==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-10 3OWF . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SCHLESSMAN,V.KHANGULOV,A.HEROUX,B.GARCIA-MORENO E. . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 14.8 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 . 1 0.7 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-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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 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 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 0 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 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 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 88 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 144.1 -15.1 -50.6 11.1 2 2 A T G > + 0 0 132 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.860 360.0 67.5 -62.9 -29.1 -15.0 -47.5 8.7 3 3 A S G 3 S+ 0 0 82 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.657 95.6 54.6 -63.8 -18.5 -13.5 -45.4 11.5 4 4 A T G < S+ 0 0 97 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.456 90.5 75.6-101.3 7.4 -10.2 -47.3 11.4 5 5 A K < + 0 0 141 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.532 65.9 113.5 -96.6 -6.9 -9.6 -46.8 7.7 6 6 A K - 0 0 157 -3,-0.4 2,-0.1 -4,-0.2 -3,-0.0 -0.317 60.1-134.1 -65.7 147.2 -8.5 -43.1 7.9 7 7 A L - 0 0 163 -2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.455 12.3-135.3 -95.9 175.4 -4.9 -42.4 7.0 8 8 A H - 0 0 162 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.993 8.3-131.1-140.1 139.1 -2.4 -40.1 8.8 9 9 A K - 0 0 213 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.667 24.1-167.8 -89.6 139.9 0.1 -37.5 7.6 10 10 A E - 0 0 171 -2,-0.3 2,-0.0 1,-0.0 -2,-0.0 -0.919 26.7 -93.4-126.3 159.8 3.7 -37.5 8.8 11 11 A P + 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.296 42.7 166.9 -72.0 152.2 6.5 -35.0 8.7 12 12 A A - 0 0 90 -2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.959 13.2-159.3-149.5 164.9 9.1 -35.0 5.9 13 13 A T - 0 0 137 -2,-0.3 2,-0.1 3,-0.0 3,-0.1 -0.906 30.0 -86.5-141.3 168.4 11.7 -32.5 4.8 14 14 A L - 0 0 154 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.394 54.6 -95.6 -65.8 153.6 13.8 -31.7 1.7 15 15 A I - 0 0 162 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.442 56.3 -84.0 -68.2 143.3 17.1 -33.5 1.3 16 16 A K - 0 0 143 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.244 47.3-118.4 -52.2 132.8 20.1 -31.6 2.7 17 17 A A - 0 0 46 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.432 32.6-106.5 -73.3 148.0 21.4 -29.0 0.1 18 18 A I - 0 0 70 1,-0.2 39,-0.1 35,-0.1 4,-0.1 -0.320 53.1 -69.5 -70.3 159.2 25.0 -29.6 -0.9 19 19 A D > - 0 0 31 1,-0.1 3,-1.9 2,-0.1 -1,-0.2 -0.126 45.8-118.0 -51.6 146.1 27.7 -27.2 0.3 20 20 A G T 3 S+ 0 0 1 29,-0.4 -1,-0.1 22,-0.3 77,-0.1 0.701 110.3 61.7 -64.8 -18.1 27.5 -23.7 -1.1 21 21 A D T 3 S+ 0 0 6 21,-0.2 15,-2.7 20,-0.1 2,-0.3 0.163 