==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-05 2F3W . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.LIU,T.XIE,Y.FENG,L.SHAN,K.YE,J.WANG . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 10.9 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 . 20 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.5 13.0 22.2 -19.7 2 2 A T - 0 0 133 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.997 360.0-152.9-136.2 132.8 13.9 18.5 -19.1 3 3 A S - 0 0 113 -2,-0.4 2,-0.5 2,-0.0 0, 0.0 -0.742 18.6-122.0-104.0 152.2 13.3 16.3 -16.0 4 4 A T - 0 0 114 -2,-0.3 2,-0.6 74,-0.1 -2,-0.0 -0.797 20.2-165.7 -96.2 130.4 15.4 13.4 -14.8 5 5 A K + 0 0 191 -2,-0.5 2,-0.4 2,-0.0 73,-0.1 -0.888 21.4 155.4-119.7 101.0 13.6 10.0 -14.5 6 6 A K - 0 0 112 -2,-0.6 71,-2.1 71,-0.1 2,-0.5 -0.970 24.5-158.2-127.7 141.3 15.6 7.4 -12.5 7 7 A L - 0 0 98 -2,-0.4 2,-0.6 69,-0.3 68,-0.1 -0.967 4.9-167.2-123.4 119.7 14.4 4.4 -10.6 8 8 A H - 0 0 104 -2,-0.5 68,-0.9 66,-0.0 2,-0.8 -0.915 18.2-136.9-108.9 121.3 16.5 2.8 -7.8 9 9 A K E +A 75 0A 128 -2,-0.6 66,-0.2 66,-0.2 -2,-0.0 -0.657 33.3 168.1 -79.4 110.9 15.5 -0.7 -6.5 10 10 A E E -A 74 0A 53 64,-1.1 64,-2.9 -2,-0.8 2,-0.1 -0.988 41.8-104.7-127.9 130.6 15.8 -0.7 -2.7 11 11 A P E +A 73 0A 112 0, 0.0 2,-0.3 0, 0.0 62,-0.3 -0.303 48.6 164.0 -54.9 120.3 14.4 -3.3 -0.4 12 12 A A + 0 0 2 60,-1.9 2,-0.4 -2,-0.1 81,-0.2 -0.874 4.3 167.0-145.7 107.7 11.3 -2.0 1.3 13 13 A T - 0 0 43 13,-0.5 13,-0.3 -2,-0.3 53,-0.1 -0.960 36.7-110.6-125.3 141.6 8.8 -4.2 3.1 14 14 A L - 0 0 16 -2,-0.4 11,-0.2 11,-0.2 3,-0.2 -0.367 14.5-152.5 -67.0 144.0 5.9 -3.3 5.5 15 15 A I S S- 0 0 124 9,-0.9 -1,-0.1 1,-0.2 2,-0.1 0.765 85.3 -3.6 -87.2 -28.9 6.3 -4.3 9.2 16 16 A K - 0 0 146 8,-0.7 2,-0.7 51,-0.0 8,-0.4 -0.559 67.6-173.2-167.9 94.2 2.6 -4.6 9.8 17 17 A A + 0 0 6 -3,-0.2 6,-0.2 6,-0.2 3,-0.1 -0.842 7.7 179.3 -98.6 115.5 -0.0 -3.8 7.2 18 18 A I - 0 0 55 4,-1.9 2,-3.3 -2,-0.7 5,-0.2 0.808 10.8-176.6 -80.6 -31.9 -3.6 -3.9 8.4 19 19 A D S S+ 0 0 43 3,-0.6 -1,-0.2 1,-0.2 4,-0.1 -0.327 74.6 67.6 68.2 -65.7 -5.0 -2.9 5.0 20 20 A G S S+ 0 0 29 -2,-3.3 -1,-0.2 -3,-0.1 3,-0.1 0.743 125.9 6.5 -55.4 -23.2 -8.6 -2.8 6.4 21 21 A D S S- 0 0 95 1,-0.3 2,-0.3 16,-0.0 -1,-0.1 0.606 127.4 -26.8-121.4 -77.7 -7.4 0.2 8.4 22 22 A T - 0 0 48 14,-0.1 -4,-1.9 15,-0.1 -3,-0.6 -0.971 47.3-151.2-146.1 159.1 -3.9 1.6 7.8 23 23 A V - 0 0 15 12,-0.6 11,-1.4 -2,-0.3 2,-0.4 -0.975 3.8-161.2-134.9 148.1 -0.6 0.4 6.5 24 24 A K E -B 33 0B 93 -8,-0.4 -9,-0.9 -2,-0.3 -8,-0.7 -0.995 7.8-151.8-133.1 132.5 3.0 1.5 