==== 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 19-APR-12 4EQO . 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) . 7310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 30 23.3 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 . 9 7.0 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 1 2 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 65 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 159.8 -28.8 -16.3 -8.0 2 8 A H - 0 0 153 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.968 360.0-130.6-130.0 139.8 -28.0 -19.8 -6.7 3 9 A K - 0 0 92 -2,-0.4 60,-0.2 60,-0.1 77,-0.1 -0.667 27.4-171.7 -86.5 137.8 -27.0 -21.2 -3.3 4 10 A E E -A 62 0A 43 58,-2.8 58,-2.9 -2,-0.4 2,-0.0 -0.938 26.0 -98.2-126.3 154.6 -23.9 -23.5 -3.3 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.263 43.6 157.8 -72.0 151.0 -22.5 -25.6 -0.6 6 12 A A E -A 60 0A 12 54,-1.5 54,-0.7 15,-0.1 2,-0.3 -0.945 26.8-137.8-155.1 166.1 -19.6 -24.7 1.7 7 13 A T E -D 20 0B 82 13,-1.6 13,-3.4 -2,-0.3 2,-0.2 -0.977 29.6-102.3-128.0 150.3 -18.4 -25.8 5.1 8 14 A L E +D 19 0B 53 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.445 34.9 170.7 -66.3 132.2 -17.1 -23.6 8.0 9 15 A I E - 0 0 69 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.772 69.7 -33.4 -99.2 -51.6 -13.3 -23.5 8.5 10 16 A K E -D 18 0B 107 8,-2.0 8,-3.0 0, 0.0 -1,-0.2 -0.928 53.9-111.4-168.0 142.2 -13.3 -20.7 11.0 11 17 A A E +D 17 0B 25 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.428 31.5 175.5 -62.8 146.9 -15.1 -17.5 12.0 12 18 A I - 0 0 70 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.620 52.5 -42.6-118.1 -66.9 -13.0 -14.4 11.5 13 19 A D S S- 0 0 21 3,-2.0 3,-0.5 33,-0.1 -1,-0.5 -0.719 76.0 -61.3-152.2-163.3 -15.0 -11.2 12.3 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.849 131.2 19.9 -60.3 -35.4 -18.4 -9.7 11.8 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.246 116.1 64.2-122.3 11.5 -18.2 -9.6 8.0 16 22 A T E + E 0 29B 10 -3,-0.5 -3,-2.0 13,-0.2 -4,-1.2 -0.996 51.3 170.2-134.4 146.5 -15.5 -12.2 7.0 17 23 A V E -DE 11 28B 1 11,-1.9 11,-3.0 -2,-0.3 2,-0.6 -0.994 32.1-123.7-150.8 145.2 -15.4 -15.9 7.5 18 24 A K E +DE 10 27B 66 -8,-3.0 -9,-2.7 -2,-0.3 -8,-2.0 -0.844 40.3 169.3 -94.9 122.1 -13.1 -18.7 6.3 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.6 -2,-0.6 2,-0.7 -0.929 38.6-120.0-126.8 156.5 -15.1 -21.4 4.4 20 26 A M E -DE 7 25B 81 -13,-3.4 -13,-1.6 -2,-0.3 2,-0.4 -0.879 36.7-179.4 -96.3 121.0 -14.2 -24.4 2.3 21 27 A Y E > - E 0 24B 17 3,-2.6 3,-1.9 -2,-0.7 -15,-0.1 -0.991 69.0 -9.2-128.6 128.1 -15.8 -23.8 -1.1 22 28 A K T 3 S- 0 0 151 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.867 131.2 -57.9 43.0 43.6 -15.4 -26.4 -3.9 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.528 117.5 106.5 74.7 9.5 -13.0 -28.1 -1.7 24 30 A Q E < S-E 21 0B 126 -3,-1.9 -3,-2.6 -5,-0.0 2,-0.3 -0.940 71.5-116.3-122.8 138.3 -10.5 -25.1 -1.3 25 31 A P E +E 20 0B 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.562 44.1 164.9 -71.5 134.0 -10.1 -22.9 1.7 26 32 A M E -E 19 0B 41 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.5 -0.997 37.9-123.9-148.9 150.0 -11.1 -19.3 1.2 27 33 A T E -E 18 0B 47 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.829 29.3-154.6 -90.1 130.1 -11.9 -16.2 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.0 -11,-1.9 -2,-0.5 2,-0.5 -0.875 6.0-157.1-101.9 133.0 -15.3 -14.7 2.3 29 35 A R E -Ef 16 77B 22 47,-3.6 49,-1.4 -2,-0.4 -13,-0.2 -0.954 30.6-115.3-108.4 129.8 -16.2 -11.1 2.7 30 36 A L E > - f 0 78B 1 