5 -58.8 -33.1 4.3 -13.8 -7.0 16 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.236 115.1 68.6-133.7 13.7 4.0 -13.4 -10.8 17 22 A T E + E 0 30B 11 -3,-0.4 -3,-1.9 13,-0.2 -4,-1.8 -0.996 49.6 173.0-134.4 145.4 1.5 -10.5 -11.3 18 23 A V E -DE 12 29B 1 11,-2.1 11,-3.0 -2,-0.4 2,-0.6 -0.960 30.8-120.4-141.2 153.7 1.9 -6.7 -10.6 19 24 A K E -DE 11 28B 44 -8,-3.5 -9,-2.9 -2,-0.3 -8,-1.4 -0.912 34.3-178.4-100.8 118.6 -0.3 -3.7 -11.4 20 25 A L E -DE 9 27B 4 7,-2.7 7,-2.6 -2,-0.6 2,-1.0 -0.817 34.1-127.2-110.4 151.5 1.4 -1.1 -13.5 21 26 A M E - E 0 26B 76 -13,-2.6 2,-0.6 -2,-0.3 -13,-0.4 -0.865 38.7-175.3 -90.6 102.1 0.3 2.3 -14.8 22 27 A Y E > - E 0 25B 55 3,-3.0 3,-1.9 -2,-1.0 -15,-0.1 -0.917 69.8 -19.9-112.0 115.0 1.1 1.7 -18.5 23 28 A K T 3 S- 0 0 196 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.787 130.3 -56.1 32.1 34.5 0.5 4.7 -20.8 24 29 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 -16,-0.1 -3,-0.1 0.493 113.8 118.2 111.5 26.1 -1.5 5.7 -18.0 25 30 A Q E < -E 22 0B 117 -3,-1.9 -3,-3.0 2,-0.0 2,-0.4 -0.970 69.0-120.0 -88.8 132.6 -3.9 2.8 -17.8 26 31 A P E +E 21 0B 77 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.578 48.7 173.8 -67.4 121.2 -4.0 0.6 -14.6 27 32 A M E -E 20 0B 49 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.3 -0.991 34.5-129.9-144.6 125.6 -3.0 -2.7 -16.1 28 33 A T E -E 19 0B 36 -2,-0.4 49,-2.7 -9,-0.2 2,-0.4 -0.614 25.7-160.0 -70.4 130.8 -2.2 -6.2 -14.6 29 34 A F E -Ef 18 77B 1 -11,-3.0 -11,-2.1 -2,-0.3 2,-0.5 -0.963 3.0-152.9-112.9 133.7 1.1 -7.5 -16.0 30 35 A R E -Ef 17 78B 18 47,-3.3 49,-1.6 -2,-0.4 2,-0.2 -0.912 25.8-113.6-104.6 132.3 1.9 -11.2 -15.8 31 36 A L E > - f 0 79B 2 -15,-2.6 3,-0.8 -2,-0.5 49,-0.2 -0.460 33.4-118.9 -70.0 129.4 5.5 -12.3 -15.7 32 37 A L T 3 S+ 0 0 12 47,-2.2 49,-0.1 -2,-0.2 71,-0.1 -0.366 84.7 5.9 -68.3 146.3 6.7 -14.2 -18.8 33 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.474 108.4 91.5 67.0 13.1 8.1 -17.7 -18.5 34 39 A V E < -H 100 0C 0 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.876 51.2-159.4-135.5 163.6 7.3 -18.4 -14.8 35 40 A D E -H 99 0C 53 64,-1.7 64,-2.4 -2,-0.3 3,-0.1 -0.899 11.2-170.0-144.3 113.0 4.6 -19.7 -12.5 36 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.710 36.1 -95.1 -90.2 155.4 4.5 -18.8 -8.8 37 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.294 49.9 -92.9 -58.0 149.8 2.2 -20.6 -6.3 38 43 A E > - 0 0 81 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.306 42.2 -99.4 -55.6 156.0 -1.1 -19.0 -5.6 39 50 A F T 3 S+ 0 0 140 1,-0.3 -1,-0.1 5,-0.2 4,-0.1 0.686 125.6 43.0 -55.2 -24.2 -1.3 -16.6 -2.5 40 51 A N T 3 S+ 0 0 118 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.182 99.6 86.7-111.6 13.5 -2.8 -19.5 -0.5 41 52 A E S X S- 0 0 104 -3,-2.4 3,-2.4 1,-0.1 2,-0.0 -0.688 96.9 -70.5-106.9 165.7 -0.6 -22.4 -1.7 42 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.360 123.1 8.9 -66.1 138.6 2.7 -23.4 -0.2 43 54 A Y T 3> S+ 0 0 37 -4,-0.1 4,-2.9 -7,-0.1 -1,-0.3 0.299 100.3 111.7 67.8 0.5 5.5 -20.8 -1.0 44 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.6 -6,-0.2 5,-0.2 0.944 76.2 44.6 -63.3 -52.7 2.7 -18.5 -2.3 45 56 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 115.6 50.5 -60.4 -34.5 3.0 -15.9 0.4 46 57 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 110.4 47.4 -67.3 -48.7 6.8 -16.1 0.1 47 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.921 112.6 50.8 -55.7 -48.3 6.7 -15.6 -3.7 48 59 A S H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.921 112.6 45.7 -54.3 -46.7 4.2 -12.7 -3.3 49 60 A A H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.815 110.9 53.0 -69.9 -32.4 6.5 -11.0 -0.7 50 61 A F H X S+ 0 0 67 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.963 113.6 41.3 -68.8 -52.1 9.6 -11.5 -2.8 51 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.897 114.6 54.6 -57.5 -44.9 8.2 -9.9 -5.9 52 63 A K H X S+ 0 0 91 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.963 114.4 36.8 -58.1 -55.1 6.5 -7.1 -3.8 53 64 A K H X S+ 0 0 127 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.878 114.1 57.2 -69.2 -37.0 9.7 -6.0 -2.1 54 65 A M H < S+ 0 0 37 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.918 116.6 34.1 -61.7 -42.8 11.9 -6.5 -5.1 55 66 A V H >< S+ 0 0 3 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.927 118.5 52.5 -80.5 -41.8 9.8 -4.2 -7.3 56 67 A E H 3< S+ 0 0 78 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.889 110.5 47.2 -56.9 -44.6 8.9 -1.8 -4.4 57 68 A N T 3< S+ 0 0 116 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 0.590 88.4 104.4 -76.1 -11.9 12.5 -1.2 -3.3 58 69 A A < - 0 0 5 -3,-0.8 3,-0.1 -4,-0.5 24,-0.0 -0.583 55.1-159.4 -78.4 127.9 13.9 -0.6 -6.7 59 70 A K S S+ 0 0 193 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.944 90.2 46.6 -58.0 -48.3 14.8 2.9 -7.7 60 71 A K S S- 0 0 114 -3,-0.1 24,-3.2 -54,-0.0 2,-0.5 -0.880 72.3-177.3-105.9 110.6 14.7 1.9 -11.4 61 72 A K E + B 0 83A 49 -2,-0.7 -54,-3.1 -54,-0.3 2,-0.3 -0.935 11.1 179.9-107.8 127.9 11.6 -0.3 -12.3 62 73 A E E -AB 6 82A 25 20,-2.5 20,-2.8 -2,-0.5 2,-0.4 -0.973 21.7-155.6-133.2 150.4 11.5 -1.5 -15.9 63 74 A V E -AB 5 81A 0 -58,-2.6 -58,-1.3 -2,-0.3 2,-0.4 -0.940 10.3-170.7-120.6 139.1 9.3 -3.6 -18.2 64 75 A E E - B 0 80A 12 16,-2.4 16,-3.1 -2,-0.4 -60,-0.2 -0.961 10.6-151.2-133.7 112.8 10.6 -5.4 -21.3 65 76 A F - 0 0 12 -62,-0.4 -62,-0.3 -2,-0.4 14,-0.2 -0.468 16.5-128.7 -75.2 155.4 8.2 -7.0 -23.7 66 77 A D - 0 0 3 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.184 35.4 -88.9 -87.7-167.1 9.3 -10.0 -25.7 67 78 A K S S+ 0 0 129 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.587 104.4 47.8 -81.7 -12.4 9.0 -10.4 -29.6 68 79 A G S S- 0 0 28 38,-0.3 39,-0.1 1,-0.3 -2,-0.0 0.158 105.9 -5.6-108.1-141.4 5.5 -11.8 -29.6 69 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.213 47.9-163.4 -60.8 137.4 2.2 -11.1 -28.0 70 81 A R S S+ 0 0 107 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.486 