7.1 25 25 A L E -B 32 0B 8 7,-3.6 7,-1.0 -2,-0.4 2,-0.7 -0.612 15.4-128.9 -99.1 160.6 6.2 0.8 5.1 26 26 A M E +B 31 0B 107 -13,-0.3 2,-0.5 -2,-0.2 -13,-0.5 -0.844 38.6 158.1-113.0 95.0 9.8 0.5 6.2 27 27 A Y E > S-B 30 0B 39 3,-1.6 3,-3.0 -2,-0.7 -15,-0.1 -0.932 77.4 -33.1-122.6 109.1 12.0 2.7 4.1 28 28 A K T 3 S- 0 0 142 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.791 119.0 -57.7 54.1 29.1 15.4 3.8 5.6 29 29 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.398 108.6 132.0 83.8 -4.1 13.7 3.8 9.0 30 30 A Q E < -B 27 0B 70 -3,-3.0 2,-1.8 1,-0.1 -3,-1.6 -0.704 61.8-128.2 -85.9 127.8 11.1 6.3 7.7 31 31 A P E -B 26 0B 64 0, 0.0 2,-0.8 0, 0.0 -5,-0.2 -0.529 33.7-179.7 -76.7 83.3 7.4 5.4 8.5 32 32 A M E -B 25 0B 5 -2,-1.8 -7,-3.6 -7,-1.0 2,-0.2 -0.767 11.1-156.7 -89.6 111.4 5.9 5.7 5.0 33 33 A T E -B 24 0B 16 -2,-0.8 2,-0.5 54,-0.5 -9,-0.2 -0.519 7.2-143.9 -86.6 155.0 2.2 5.0 5.1 34 34 A F - 0 0 33 -11,-1.4 -11,-0.2 1,-0.4 55,-0.2 -0.869 67.9 -27.4-123.6 97.5 0.2 3.8 2.1 35 35 A R - 0 0 98 53,-0.6 -12,-0.6 -2,-0.5 -1,-0.4 0.721 69.8-147.6 67.5 122.5 -3.4 5.2 2.0 36 36 A L - 0 0 58 -14,-0.1 2,-0.6 -3,-0.1 -14,-0.1 -0.663 40.8 -59.8-115.8 172.1 -5.1 6.1 5.3 37 37 A L - 0 0 123 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.328 63.2-153.1 -54.7 101.0 -8.7 6.1 6.6 38 38 A L - 0 0 132 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 0.187 37.3 -52.0 -62.8-169.5 -10.3 8.4 4.1 39 39 A V - 0 0 128 1,-0.1 2,-0.5 0, 0.0 -1,-0.2 -0.293 65.0 -96.9 -68.0 153.6 -13.4 10.5 4.9 40 40 A D - 0 0 104 -3,-0.1 -1,-0.1 1,-0.0 -3,-0.0 -0.609 34.9-153.0 -76.3 120.5 -16.5 8.8 6.3 41 41 A T >> - 0 0 60 -2,-0.5 4,-2.2 1,-0.1 3,-1.1 -0.844 11.3-170.0 -98.9 110.6 -19.0 7.9 3.6 42 42 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.769 91.7 41.6 -67.8 -25.7 -22.6 7.8 4.9 43 43 A E T 34 S+ 0 0 175 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.295 125.0 31.8-116.7 46.5 -23.8 6.3 1.6 44 44 A T T <4 S+ 0 0 76 -3,-1.1 2,-1.0 1,-0.1 6,-0.1 0.269 80.4 103.4-162.0 -45.1 -20.9 3.9 1.0 45 45 A K < + 0 0 146 -4,-2.2 -1,-0.1 4,-0.1 6,-0.1 -0.374 52.3 175.7 -58.4 96.2 -19.6 2.6 4.2 46 46 A H > - 0 0 101 -2,-1.0 4,-2.1 1,-0.1 -3,-0.0 -0.824 36.1-141.0-108.4 146.7 -21.1 -0.9 4.2 47 47 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.822 101.4 54.9 -72.4 -32.1 -20.6 -3.7 6.8 48 48 A K T 4 S+ 0 0 166 1,-0.1 5,-0.1 2,-0.1 3,-0.1 0.970 126.1 19.4 -65.5 -55.8 -20.6 -6.4 4.1 49 49 A K T >4 S- 0 0 87 1,-0.1 2,-2.4 3,-0.1 3,-0.6 0.822 83.4-169.5 -83.7 -34.7 -17.8 -4.9 2.0 50 50 A G T 3< S+ 0 0 33 -4,-2.1 -1,-0.1 1,-0.3 5,-0.1 -0.211 78.5 3.8 74.0 -49.8 -16.4 -2.7 4.7 51 51 A V T 3 S- 0 0 73 -2,-2.4 -1,-0.3 57,-0.1 -2,-0.1 0.608 138.5 -22.5-128.3 -63.6 -14.3 -0.8 2.3 52 52 A E S < S- 0 0 99 -3,-0.6 -2,-0.2 56,-0.1 56,-0.1 0.700 122.6 -24.0-118.6 -66.0 -14.7 -1.7 -1.4 53 53 A K S S- 0 0 111 55,-0.9 56,-0.2 -4,-0.4 -3,-0.1 0.704 132.4 -10.5-120.3 -53.9 -16.1 -5.2 -2.0 54 54 A Y S S- 0 0 135 54,-0.5 55,-0.1 -5,-0.2 54,-0.1 0.584 75.5-154.2-124.7 -25.4 -15.5 -7.5 1.0 55 55 A G S > S+ 0 0 3 53,-0.3 4,-1.5 1,-0.2 3,-0.3 -0.742 83.6 43.1 88.2-107.2 -13.0 -5.6 3.2 56 56 A P H > S+ 0 0 100 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.763 107.7 69.2 -44.9 -28.3 -11.0 -8.0 5.3 57 57 A E H >> S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.988 102.0 38.0 -55.5 -70.4 -10.7 -10.1 2.2 58 58 A A H 3> S+ 0 0 3 -3,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.790 117.0 57.4 -52.4 -27.9 -8.4 -7.8 0.2 59 59 A S H 3X S+ 0 0 9 -4,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.917 103.6 49.8 -70.0 -44.9 -6.7 -7.1 3.5 60 60 A A H S+ 0 0 124 -4,-1.0 5,-4.2 -3,-0.5 4,-0.5 0.775 104.0 68.1 -91.5 -31.9 0.5 -12.0 3.3 65 65 A M H <5S+ 0 0 38 -4,-1.1 6,-0.4 1,-0.2 -2,-0.2 0.637 117.9 25.7 -62.0 -13.7 2.0 -9.8 0.6 66 66 A V H <5S+ 0 0 10 -4,-0.8 -2,-0.2 4,-0.1 -1,-0.2 0.698 125.7 44.4-117.2 -41.0 3.7 -8.0 3.5 67 67 A E T <5S+ 0 0 154 -4,-1.4 3,-0.3 -5,-0.3 -3,-0.2 0.995 136.9 5.4 -70.3 -67.5 4.0 -10.5 6.3 68 68 A N T 5S+ 0 0 109 -4,-0.5 2,-2.2 -5,-0.2 -3,-0.2 0.891 127.5 62.0 -84.9 -45.1 5.2 -13.6 4.5 69 69 A A < + 0 0 14 -5,-4.2 2,-1.8 1,-0.1 -1,-0.2 -0.374 63.9 158.1 -80.7 60.7 5.6 -12.1 1.0 70 70 A K + 0 0 143 -2,-2.2 -1,-0.1 -3,-0.3 -4,-0.1 -0.366 34.5 109.6 -83.8 58.4 8.3 -9.8 2.2 71 71 A K + 0 0 112 -2,-1.8 24,-1.4 -6,-0.4 25,-0.8 -0.084 42.9 129.6-122.3 31.7 9.8 -9.3 -1.3 72 72 A I + 0 0 6 22,-0.3 -60,-1.9 23,-0.1 2,-0.3 -0.589 30.7 179.4 -89.3 151.1 8.7 -5.7 -1.8 73 73 A E E -A 11 0A 43 -62,-0.3 20,-1.1 -2,-0.2 2,-0.8 -0.960 33.2-105.7-146.3 161.8 11.0 -2.9 -3.0 74 74 A V E -A 10 0A 5 -64,-2.9 -64,-1.1 -2,-0.3 2,-1.0 -0.816 27.4-172.8 -96.0 109.6 10.9 0.8 -3.9 75 75 A E E +A 9 0A 49 -2,-0.8 2,-0.2 -66,-0.2 -66,-0.2 -0.609 55.3 79.4-101.4 72.5 11.1 1.3 -7.7 76 76 A F + 0 0 21 -2,-1.0 -69,-0.3 -68,-0.9 3,-0.2 -0.676 39.6 178.2-177.4 118.0 11.4 5.1 -7.8 77 77 A D + 0 0 61 -71,-2.1 -70,-0.1 -2,-0.2 -71,-0.1 -0.061 44.8 124.7-114.0 30.3 14.3 7.5 -7.3 78 78 A K - 0 0 90 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.806 68.3-136.0 -59.1 -30.0 12.4 10.7 -8.1 79 79 A G + 0 