==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-11 3SK8 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 31 24.0 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 . 7 5.4 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 . 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 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 0 0 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 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 98 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 154.0 -13.0 -23.1 8.2 2 8 A H - 0 0 126 62,-0.3 62,-0.5 63,-0.1 2,-0.3 -0.988 360.0-123.3-135.8 151.5 -14.4 -19.9 6.6 3 9 A K - 0 0 91 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.702 24.5-167.6 -89.5 141.4 -13.1 -17.3 4.2 4 10 A E E -A 62 0A 27 58,-2.4 58,-2.6 -2,-0.3 2,-0.0 -0.955 27.0-105.6-125.9 150.3 -13.0 -13.6 5.2 5 11 A P E +A 61 0A 109 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.332 42.5 168.1 -75.1 151.5 -12.4 -10.6 2.8 6 12 A A E -A 60 0A 14 54,-1.9 54,-0.8 15,-0.1 2,-0.4 -0.926 26.5-129.8-150.0 171.3 -9.1 -8.8 2.9 7 13 A T E -B 20 0A 93 13,-1.8 13,-3.2 -2,-0.3 2,-0.2 -0.995 25.9-114.3-129.4 134.6 -7.3 -6.2 0.7 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.503 33.6 170.2 -65.6 135.7 -3.8 -6.4 -0.6 9 15 A I E - 0 0 79 9,-3.0 2,-0.3 1,-0.3 10,-0.2 0.752 69.1 -26.9-104.5 -51.3 -1.5 -3.8 0.8 10 16 A K E -B 18 0A 127 8,-2.1 8,-3.3 44,-0.0 2,-0.4 -0.953 51.9-124.3-166.6 139.3 1.7 -5.3 -0.5 11 17 A A E -B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.712 26.9-178.1 -81.9 138.2 3.2 -8.6 -1.5 12 18 A I - 0 0 80 4,-1.9 2,-0.2 -2,-0.4 5,-0.2 0.882 53.5 -37.0-105.8 -59.4 6.4 -9.2 0.4 13 19 A D S S- 0 0 19 3,-2.1 3,-0.4 33,-0.1 -1,-0.4 -0.754 82.2 -58.9-145.8-157.7 8.0 -12.5 -0.8 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 29,-0.2 23,-0.1 0.849 131.7 18.1 -61.7 -29.3 6.9 -15.9 -1.9 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.8 1,-0.1 2,-0.4 0.327 113.9 69.8-130.8 12.4 5.1 -16.8 1.3 16 22 A T E + C 0 29A 11 -3,-0.4 -3,-2.1 13,-0.2 -4,-1.9 -0.999 50.7 170.4-130.4 143.7 4.4 -13.5 3.1 17 23 A V E -BC 11 28A 1 11,-2.1 11,-3.6 -2,-0.4 2,-0.5 -0.983 30.4-126.4-150.7 153.3 2.0 -10.7 2.2 18 24 A K E +BC 10 27A 67 -8,-3.3 -9,-3.0 -2,-0.3 -8,-2.1 -0.864 36.5 176.8-108.0 117.8 0.7 -7.6 3.9 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.6 -2,-0.5 2,-0.7 -0.948 36.8-123.1-121.5 153.2 -3.0 -7.4 3.9 20 26 A M E +BC 7 25A 72 -13,-3.2 -13,-1.8 -2,-0.3 2,-0.5 -0.854 41.1 178.1 -89.6 118.7 -5.7 -5.0 5.3 21 27 A Y E > - C 0 24A 26 3,-3.0 3,-1.6 -2,-0.7 -15,-0.1 -0.994 64.0 -12.7-131.8 124.1 -7.7 -7.4 7.5 22 28 A K T 3 S- 0 0 156 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.895 130.0 -52.9 46.8 48.6 -10.6 -6.1 9.5 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 