==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-07 2PW5 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SCHLESSMAN,C.ABE,E.B.GARCIA-MORENO . 130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 70.8 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 . 37 28.5 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 . 4 3.1 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.0 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 . 3 2.3 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 . 2 2 0 1 1 2 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 0 102 0, 0.0 2,-0.4 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0 148.9 1.2 -37.4 -21.7 2 8 A H - 0 0 124 64,-0.3 64,-0.5 65,-0.1 2,-0.3 -0.982 360.0-122.6-135.9 149.0 4.3 -38.8 -20.1 3 9 A K E -A 65 0A 89 -2,-0.4 62,-0.2 62,-0.2 79,-0.1 -0.687 24.2-169.3 -89.0 137.7 6.9 -37.5 -17.7 4 10 A E E -A 64 0A 31 60,-2.4 60,-2.9 -2,-0.3 2,-0.0 -0.953 26.3-106.5-124.7 144.9 10.6 -37.4 -18.6 5 11 A P E +A 63 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.304 39.2 171.1 -70.9 152.7 13.6 -36.6 -16.3 6 12 A A E -AB 62 21A 11 56,-1.7 56,-0.7 15,-0.1 2,-0.4 -0.952 24.4-130.2-151.5 164.9 15.5 -33.4 -16.4 7 13 A T E - B 0 20A 96 13,-1.9 13,-2.9 -2,-0.3 2,-0.1 -0.984 26.9-111.5-127.2 133.5 18.1 -31.7 -14.3 8 14 A L E + B 0 19A 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.355 37.9 164.3 -61.2 133.4 18.1 -28.2 -12.9 9 15 A I E - 0 0 76 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.662 68.6 -18.7-111.0 -56.5 20.6 -25.8 -14.5 10 16 A K E - B 0 18A 128 8,-1.8 8,-3.2 46,-0.0 2,-0.4 -0.952 50.2-132.4-160.3 132.5 19.2 -22.5 -13.3 11 17 A A E + B 0 17A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.668 25.9 178.2 -78.4 133.5 16.0 -20.9 -12.1 12 18 A I E - 0 0 51 4,-1.5 2,-0.3 1,-0.5 5,-0.2 0.800 52.9 -53.7-106.4 -46.4 15.3 -17.8 -14.1 13 19 A D E > S- B 0 16A 8 3,-2.0 3,-0.8 1,-0.1 -1,-0.5 -0.951 73.6 -53.9-173.9-171.9 12.0 -16.5 -12.7 14 20 A G T 3 S+ 0 0 1 22,-0.3 23,-0.1 -2,-0.3 -1,-0.1 0.902 130.4 27.2 -47.3 -51.2 8.5 -17.4 -12.0 15 21 A D T 3 S+ 0 0 7 21,-0.1 15,-2.3 20,-0.1 2,-0.4 0.475 116.8 58.6 -97.0 3.8 7.5 -18.6 -15.5 16 22 A T E < +BC 13 29A 10 -3,-0.8 -3,-2.0 13,-0.2 -4,-1.5 -0.987 49.9 170.3-141.1 140.2 10.9 -19.8 -16.8 17 23 A V E -BC 11 28A 0 11,-1.9 11,-3.3 -2,-0.4 2,-0.5 -0.995 27.8-130.7-146.9 145.6 13.6 -22.3 -15.8 18 24 A K E +BC 10 27A 85 -8,-3.2 -9,-2.5 -2,-0.3 -8,-1.8 -0.883 35.4 172.3-101.2 127.0 16.7 -23.7 -17.5 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.3 -2,-0.5 2,-0.7 -0.920 38.5-120.0-132.6 156.6 17.0 -27.5 -17.4 20 26 A M E -BC 7 25A 75 -13,-2.9 -13,-1.9 -2,-0.3 2,-0.5 -0.887 40.2-178.2 -95.7 118.7 19.2 -30.2 -18.9 21 27 A Y E > -BC 6 24A 17 3,-2.7 3,-1.9 -2,-0.7 -15,-0.1 -0.988 62.8 -19.1-127.3 123.8 16.7 -32.3 -20.9 22 28 A K T 3 S- 0 0 139 -17,-0.5 -1,-0.2 -2,-0.5 -16,-0.1 0.902 131.7 -44.7 46.0 49.0 17.9 -35.4 -22.8 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.158 121.6 80.6 89.6 -20.9 21.5 -34.3 -22.7 24 30 A Q E < S-C 