==== 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 2F3V . 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) . 8717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 43.6 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 . 7 6.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 18 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 4.5 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 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 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 158 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.5 8.3 9.8 -24.1 2 2 A T - 0 0 126 1,-0.0 2,-0.6 2,-0.0 0, 0.0 -0.731 360.0-139.2 -85.9 113.1 7.1 11.2 -20.7 3 3 A S - 0 0 122 -2,-0.7 2,-0.5 1,-0.0 -1,-0.0 -0.608 15.1-142.1 -75.3 114.1 9.4 10.0 -17.9 4 4 A T - 0 0 108 -2,-0.6 2,-0.8 1,-0.1 -1,-0.0 -0.657 15.0-125.7 -80.8 123.5 7.3 9.0 -14.9 5 5 A K - 0 0 204 -2,-0.5 2,-0.6 2,-0.0 -1,-0.1 -0.573 32.0-174.0 -72.3 107.1 9.0 10.0 -11.6 6 6 A K - 0 0 133 -2,-0.8 2,-0.6 70,-0.1 70,-0.1 -0.914 15.1-144.9-109.0 121.3 9.1 6.8 -9.5 7 7 A L - 0 0 66 -2,-0.6 2,-1.5 70,-0.1 -2,-0.0 -0.741 10.2-140.2 -87.8 120.3 10.3 7.0 -5.9 8 8 A H - 0 0 185 -2,-0.6 2,-0.2 68,-0.0 68,-0.1 -0.619 32.3-178.5 -81.4 88.8 12.3 4.0 -4.8 9 9 A K - 0 0 66 -2,-1.5 67,-0.0 66,-0.8 64,-0.0 -0.480 19.1-127.7 -88.1 159.5 10.9 3.6 -1.3 10 10 A E - 0 0 128 -2,-0.2 64,-1.1 1,-0.1 -1,-0.1 -0.591 28.9 -94.7-103.2 165.4 12.0 1.0 1.3 11 11 A P B -A 73 0A 69 0, 0.0 62,-0.2 0, 0.0 2,-0.1 -0.303 36.2-146.6 -77.6 163.1 9.9 -1.5 3.3 12 12 A A - 0 0 11 60,-0.7 2,-0.2 1,-0.1 15,-0.1 -0.377 12.0-106.7-115.6-165.4 8.6 -0.9 6.8 13 13 A T - 0 0 51 -2,-0.1 2,-0.7 11,-0.0 13,-0.2 -0.513 39.0 -82.8-116.4-174.9 7.9 -2.8 10.0 14 14 A L + 0 0 76 -2,-0.2 11,-0.1 1,-0.2 3,-0.1 -0.842 63.1 131.9 -98.3 113.9 4.8 -4.0 11.9 15 15 A I S S+ 0 0 80 -2,-0.7 2,-0.3 9,-0.6 -1,-0.2 0.635 71.6 13.2-125.2 -43.9 3.4 -1.4 14.2 16 16 A K - 0 0 83 8,-0.7 2,-0.5 2,-0.1 -1,-0.4 -0.999 57.6-159.9-142.1 141.5 -0.4 -1.3 13.6 17 17 A A + 0 0 37 -2,-0.3 2,-0.3 -3,-0.1 42,-0.1 -0.970 26.5 144.8-127.0 119.3 -2.8 -3.6 11.7 18 18 A I - 0 0 51 -2,-0.5 2,-2.5 40,-0.1 3,-0.3 -0.993 59.4 -94.7-150.6 152.9 -6.2 -2.4 10.5 19 19 A D S S- 0 0 42 -2,-0.3 -2,-0.0 1,-0.2 16,-0.0 -0.413 94.6 -54.9 -68.6 76.8 -8.5 -3.0 7.5 20 20 A G S S+ 0 0 15 -2,-2.5 -1,-0.2 14,-0.1 15,-0.1 0.964 116.8 99.7 48.5 74.0 -7.3 -0.1 5.5 21 21 A D S S- 0 0 46 -3,-0.3 2,-0.2 13,-0.2 64,-0.2 0.393 91.3 -12.6-147.8 -48.7 -7.8 2.7 8.1 22 22 A T + 0 0 16 12,-0.1 2,-0.5 63,-0.0 13,-0.1 -0.651 58.4 170.2-169.9 106.6 -4.5 3.5 9.8 23 23 A V - 0 0 2 11,-0.3 11,-2.1 64,-0.2 2,-0.4 -0.955 22.3-146.5-127.2 113.4 -1.3 1.6 9.7 24 24 A K E -B 33 0B 55 -2,-0.5 -8,-0.7 9,-0.3 -9,-0.6 -0.641 15.7-164.7 -81.4 127.5 1.9 3.0 11.1 25 25 A L E -B 32 0B 8 7,-2.7 7,-1.6 -2,-0.4 2,-1.1 -0.913 27.3-113.3-114.6 139.1 5.1 2.0 9.3 26 26 A M E +B 31 0B 86 -2,-0.4 