0.537 122.6 95.2 74.0 7.0 -9.6 -2.5 8.9 24 30 A Q E < S-C 21 0A 140 -3,-1.6 -3,-3.0 -5,-0.0 2,-0.2 -0.990 76.6-115.1-129.3 142.0 -6.0 -3.1 10.2 25 31 A P E +C 20 0A 83 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.488 42.2 170.8 -72.9 143.4 -2.8 -3.8 8.3 26 32 A M E -C 19 0A 42 -7,-2.6 -7,-2.9 -2,-0.2 2,-0.5 -0.996 33.6-124.2-152.0 142.6 -1.3 -7.2 9.1 27 33 A T E -C 18 0A 30 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.773 28.5-158.6 -86.4 129.4 1.4 -9.4 7.8 28 34 A F E -Cd 17 76A 0 -11,-3.6 -11,-2.1 -2,-0.5 2,-0.5 -0.920 7.8-157.2-111.3 136.4 0.2 -12.9 6.8 29 35 A R E -Cd 16 77A 38 47,-3.3 49,-1.5 -2,-0.4 -13,-0.2 -0.965 30.3-116.5-104.3 128.0 2.5 -16.0 6.5 30 36 A L E > - d 0 78A 2 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.457 32.6-116.9 -69.0 131.1 1.0 -18.7 4.2 31 37 A L T 3 S+ 0 0 8 47,-1.8 49,-0.1 1,-0.2 -1,-0.1 -0.364 83.6 1.9 -65.5 145.9 0.2 -21.9 6.1 32 38 A L T 3 S+ 0 0 8 69,-0.3 68,-1.5 1,-0.1 2,-0.3 0.513 105.6 95.7 62.2 20.6 2.0 -25.1 5.2 33 39 A V E < -H 99 0B 1 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.960 50.0-162.7-139.1 150.5 4.3 -23.9 2.5 34 40 A D E -H 98 0B 71 64,-2.3 64,-2.2 -2,-0.3 3,-0.1 -0.925 10.0-167.8-131.0 110.1 7.9 -22.7 2.5 35 41 A T - 0 0 9 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.584 38.8 -92.4 -85.9 154.5 9.1 -20.7 -0.5 36 42 A P - 0 0 17 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.406 48.5-101.2 -58.8 147.6 12.9 -20.1 -0.9 37 43 A E > - 0 0 106 1,-0.1 3,-2.9 -24,-0.1 6,-0.2 -0.410 40.8-101.2 -66.7 152.5 14.1 -16.9 0.7 38 50 A F T 3 S+ 0 0 109 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.798 123.2 53.2 -51.7 -33.1 14.6 -14.2 -1.9 39 51 A N T 3 S+ 0 0 158 4,-0.1 -1,-0.3 3,-0.1 2,-0.3 0.266 98.9 82.7 -91.9 20.9 18.4 -14.7 -1.9 40 52 A E S X S- 0 0 106 -3,-2.9 3,-2.3 1,-0.1 2,-0.0 -0.742 98.8 -74.6-111.3 165.4 18.0 -18.5 -2.5 41 53 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.341 122.4 11.4 -61.3 135.4 17.5 -20.3 -5.8 42 54 A Y T 3> S+ 0 0 39 -4,-0.1 4,-2.1 -7,-0.1 -1,-0.3 0.379 96.5 117.2 67.5 2.4 13.8 -19.9 -7.0 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.3 -6,-0.2 -29,-0.2 0.937 76.7 41.7 -62.4 -49.5 13.4 -17.2 -4.4 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.871 114.6 51.6 -64.2 -38.8 12.8 -14.4 -6.9 45 57 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.841 111.3 47.2 -67.0 -39.7 10.5 -16.6 -9.0 46 58 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.920 113.8 48.9 -68.6 -39.9 8.4 -17.6 -5.9 47 59 A S H X S+ 0 0 16 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.898 113.3 46.1 -61.2 -41.1 8.3 -13.9 -4.9 48 60 A A H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.906 111.1 53.5 -74.1 -38.0 7.2 -12.9 -8.4 49 61 A F H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 113.1 