21 0A 78 -3,-1.9 -3,-2.7 -5,-0.0 2,-0.1 -0.913 79.1-103.9-126.4 155.0 21.3 -30.6 -23.6 25 31 A P E +C 20 0A 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.442 44.0 173.5 -69.4 140.6 20.4 -27.3 -21.9 26 32 A M E -C 19 0A 38 -7,-2.3 -7,-2.7 -2,-0.1 2,-0.5 -0.993 30.6-128.9-150.8 144.9 17.0 -25.9 -22.7 27 33 A T E -C 18 0A 39 -2,-0.3 51,-2.7 49,-0.3 2,-0.4 -0.839 27.7-159.4 -96.9 129.3 14.9 -23.0 -21.5 28 34 A F E -Cd 17 78A 0 -11,-3.3 -11,-1.9 -2,-0.5 2,-0.5 -0.899 10.6-155.0-112.4 142.5 11.4 -24.0 -20.5 29 35 A R E -Cd 16 79A 37 49,-3.4 51,-1.4 -2,-0.4 -13,-0.2 -0.969 31.2-116.9-111.5 122.0 8.3 -21.8 -20.2 30 36 A L E > - d 0 80A 1 -15,-2.3 3,-0.9 -2,-0.5 51,-0.2 -0.400 32.6-118.9 -61.3 126.4 5.7 -23.1 -17.8 31 37 A L T 3 S+ 0 0 8 49,-2.3 51,-0.1 1,-0.2 -1,-0.1 -0.357 83.6 4.2 -67.2 146.4 2.4 -23.9 -19.6 32 38 A L T 3 S+ 0 0 10 71,-0.2 70,-1.6 1,-0.1 2,-0.4 0.578 102.8 104.2 57.3 18.0 -0.9 -22.1 -18.6 33 39 A V E < -H 101 0B 0 -3,-0.9 2,-0.5 68,-0.3 68,-0.2 -0.977 46.7-166.8-130.7 147.3 0.5 -19.7 -16.1 34 40 A D E -H 100 0B 79 66,-2.1 66,-2.2 -2,-0.4 -3,-0.0 -0.985 17.0-173.7-126.1 114.2 1.3 -16.0 -16.1 35 41 A T - 0 0 8 -2,-0.5 64,-0.2 64,-0.2 -20,-0.1 -0.763 37.1 -93.1-106.7 156.6 3.4 -14.9 -13.1 36 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.448 50.8-122.0 -64.9 142.1 4.3 -11.3 -12.3 37 43 A E - 0 0 82 1,-0.1 5,-3.0 -2,-0.1 8,-0.3 -0.560 22.2-164.8 -90.3 152.6 7.6 -10.5 -13.9 38 44 A T 0 0 36 3,-0.2 -1,-0.1 7,-0.2 -25,-0.0 0.648 360.0 360.0-100.0 -25.3 10.8 -9.4 -12.1 39 45 A K 0 0 185 2,-0.1 -1,-0.1 6,-0.1 -2,-0.1 0.117 360.0 360.0 -86.8 360.0 12.3 -8.3 -15.4 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 51 A V 0 0 132 0, 0.0 -3,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 112.1 9.7 -5.6 -11.2 42 52 A E > - 0 0 108 -5,-3.0 3,-1.6 1,-0.1 2,-0.1 -0.218 360.0 -81.4 -70.4 162.3 6.0 -6.4 -10.9 43 53 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 86,-0.0 -0.407 117.5 8.4 -63.7 135.8 4.1 -6.9 -7.6 44 54 A Y T 3> S+ 0 0 43 -3,-0.1 4,-2.8 -2,-0.1 -1,-0.3 0.386 96.4 117.5 69.4 -1.5 4.6 -10.5 -6.3 45 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.2 -8,-0.3 -31,-0.3 0.956 76.0 43.9 -61.3 -51.3 7.2 -11.1 -9.1 46 56 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.876 113.8 52.2 -65.7 -29.8 10.1 -11.7 -6.6 47 57 A E H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.943 109.6 48.5 -67.3 -46.0 7.8 -13.9 -4.5 48 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.913 114.5 45.4 -59.6 -42.8 6.8 -16.1 -7.5 49 59 A S H X S+ 0 0 24 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.887 113.4 49.0 -72.1 -34.0 10.4 -16.5 -8.6 50 60 A A H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.894 109.6 54.3 -68.3 -39.2 11.6 -17.2 -5.1 51 61 A F H X S+ 0 0 55 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.954 113.3 39.9 -59.6 -51.8 8.8 -19.8 -4.7 52 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.893 111.4 57.7 -69.2 -35.6 9.8 -21.7 -7.8 53 63 A K H X S+ 0 0 94 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.941 