75.3 37.5-103.1 -9.1 2.3 -8.3 -25.4 71 82 A T B S-G 77 0B 73 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.968 77.2-135.6-135.8 150.0 -1.0 -9.2 -23.8 72 83 A D > - 0 0 20 4,-1.9 3,-2.5 -2,-0.3 -2,-0.1 -0.391 43.6 -83.2 -93.3-174.6 -2.6 -12.5 -23.1 73 84 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.591 129.2 57.6 -68.6 -11.2 -6.2 -13.7 -23.6 74 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.245 118.8-108.8 -99.9 10.0 -7.1 -12.0 -20.3 75 86 A G S < S+ 0 0 51 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.591 72.0 142.8 69.5 11.3 -5.9 -8.6 -21.4 76 87 A R - 0 0 72 -49,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.633 56.2-112.3 -78.0 141.0 -2.9 -8.8 -19.0 77 88 A G E -fG 29 71B 1 -49,-2.7 -47,-3.3 -2,-0.3 2,-0.5 -0.405 26.1-147.8 -59.6 144.5 0.5 -7.4 -20.1 78 89 A L E +f 30 0B 20 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.975 40.1 127.1-119.9 117.6 3.2 -10.1 -20.7 79 90 A A E -f 31 0B 1 -49,-1.6 -47,-2.2 -2,-0.5 2,-0.4 -0.979 60.2-102.9-155.4 164.9 6.7 -8.9 -19.9 80 91 A Y E -B 64 0A 0 -16,-3.1 -16,-2.4 -2,-0.3 2,-0.4 -0.848 38.8-151.2 -88.5 140.9 9.9 -9.3 -18.1 81 92 A I E -B 63 0A 4 -2,-0.4 7,-2.8 -18,-0.2 8,-0.6 -0.939 9.7-164.6-116.2 135.9 10.2 -7.0 -15.1 82 93 A Y E -BC 62 87A 16 -20,-2.8 -20,-2.5 -2,-0.4 2,-0.5 -0.942 9.2-161.9-122.7 145.4 13.5 -5.6 -13.9 83 94 A A E > S-BC 61 86A 5 3,-2.9 3,-2.1 -2,-0.4 -22,-0.2 -0.981 82.4 -22.1-126.9 115.7 14.3 -4.0 -10.6 84 95 A D T 3 S- 0 0 56 -24,-3.2 -1,-0.1 -2,-0.5 -23,-0.1 0.901 130.2 -49.6 44.5 43.1 17.6 -2.0 -10.6 85 96 A G T 3 S+ 0 0 38 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.329 115.5 114.0 88.1 -9.6 18.7 -4.1 -13.5 86 97 A K E < -C 83 0A 131 -3,-2.1 -3,-2.9 4,-0.0 2,-0.4 -0.821 68.3-122.5 -99.0 135.1 17.9 -7.5 -12.0 87 98 A M E > -C 82 0A 6 -2,-0.4 4,-2.3 -5,-0.2 -5,-0.3 -0.598 11.3-156.7 -79.8 125.4 15.1 -9.5 -13.6 88 99 A V H > S+ 0 0 0 -7,-2.8 4,-2.6 -2,-0.4 5,-0.2 0.902 94.4 56.7 -60.9 -47.3 12.3 -10.4 -11.2 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.912 112.2 41.9 -50.3 -49.3 11.3 -13.4 -13.4 90 101 A E H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.898 111.7 53.6 -66.6 -45.6 14.9 -14.8 -13.1 91 102 A A H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 6,-0.2 0.885 107.6 51.8 -62.8 -38.5 15.3 -14.0 -9.4 92 103 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-0.9 0.938 113.4 44.0 -62.9 -46.4 12.0 -15.9 -8.5 93 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.5 -5,-0.2 -2,-0.2 0.933 110.7 54.3 -64.6 -45.5 13.2 -19.0 -10.4 94 105 A R H 3<5S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.7 48.8 -56.2 -34.6 16.7 -18.8 -8.9 95 106 A Q T 3<5S- 0 0 77 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.401 115.9-113.7 -87.9 3.4 15.2 -18.8 -5.4 96 107 A G T < 5S+ 0 0 0 -3,-1.5 32,-2.6 -4,-0.3 -3,-0.2 0.794 87.0 116.7 67.7 27.9 12.9 -21.7 -6.0 97 108 A L S - 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