100.2 66.1 -95.0 17.3 30.9 -23.9 -2.9 22 22 A T E < -A 35 0A 14 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.992 58.6-177.9-133.5 150.9 29.7 -26.8 -5.0 23 23 A V E -A 34 0A 5 11,-2.3 11,-3.0 -2,-0.3 2,-0.5 -0.993 20.5-137.9-148.0 134.2 27.1 -27.0 -7.7 24 24 A K E +A 33 0A 125 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.828 36.5 159.2 -90.3 131.2 25.8 -29.9 -9.8 25 25 A L E -A 32 0A 29 7,-2.3 7,-2.7 -2,-0.5 2,-0.5 -0.939 44.9-113.8-148.1 157.6 25.3 -29.1 -13.5 26 26 A M E -A 31 0A 129 -2,-0.3 2,-0.4 5,-0.3 3,-0.1 -0.891 38.3-177.9 -92.1 122.8 25.0 -30.8 -16.9 27 27 A Y E > -A 30 0A 53 3,-2.8 3,-2.0 -2,-0.5 -2,-0.0 -0.994 65.5 -22.8-131.3 119.3 28.1 -29.7 -19.0 28 28 A K T 3 S- 0 0 180 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.906 131.9 -42.2 44.9 54.5 28.5 -30.9 -22.6 29 29 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.433 120.2 106.1 81.4 -0.9 26.2 -33.9 -22.1 30 30 A Q E < -A 27 0A 120 -3,-2.0 -3,-2.8 2,-0.0 2,-0.2 -0.947 61.5-143.5-121.1 120.2 27.7 -34.8 -18.6 31 31 A P E +A 26 0A 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.596 41.6 158.0 -68.9 135.2 26.1 -34.3 -15.2 32 32 A M E -A 25 0A 55 -7,-2.7 -7,-2.3 -2,-0.2 2,-0.5 -0.990 44.4-111.9-154.5 166.0 29.0 -33.5 -12.9 33 33 A T E -A 24 0A 48 -2,-0.3 49,-2.7 -9,-0.2 2,-0.5 -0.873 29.8-157.0 -99.4 125.8 29.8 -31.8 -9.6 34 34 A F E -Ab 23 82A 0 -11,-3.0 -11,-2.3 -2,-0.5 2,-0.5 -0.919 4.8-151.8-100.5 135.0 31.7 -28.5 -9.9 35 35 A R E -Ab 22 83A 19 47,-3.6 49,-1.4 -2,-0.5 2,-0.3 -0.919 30.1-116.3-100.7 126.4 33.8 -27.2 -7.0 36 36 A L E > - b 0 84A 1 -15,-2.7 3,-1.0 -2,-0.5 49,-0.2 -0.485 31.3-116.7 -72.5 124.8 34.0 -23.4 -7.2 37 37 A L T 3 S+ 0 0 8 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.369 84.9 4.8 -58.9 145.5 37.5 -22.1 -7.7 38 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.498 108.6 91.8 65.6 14.8 39.3 -19.9 -5.1 39 39 A V E < -D 105 0B 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.913 51.0-160.1-136.0 162.4 36.6 -20.1 -2.4 40 40 A D E -D 104 0B 55 64,-2.0 64,-2.0 -2,-0.3 -3,-0.0 -0.879 5.2-165.7-143.6 119.9 35.5 -22.1 0.7 41 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.583 37.9 -97.7 -89.7 152.5 32.1 -22.1 2.2 42 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.2 -0.272 44.3 -93.0 -62.7 161.7 31.8 -23.6 5.7 43 43 A E > - 0 0 88 1,-0.1 3,-2.2 -24,-0.1 6,-0.3 -0.269 41.2-100.3 -66.0 162.8 30.7 -27.2 6.3 44 50 A F T 3 S+ 0 0 96 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.824 124.6 48.7 -52.9 -35.2 27.0 -27.9 6.9 45 51 A N T 3 S+ 0 0 117 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.344 99.3 85.5 -96.3 11.8 27.6 -28.2 10.6 46 52 A E S X S- 0 0 103 -3,-2.2 3,-2.0 1,-0.1 2,-0.1 -0.691 95.5 -80.2-109.0 155.4 29.5 -24.9 10.8 47 53 A K T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.404 118.6 11.5 -52.6 135.3 28.2 -21.3 11.2 48 54 A Y T 3> S+ 0 0 39 -4,-0.1 4,-2.5 -7,-0.1 -1,-0.3 0.332 95.3 113.5 75.3 -3.1 27.1 -20.0 7.8 