108.0 48.0 -56.9 -48.4 13.6 -21.4 -7.1 54 64 A K H X S+ 0 0 135 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.919 111.7 49.7 -58.1 -46.6 13.0 -23.1 -3.8 55 65 A M H < S+ 0 0 37 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.908 115.1 43.6 -61.0 -43.2 10.9 -25.9 -5.3 56 66 A Y H >< S+ 0 0 3 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.918 115.4 46.1 -68.6 -47.4 13.5 -26.5 -8.0 57 67 A E H 3< S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.2 45.8 -68.7 -32.7 16.6 -26.4 -5.8 58 68 A N T 3< S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 0.417 90.3 108.9 -92.7 3.6 15.4 -28.6 -3.0 59 69 A A < - 0 0 22 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.526 54.7-157.5 -84.5 148.3 13.9 -31.3 -5.2 60 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.797 86.0 27.0 -85.9 -36.1 15.3 -34.8 -5.5 61 71 A K - 0 0 142 -54,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.995 62.6-170.4-134.1 134.2 13.7 -35.3 -8.9 62 72 A I E -AE 6 84A 14 -56,-0.7 -56,-1.7 -2,-0.4 2,-0.4 -0.958 13.7-178.3-119.7 137.4 12.5 -32.8 -11.6 63 73 A E E -AE 5 83A 54 20,-2.2 20,-3.0 -2,-0.4 2,-0.4 -0.985 14.4-147.9-137.4 149.8 10.4 -34.0 -14.5 64 74 A V E -AE 4 82A 0 -60,-2.9 -60,-2.4 -2,-0.4 2,-0.5 -0.920 6.4-165.2-119.4 144.1 9.0 -32.4 -17.5 65 75 A E E -AE 3 81A 12 16,-2.7 16,-2.6 -2,-0.4 2,-0.2 -0.963 8.0-154.0-131.5 113.0 5.8 -33.2 -19.2 66 76 A F E - E 0 80A 26 -64,-0.5 -64,-0.3 -2,-0.5 14,-0.2 -0.550 17.4-133.1 -80.4 153.8 5.0 -31.9 -22.7 67 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.276 29.2 -96.1 -94.4-170.4 1.4 -31.4 -23.7 68 78 A K S S+ 0 0 122 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.535 100.0 67.5 -88.8 -4.1 -0.2 -32.6 -26.9 69 79 A G S S- 0 0 18 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.045 105.6 -29.2 -95.0-155.6 0.1 -29.2 -28.8 70 80 A Q - 0 0 102 36,-1.3 -1,-0.3 1,-0.1 -3,-0.2 -0.371 53.4-155.0 -62.0 137.1 3.1 -27.2 -30.0 71 81 A R + 0 0 130 -3,-0.1 8,-2.4 1,-0.1 2,-0.3 0.505 69.2 39.0 -97.9 -5.4 6.1 -27.9 -27.9 72 82 A T B S-F 78 0A 73 6,-0.3 6,-0.2 -44,-0.1 2,-0.1 -0.990 71.3-136.1-140.8 147.2 8.2 -24.8 -28.3 73 83 A D > - 0 0 22 4,-2.0 3,-1.7 -2,-0.3 -2,-0.0 -0.288 43.8 -86.2 -90.1-175.4 7.2 -21.1 -28.5 74 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.756 126.5 58.3 -65.9 -22.2 8.7 -18.6 -31.0 75 85 A Y T 3 S- 0 0 178 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.289 120.7-105.1 -89.3 8.6 11.6 -17.8 -28.7 76 86 A G S < S+ 0 0 50 -3,-1.7 -49,-0.3 1,-0.3 2,-0.3 0.593 72.0 144.8 80.7 9.5 12.7 -21.4 -28.7 77 87 A R - 0 0 65 -51,-0.1 -4,-2.0 -49,-0.1 -1,-0.3 -0.628 52.2-118.2 -84.2 142.2 11.5 -22.2 -25.2 78 88 A G E -dF 28 72A 0 -51,-2.7 -49,-3.4 -2,-0.3 2,-0.7 -0.542 23.4-140.9 -73.4 140.3 10.0 -25.6 -24.4 79 89 A L E +d 29 0A 10 -8,-2.4 -12,-0.6 -2,-0.2 2,-0.3 -0.905 44.3 128.3-108.5 112.7 6.4 -25.5 -23.3 80 90 A A E -dE 30 66A 0 -51,-1.4 -49,-2.3 -2,-0.7 2,-0.4 -0.944 61.4-104.0-156.1 172.4 5.6 -27.9 -20.4 81 91 A Y E - 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