40.9 -61.2 -55.3 4.6 -15.7 -8.6 50 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.924 114.1 54.1 -61.8 -42.8 2.9 -14.8 -5.4 51 63 A K H X S+ 0 0 97 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.908 110.8 44.7 -58.3 -46.5 3.1 -11.0 -6.1 52 64 A K H X S+ 0 0 143 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.972 112.3 53.1 -67.3 -40.7 1.4 -11.4 -9.6 53 65 A M H < S+ 0 0 38 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.890 117.3 35.8 -60.6 -44.5 -1.3 -13.8 -8.1 54 66 A V H < S+ 0 0 2 -4,-2.4 3,-0.4 2,-0.2 -1,-0.2 0.864 117.2 50.3 -80.3 -38.9 -2.3 -11.3 -5.4 55 67 A E H < S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.824 112.8 47.8 -62.6 -35.0 -1.9 -8.1 -7.2 56 68 A N S < S+ 0 0 112 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.593 89.7 107.6 -87.0 -7.3 -3.9 -9.4 -10.2 57 69 A A - 0 0 21 -4,-0.4 3,-0.1 -3,-0.4 -3,-0.0 -0.383 57.3-156.3 -72.0 144.7 -6.8 -10.7 -8.0 58 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.817 87.4 24.6 -81.8 -30.2 -10.1 -8.8 -7.9 59 71 A K - 0 0 149 -52,-0.1 24,-2.6 -3,-0.0 2,-0.4 -0.993 67.4-164.2-139.6 126.9 -10.8 -10.3 -4.5 60 72 A I E -AE 6 82A 10 -54,-0.8 -54,-1.9 -2,-0.4 2,-0.4 -0.928 12.3-173.6-108.9 143.1 -8.4 -11.6 -1.8 61 73 A E E -AE 5 81A 56 20,-2.0 20,-2.8 -2,-0.4 2,-0.4 -0.983 12.0-149.8-133.2 150.0 -9.7 -13.8 1.0 62 74 A V E -AE 4 80A 0 -58,-2.6 -58,-2.4 -2,-0.4 2,-0.4 -0.918 8.3-169.4-114.2 144.4 -8.0 -15.1 4.1 63 75 A E E - E 0 79A 16 16,-2.6 16,-2.7 -2,-0.4 -60,-0.2 -0.926 10.6-150.5-137.9 108.6 -8.9 -18.3 5.8 64 76 A F E - E 0 78A 23 -62,-0.5 -62,-0.3 -2,-0.4 14,-0.2 -0.403 16.2-132.9 -70.0 156.7 -7.6 -19.2 9.2 65 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.190 32.0 -93.6 -96.9-164.8 -7.1 -22.9 10.1 66 78 A K S S+ 0 0 125 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.494 100.9 68.2 -94.9 -2.4 -8.2 -24.5 13.4 67 79 A G S S- 0 0 14 1,-0.2 38,-0.2 36,-0.1 37,-0.1 -0.037 104.8 -28.9 -98.4-159.3 -4.9 -24.1 15.1 68 80 A Q - 0 0 99 36,-1.7 -1,-0.2 1,-0.1 -3,-0.2 -0.292 53.6-154.8 -55.5 130.9 -2.8 -21.1 16.4 69 81 A R S S+ 0 0 133 -3,-0.1 8,-2.4 1,-0.1 2,-0.4 0.550 70.4 37.0 -95.0 -12.6 -3.7 -18.1 14.3 70 82 A T B S-F 76 0A 74 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.991 73.5-132.6-136.7 147.6 -0.6 -16.0 14.7 71 83 A D > - 0 0 20 4,-2.5 3,-1.8 -2,-0.4 -2,-0.0 -0.326 41.9 -90.4 -85.5-178.2 3.1 -16.9 15.0 72 84 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.658 125.3 59.1 -69.3 -9.8 5.5 -15.5 17.6 73 85 A Y T 3 S- 0 0 158 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.271 120.2-104.3-101.2 6.2 6.4 -12.6 15.2 74 86 A G S < S+ 0 0 50 -3,-1.8 2,-0.4 1,-0.3 -47,-0.3 0.591 73.9 142.1 87.8 6.0 2.8 -11.3 15.0 75 87 A R - 0 0 68 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.754 54.2-120.4 -85.3 139.3 