49 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.3 -29,-0.4 0.968 81.5 38.6 -63.8 -50.1 27.3 -23.4 6.2 50 56 A P H > S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.917 115.7 53.3 -70.9 -34.8 23.5 -23.8 5.6 51 57 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.908 109.8 48.3 -64.3 -40.6 23.2 -20.1 4.7 52 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.925 111.9 49.6 -63.5 -41.6 25.9 -20.4 2.0 53 59 A S H X S+ 0 0 9 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.924 112.3 48.3 -62.6 -45.9 24.3 -23.6 0.7 54 60 A A H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.896 109.9 53.0 -58.6 -41.7 20.9 -21.8 0.5 55 61 A F H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.910 111.1 44.0 -61.9 -50.9 22.5 -18.8 -1.2 56 62 A T H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.882 113.0 52.4 -62.9 -38.8 24.1 -20.8 -4.0 57 63 A K H X S+ 0 0 90 -4,-2.1 4,-3.1 -5,-0.3 5,-0.2 0.945 109.5 50.2 -63.2 -42.4 20.9 -22.8 -4.5 58 64 A K H X S+ 0 0 139 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 111.8 47.3 -61.0 -46.2 19.0 -19.6 -4.8 59 65 A M H X S+ 0 0 29 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.907 116.1 43.7 -61.2 -43.0 21.4 -18.2 -7.4 60 66 A R H < S+ 0 0 91 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.908 114.5 49.9 -69.1 -42.3 21.3 -21.5 -9.4 61 67 A E H < S+ 0 0 108 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.820 114.0 43.3 -70.5 -31.3 17.5 -21.9 -9.2 62 68 A N H < S+ 0 0 114 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.650 87.5 113.6 -89.5 -14.3 16.7 -18.3 -10.3 63 69 A A < - 0 0 22 -4,-0.9 3,-0.2 -3,-0.3 -3,-0.0 -0.260 49.6-162.8 -65.1 132.4 19.2 -18.1 -13.2 64 70 A K S S+ 0 0 196 1,-0.3 2,-0.4 -2,-0.0 -1,-0.2 0.865 86.6 22.1 -75.4 -36.4 17.9 -17.8 -16.7 65 71 A K - 0 0 111 -3,-0.0 24,-3.3 2,-0.0 2,-0.4 -0.994 67.0-164.2-134.7 134.1 21.4 -18.8 -17.9 66 72 A I E -E 88 0C 59 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.941 11.6-174.6-112.3 136.7 24.2 -20.7 -16.2 67 73 A E E -E 87 0C 96 20,-2.1 20,-3.1 -2,-0.4 2,-0.4 -0.949 14.3-148.5-130.0 150.9 27.8 -20.6 -17.5 68 74 A V E -E 86 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.940 10.4-168.7-113.8 139.9 31.0 -22.4 -16.5 69 75 A E E -E 85 0C 75 16,-2.3 16,-2.8 -2,-0.4 2,-0.2 -0.959 7.8-156.4-134.5 110.2 34.4 -20.8 -16.9 70 76 A F - 0 0 39 -2,-0.5 14,-0.2 14,-0.2 5,-0.1 -0.557 15.2-129.4 -77.3 157.8 37.5 -23.0 -16.5 71 77 A D - 0 0 19 12,-0.5 41,-0.2 3,-0.3 -1,-0.1 -0.100 35.6 -89.7 -91.6-168.2 40.8 -21.3 -15.6 72 78 A K S S+ 0 0 189 39,-0.6 40,-0.2 -2,-0.0 3,-0.1 0.606 104.4 52.2 -82.5 -12.6 44.1 -22.0 -17.4 73 79 A G S S- 0 0 30 38,-0.7 38,-0.1 1,-0.3 39,-0.1 0.159 104.1 -7.2-102.1-137.6 45.2 -24.9 -15.3 74 80 A Q - 0 0 143 1,-0.1 -3,-0.3 -4,-0.0 -1,-0.3 -0.213 47.2-154.3 -65.5 138.5 43.7 -28.2 -14.1 75 81 A R S S+ 0 0 125 -3,-0.1 8,-2.2 -5,-0.1 2,-0.3 0.472 77.3 37.5 -90.4 -7.2 40.0 -28.8 -14.9 76 82 A T B S-C 82 0A 64 