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.423 31.9-118.9 -68.5 128.5 -20.0 -10.5 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.4 49,-0.1 1,-0.2 -1,-0.1 -0.389 85.1 7.7 -64.4 147.2 -21.5 -8.5 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.463 108.1 91.8 69.0 12.5 -23.2 -5.2 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.908 50.7-160.3-132.6 168.3 -22.3 -4.7 4.5 34 40 A D E -H 98 0C 54 64,-1.8 64,-2.1 -2,-0.3 3,-0.0 -0.929 10.0-169.7-145.5 115.1 -19.7 -3.2 6.8 35 41 A T - 0 0 2 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.733 37.6 -96.7 -91.3 154.5 -19.4 -4.4 10.3 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.278 47.6 -99.5 -61.9 149.7 -17.1 -2.4 12.7 37 43 A E > - 0 0 92 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.342 37.6-103.5 -68.4 160.2 -13.6 -3.8 13.1 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.858 123.7 57.4 -54.6 -34.8 -13.1 -5.9 16.2 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.472 99.9 74.6 -74.9 -2.6 -11.3 -2.9 17.8 40 52 A E S X S- 0 0 97 -3,-2.4 3,-2.1 1,-0.1 2,-0.0 -0.619 99.0 -70.5-110.7 166.4 -14.3 -0.6 17.3 41 53 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.336 122.3 9.5 -57.6 135.3 -17.6 -0.1 19.1 42 54 A Y T 3> S+ 0 0 48 -4,-0.1 4,-2.8 -7,-0.1 -1,-0.3 0.399 98.5 113.7 65.5 0.2 -20.0 -3.1 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 -6,-0.2 -5,-0.2 0.954 76.5 44.7 -65.7 -52.0 -17.0 -4.9 16.7 44 56 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.893 114.7 49.9 -56.1 -41.3 -16.9 -7.6 19.2 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 111.4 48.2 -66.2 -42.1 -20.8 -8.0 19.1 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.922 113.0 48.4 -57.5 -49.3 -20.7 -8.2 15.3 47 59 A S H X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.940 113.2 48.1 -57.2 -47.8 -17.9 -10.8 15.4 48 60 A A H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.853 109.6 53.0 -57.2 -39.2 -19.9 -12.7 18.0 49 61 A F H X S+ 0 0 53 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 113.5 40.8 -70.4 -48.3 -23.1 -12.6 16.0 50 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.912 113.3 55.1 -64.7 -41.8 -21.5 -14.0 12.9 51 63 A K H X S+ 0 0 98 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.941 110.5 46.1 -56.8 -48.4 -19.5 -16.6 14.8 52 64 A K H X S+ 0 0 139 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.925 111.7 51.2 -62.5 -42.4 -22.6 -17.9 16.4 53 65 A M H X S+ 0 0 25 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.933 117.8 36.7 -61.0 -47.1 -24.6 -18.0 13.2 54 66 A V H < S+ 0 0 3 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.860 116.8 50.0 -80.3 -37.7 -21.9 -20.0 11.3 55 67 A E H < S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.794 114.5 45.1 -70.8 -29.7 -20.7 -22.3 14.1 56 68 A N H < S+ 0 0 112 -4,-1.9 -1,-0.2 -5,-0.3 2,-0.2 0.572 90.5 110.3 -86.2 -16.6 -24.3 -23.3 15.0 57 69 A A < - 0 0 21 -4,-0.7 3,-0.2 -3,-0.2 -49,-0.1 -0.433 51.8-163.0 -63.8 134.3 -25.4 -23.9 11.3 58 70 A K S S+ 0 0 176 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.834 87.0 27.6 -78.4 -30.0 -26.0 -27.4 10.2 59 71 A K - 0 0 96 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.977 68.0-168.3-139.2 119.9 -25.7 -26.1 6.5 60 72 A I E -AB 6 82A 13 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.4 -0.879 12.1-173.5-101.0 139.4 -23.7 -23.1 5.3 61 73 A E E -AB 5 81A 29 20,-1.9 20,-3.0 -2,-0.4 2,-0.4 -0.972 13.6-149.3-132.6 149.1 -24.3 -21.9 1.7 62 74 A V E -AB 4 80A 0 -58,-2.9 -58,-2.8 -2,-0.4 2,-0.5 -0.938 9.0-167.8-115.7 138.6 -22.6 -19.3 -0.4 63 75 A E E - B 0 79A 12 16,-2.5 