0 58 1,-0.3 2,-0.4 -3,-0.2 -1,-0.1 -0.070 68.1 115.2 98.4 -33.7 13.6 12.0 -4.7 80 80 A Q + 0 0 86 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.578 32.4 170.9 -75.1 126.0 10.1 13.4 -3.8 81 81 A R + 0 0 119 -2,-0.4 2,-0.4 1,-0.3 8,-0.2 0.644 68.7 32.6-106.2 -23.7 8.6 11.6 -0.8 82 82 A T S S+ 0 0 75 4,-0.2 -1,-0.3 5,-0.1 0, 0.0 -0.997 74.2 89.8-140.2 133.6 5.6 13.9 -0.3 83 83 A D S S+ 0 0 132 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.086 83.6 55.0 174.8 -36.1 3.6 16.0 -2.7 84 84 A K S S- 0 0 132 5,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.971 136.6 -17.4 -80.2 -67.0 0.7 13.8 -3.8 85 85 A Y S S- 0 0 96 4,-0.1 -3,-0.1 -50,-0.0 -1,-0.0 0.465 103.7 -88.9-118.8 -10.7 -1.0 12.7 -0.6 86 86 A G S S- 0 0 39 3,-0.1 -4,-0.2 -5,-0.1 -5,-0.0 0.811 96.8 -29.8 102.4 40.6 1.8 13.5 1.9 87 87 A R S S+ 0 0 82 -6,-0.2 -54,-0.5 2,-0.1 -5,-0.1 0.712 110.5 112.5 89.6 26.1 3.8 10.3 1.9 88 88 A G + 0 0 0 -54,-0.1 -53,-0.6 1,-0.1 2,-0.6 0.568 60.2 71.3-103.0 -13.2 0.8 8.1 1.2 89 89 A L + 0 0 73 -8,-0.2 2,-0.4 -55,-0.2 -1,-0.1 -0.921 57.1 157.0-110.8 116.8 1.8 7.0 -2.3 90 90 A A - 0 0 3 -2,-0.6 2,-0.2 -3,-0.1 -9,-0.0 -0.990 44.6-111.9-142.2 130.7 4.7 4.5 -2.5 91 91 A Y - 0 0 79 -2,-0.4 2,-0.5 1,-0.1 -16,-0.2 -0.412 34.3-165.9 -62.0 122.0 5.7 2.0 -5.3 92 92 A I + 0 0 18 -2,-0.2 7,-0.8 -18,-0.1 2,-0.5 -0.942 16.1 171.6-118.1 114.1 5.2 -1.5 -4.0 93 93 A Y E > -C 98 0C 52 -20,-1.1 3,-0.8 -2,-0.5 2,-0.5 -0.711 10.9-175.3-121.8 79.6 6.7 -4.4 -5.9 94 94 A A E > S-C 97 0C 3 3,-0.8 3,-0.6 -2,-0.5 -22,-0.3 -0.633 74.0 -3.1 -79.5 124.5 6.3 -7.5 -3.8 95 95 A D T 3 S- 0 0 87 -24,-1.4 -1,-0.3 -2,-0.5 -23,-0.1 0.933 132.6 -56.3 61.8 47.9 7.9 -10.6 -5.3 96 96 A G T < S+ 0 0 60 -3,-0.8 2,-0.3 -25,-0.8 -1,-0.2 0.728 127.1 89.8 57.5 21.0 9.0 -8.7 -8.4 97 97 A K E < S-C 94 0C 147 -3,-0.6 -3,-0.8 -26,-0.2 2,-0.2 -0.987 80.3-106.9-146.6 153.9 5.3 -7.8 -8.9 98 98 A M E -C 93 0C 55 -2,-0.3 4,-0.2 -5,-0.3 -5,-0.2 -0.516 13.8-157.3 -81.3 148.4 2.9 -5.1 -7.9 99 99 A V S >>S+ 0 0 6 -7,-0.8 5,-1.0 -2,-0.2 4,-0.8 0.776 90.8 61.0 -93.2 -32.7 0.2 -5.8 -5.2 100 100 A N T 45S+ 0 0 53 -8,-0.3 5,-0.2 1,-0.2 8,-0.2 0.760 108.8 45.6 -65.5 -24.9 -2.2 -3.1 -6.3 101 101 A E T 45S+ 0 0 110 3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.649 103.4 68.8 -91.2 -18.9 -2.5 -4.8 -9.7 102 102 A A T 45S- 0 0 47 -3,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.985 130.9 -28.2 -62.7 -84.3 -2.9 -8.3 -8.2 103 103 A L T ><5S+ 0 0 18 -4,-0.8 3,-0.9 2,-0.1 5,-0.3 0.562 130.9 71.9-111.6 -16.0 -6.3 -8.3 -6.5 104 104 A V G >>