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.974 74.3-130.0-141.2 156.3 39.4 -31.2 -12.0 77 83 A D > - 0 0 25 4,-2.4 3,-2.2 -2,-0.3 -2,-0.0 -0.420 44.0 -88.5 -97.1-176.2 40.5 -31.5 -8.4 78 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.547 126.5 58.4 -74.2 -4.4 41.9 -34.6 -6.7 79 85 A Y T 3 S- 0 0 174 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.266 119.8-106.8-100.3 4.7 38.3 -35.6 -5.8 80 86 A G S < S+ 0 0 59 -3,-2.2 2,-0.3 1,-0.3 -47,-0.2 0.539 74.5 138.5 82.2 7.9 37.2 -35.7 -9.4 81 87 A R - 0 0 74 -49,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.640 59.4-108.6 -82.7 149.3 35.1 -32.5 -9.2 82 88 A G E -bC 34 76A 0 -49,-2.7 -47,-3.6 -2,-0.3 2,-0.6 -0.379 27.5-141.8 -71.9 144.6 35.2 -29.9 -12.0 83 89 A L E +b 35 0A 24 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.948 43.4 128.9-112.4 114.9 37.1 -26.7 -11.0 84 90 A A E -b 36 0A 0 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.959 61.0-107.2-153.8 164.1 35.4 -23.6 -12.4 85 91 A Y E -E 69 0C 2 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.4 -0.879 42.4-149.7 -88.0 132.2 34.0 -20.1 -11.9 86 92 A I E -E 68 0C 3 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.898 10.0-161.5-112.1 133.2 30.2 -20.5 -12.2 87 93 A Y E -EF 67 92C 37 -20,-3.1 -20,-2.1 -2,-0.4 2,-0.5 -0.948 10.1-162.6-118.0 142.2 28.1 -17.6 -13.5 88 94 A A E > S-EF 66 91C 8 3,-3.0 3,-1.9 -2,-0.4 -22,-0.2 -0.981 84.9 -23.9-124.3 114.9 24.3 -17.1 -13.1 89 95 A D T 3 S- 0 0 71 -24,-3.3 -1,-0.2 -2,-0.5 -23,-0.1 0.900 129.6 -48.7 38.5 53.9 23.0 -14.6 -15.6 90 96 A G T 3 S+ 0 0 52 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.363 115.4 117.0 81.7 -4.8 26.5 -13.1 -15.9 91 97 A K E < -F 88 0C 119 -3,-1.9 -3,-3.0 4,-0.0 2,-0.3 -0.872 67.1-126.4-100.0 123.6 27.0 -12.8 -12.1 92 98 A M E > -F 87 0C 5 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.531 11.3-157.0 -74.7 122.3 29.9 -15.0 -10.7 93 99 A V H > S+ 0 0 6 -7,-3.2 4,-2.2 -2,-0.3 5,-0.2 0.904 93.7 56.1 -60.9 -45.9 28.6 -17.3 -7.9 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.948 111.7 43.2 -55.7 -47.6 32.2 -17.6 -6.5 95 101 A E H > S+ 0 0 64 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.904 111.8 53.1 -65.1 -41.9 32.4 -13.7 -6.2 96 102 A A H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.860 107.4 51.4 -60.9 -43.8 28.9 -13.2 -4.8 97 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 6,-0.8 0.932 115.0 42.9 -58.6 -48.4 29.5 -15.8 -2.0 98 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.917 110.8 55.5 -65.7 -42.6 32.7 -14.0 -1.0 99 105 A R H 3<5S+ 0 0 72 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.1 46.9 -59.7 -32.0 31.1 -10.5 -1.4 100 106 A Q T 3<5S- 0 0 75 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.326 115.4-112.7 -89.5 3.2 28.3 -11.6 1.1 101 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.7 2,-0.2 -3,-0.2 0.804 87.0 117.4 67.6 29.6 30.8 -13.0 3.7 102 108 A L S - 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