16,-3.1 -2,-0.4 2,-0.2 -0.947 7.9-155.2-128.7 115.6 -24.4 -17.3 -3.0 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.504 13.3-135.2 -83.3 157.9 -22.5 -15.2 -5.5 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.082 35.9 -85.5 -96.2-163.2 -24.0 -12.3 -7.2 66 78 A K S S+ 0 0 168 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.563 104.1 47.7 -83.3 -11.1 -23.8 -11.4 -10.9 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.179 105.2 -5.2-114.4-143.8 -20.5 -9.5 -10.8 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.285 47.4-165.5 -63.5 139.3 -17.1 -10.0 -9.4 69 81 A R S S+ 0 0 122 1,-0.2 8,-2.2 -3,-0.1 2,-0.3 0.512 73.5 37.7-102.5 -13.9 -16.7 -13.1 -7.2 70 82 A T B S-G 76 0B 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.989 75.3-138.9-133.5 148.9 -13.4 -12.2 -5.6 71 83 A D > - 0 0 24 4,-2.3 3,-2.0 -2,-0.3 -2,-0.1 -0.289 42.5 -83.0 -95.6-173.2 -12.1 -8.8 -4.5 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.600 129.4 54.7 -67.4 -12.1 -8.6 -7.3 -4.8 73 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.379 120.5-106.7 -98.6 0.2 -7.5 -9.2 -1.7 74 86 A G S < S+ 0 0 52 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.583 71.6 147.2 81.4 8.2 -8.6 -12.6 -3.1 75 87 A R - 0 0 67 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.639 53.6-115.1 -73.7 136.2 -11.6 -12.7 -0.8 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-3.6 -2,-0.3 2,-0.6 -0.422 24.7-144.5 -64.1 141.5 -14.7 -14.4 -2.0 77 89 A L E +f 29 0B 19 -8,-2.2 -12,-0.4 -49,-0.2 2,-0.3 -0.956 43.3 128.5-112.3 110.3 -17.6 -11.9 -2.3 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.5 -0.969 63.1-103.6-152.6 166.4 -20.9 -13.6 -1.5 79 91 A Y E -B 63 0A 0 -16,-3.1 -16,-2.5 -2,-0.3 2,-0.5 -0.864 43.5-149.7 -90.9 132.3 -24.1 -13.7 0.4 80 92 A I E -B 62 0A 1 -2,-0.5 7,-2.8 -18,-0.2 8,-0.5 -0.928 10.3-163.1-114.2 128.5 -23.6 -16.3 3.2 81 93 A Y E -BC 61 86A 16 -20,-3.0 -20,-1.9 -2,-0.5 2,-0.5 -0.864 10.0-162.1-112.3 137.8 -26.5 -18.3 4.6 82 94 A A E > S-BC 60 85A 9 3,-3.0 3,-2.0 -2,-0.4 -22,-0.2 -0.977 84.6 -25.0-117.3 113.7 -26.7 -20.3 7.8 83 95 A D T 3 S- 0 0 83 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.902 130.4 -46.2 45.2 50.0 -29.6 -22.9 7.7 84 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.354 115.6 114.0 84.3 -8.7 -31.4 -20.7 5.2 85 97 A K E < -C 82 0A 122 -3,-2.0 -3,-3.0 -32,-0.1 2,-0.6 -0.877 65.4-129.7-101.4 131.0 -30.9 -17.4 7.0 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.622 9.8-158.4 -81.2 121.1 -28.7 -14.8 5.3 87 99 A D H > S+ 0 0 2 -7,-2.8 4,-3.0 -2,-0.6 5,-0.3 0.872 91.2 60.1 -61.4 -39.7 -26.0 -13.4 7.7 88 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.947 112.7 37.5 -53.9 -52.4 -25.6 -10.2 5.6 89 101 A E H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 115.0 54.7 -68.5 -40.5 -29.2 -9.3 6.1 90 102 A A H X S+ 0 0 10 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.901 106.5 49.7 -62.4 -43.7 -29.3 -10.5 9.7 91 103 A L H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 6,-0.7 0.942 114.4 46.4 -62.1 -44.3 -26.3 -8.4 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.0 -5,-0.3 -2,-0.2 0.939 109.1 53.4 -63.0 -42.7 -28.0 -5.3 9.2 93 105 A R H 3<5S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 110.2 50.1 -66.2 -27.6 -31.4 -6.0 10.7 94 106 A Q T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.387 114.9-114.1 -85.6 -0.3 -29.7 -6.2 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.3 -4,-0.2 -3,-0.2 0.736 87.4 115.7 69.7 26.2 -27.8 -2.9 13.8 96 108 A L S - 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