2.1 -12.7 11.5 76 88 A G E -dF 28 70A 0 -49,-2.5 -47,-3.3 -2,-0.4 2,-0.7 -0.413 22.2-142.8 -69.4 137.8 -1.4 -14.1 10.8 77 89 A L E +d 29 0A 9 -8,-2.4 -12,-0.6 -49,-0.2 2,-0.3 -0.923 44.9 131.2-111.9 106.8 -1.1 -17.8 9.7 78 90 A A E -dE 30 64A 0 -49,-1.5 -47,-1.8 -2,-0.7 2,-0.4 -0.971 61.4-102.7-148.9 166.5 -3.7 -18.5 7.0 79 91 A Y E - E 0 63A 5 -16,-2.7 -16,-2.6 -2,-0.3 2,-0.4 -0.738 41.6-152.3 -84.6 136.6 -4.6 -19.9 3.6 80 92 A I E - E 0 62A 1 -2,-0.4 7,-2.9 -18,-0.2 8,-0.7 -0.951 9.0-163.5-118.5 141.9 -4.9 -17.0 1.2 81 93 A Y E -GE 86 61A 26 -20,-2.8 -20,-2.0 -2,-0.4 2,-0.5 -0.919 9.5-160.8-128.0 141.7 -7.2 -17.0 -1.9 82 94 A A E > S-GE 85 60A 6 3,-2.3 3,-1.9 -2,-0.4 -22,-0.2 -0.976 84.7 -19.8-123.8 120.1 -7.1 -14.8 -5.0 83 95 A D T 3 S- 0 0 69 -24,-2.6 -23,-0.1 -2,-0.5 -1,-0.1 0.872 130.6 -49.7 42.9 46.4 -10.4 -14.9 -6.9 84 96 A G T 3 S+ 0 0 40 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.382 115.8 115.3 84.5 -1.0 -11.3 -18.2 -5.2 85 97 A K E < -G 82 0A 147 -3,-1.9 -3,-2.3 4,-0.0 2,-0.3 -0.864 68.2-122.7-106.1 126.3 -7.9 -19.9 -6.0 86 98 A G E > -G 81 0A 21 -2,-0.5 4,-2.0 -5,-0.2 -5,-0.3 -0.450 12.1-158.8 -70.1 130.9 -5.6 -20.8 -3.1 87 99 A V H > S+ 0 0 1 -7,-2.9 4,-2.5 -2,-0.3 5,-0.3 0.896 91.1 60.8 -70.5 -38.8 -2.1 -19.2 -3.3 88 100 A N H > S+ 0 0 5 -8,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.952 109.7 38.0 -54.7 -60.5 -0.7 -21.9 -1.0 89 101 A E H > S+ 0 0 78 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.898 113.0 59.2 -58.5 -40.0 -1.6 -24.8 -3.3 90 102 A A H X S+ 0 0 26 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.906 107.2 45.5 -58.7 -42.5 -0.7 -22.8 -6.5 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-0.8 0.932 116.1 45.1 -66.6 -43.4 2.9 -22.2 -5.3 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.6 -5,-0.3 -2,-0.2 0.915 112.9 51.0 -66.3 -42.4 3.4 -25.8 -4.3 93 105 A R H 3<5S+ 0 0 84 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.1 52.7 -67.4 -27.0 1.8 -27.1 -7.5 94 106 A Q T 3<5S- 0 0 85 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.443 114.9-118.1 -83.1 -2.8 4.1 -24.8 -9.5 95 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.4 -4,-0.3 33,-0.2 0.778 86.0 115.9 67.1 26.3 7.2 -26.3 -7.7 96 108 A L S - 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0 0 46 -5,-2.2 3,-2.5 3,-0.2 -1,-0.2 -0.663 46.4 -52.6 -90.1 125.3 9.3 -28.5 -12.0 126 138 A N G > S+ 0 0 45 -2,-0.4 3,-2.7 1,-0.3 -30,-0.2 -0.216 137.9 25.1 55.5-108.3 11.4 -25.5 -10.7 127 139 A I G 3 S+ 0 0 40 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.863 126.5 54.1 -56.3 -33.5 12.6 -26.4 -7.2 128 140 A W G < 0 0 58 -3,-2.5 -1,-0.3 -33,-0.2 -2,-0.2 0.440 360.0 360.0 -84.4 3.8 12.3 -30.1 -8.3 129 141 A S < 0 0 96 -3,-2.7 -2,-0.2 -34,-0.2 -1,-0.2 0.871 360.0 360.0 -88.3 360.0 14.4 -29.6 -11.4