2,-0.6 5,-0.2 -2,-0.0 -0.561 45.1 171.5 -72.9 99.4 8.6 2.5 10.6 27 27 A Y E > -B 30 0B 90 3,-3.3 3,-1.8 -2,-1.1 -15,-0.1 -0.943 69.6 -18.1-116.4 115.4 10.1 5.0 8.3 28 28 A K T 3 S- 0 0 163 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.764 128.7 -54.1 63.8 25.2 13.5 6.5 9.1 29 29 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.237 124.2 97.8 93.9 -14.0 13.0 5.3 12.6 30 30 A Q E < S-B 27 0B 129 -3,-1.8 -3,-3.3 -5,-0.1 -1,-0.2 -0.894 73.7-121.6-112.3 139.4 9.7 7.0 13.0 31 31 A P E -B 26 0B 58 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.552 28.6-174.6 -79.2 139.0 6.2 5.4 12.6 32 32 A M E -B 25 0B 96 -7,-1.6 -7,-2.7 -2,-0.2 2,-0.4 -0.990 21.5-129.9-139.3 128.2 3.8 6.9 10.0 33 33 A T E +B 24 0B 16 -2,-0.4 2,-0.4 -9,-0.3 -9,-0.3 -0.621 32.5 169.3 -79.3 127.8 0.2 5.9 9.3 34 34 A F + 0 0 35 -11,-2.1 2,-0.3 -2,-0.4 -11,-0.3 -0.994 10.0 172.2-141.3 130.9 -0.6 5.2 5.6 35 35 A R + 0 0 6 53,-0.7 56,-0.3 52,-0.6 2,-0.2 -0.748 21.9 132.7-143.3 96.3 -3.8 3.7 4.1 36 36 A L + 0 0 25 54,-1.9 2,-0.3 -2,-0.3 53,-0.0 -0.685 23.0 128.7-144.3 87.3 -4.3 3.6 0.3 37 37 A L + 0 0 12 -2,-0.2 64,-0.6 54,-0.2 2,-0.3 -0.831 15.8 139.3-145.7 103.9 -5.5 0.2 -1.0 38 38 A L + 0 0 93 -2,-0.3 2,-0.4 62,-0.1 64,-0.1 -0.880 10.9 156.0-149.9 113.0 -8.5 -0.1 -3.3 39 39 A V + 0 0 68 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.982 9.4 175.6-142.0 126.5 -8.8 -2.4 -6.3 40 40 A D + 0 0 55 -2,-0.4 9,-0.3 10,-0.1 12,-0.1 -0.859 27.3 126.1-135.2 100.3 -12.0 -3.8 -8.0 41 41 A T - 0 0 100 -2,-0.4 10,-0.1 8,-0.2 5,-0.0 -0.731 39.0-151.8-157.1 101.1 -11.6 -5.8 -11.2 42 42 A P - 0 0 34 0, 0.0 8,-0.1 0, 0.0 7,-0.1 -0.215 27.6-116.1 -70.4 163.1 -13.0 -9.4 -11.7 43 43 A E S S+ 0 0 202 4,-0.1 7,-0.0 3,-0.0 0, 0.0 0.662 83.9 108.9 -73.3 -16.2 -11.4 -11.9 -14.0 44 44 A T S S- 0 0 97 2,-0.1 4,-0.0 1,-0.1 0, 0.0 -0.224 86.5-109.3 -60.8 151.2 -14.7 -11.9 -16.0 45 45 A K S S+ 0 0 205 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.929 111.6 51.6 -45.4 -58.4 -14.6 -10.2 -19.5 46 46 A H S S- 0 0 143 2,-0.1 2,-0.8 1,-0.0 -1,-0.2 -0.747 91.2-135.9 -87.3 107.0 -16.7 -7.3 -18.3 47 47 A P + 0 0 77 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.489 35.9 164.5 -66.7 105.5 -15.1 -5.9 -15.1 48 48 A K - 0 0 116 -2,-0.8 -7,-0.1 1,-0.2 -4,-0.1 -0.857 64.5 -35.7-128.5 96.8 -18.0 -5.2 -12.8 49 49 A K S S- 0 0 143 -2,-0.5 -1,-0.2 -9,-0.3 -8,-0.2 0.925 72.2-143.2 55.2 98.8 -17.0 -4.7 -9.1 50 50 A G - 0 0 15 1,-0.2 -10,-0.1 -3,-0.1 2,-0.1 0.460 51.6 -25.8 -66.4-145.9 -14.0 -6.9 -8.3 51 51 A V - 0 0 89 -12,-0.2 -1,-0.2 -10,-0.1 -12,-0.2 -0.413 65.4-152.4 -71.1 144.4 -13.5 -8.7 -5.0 52 52 A E - 0 0 87 -3,-0.1 2,-1.1 -2,-0.1 51,-0.1 -0.458 44.7 -52.1-108.0-177.9 -15.0 -7.2 -1.9 53 53 A K - 0 0 76 50,-0.5 48,-0.1 49,-0.4 47,-0.1 -0.380 53.0-179.5 -58.9 95.6 -14.2 -7.3 1.8 54 54 A Y - 0 0 233 -2,-1.1 -1,-0.2 45,-0.4 47,-0.1 0.843 59.8 -48.6 -67.7 -34.0 -13.8 -11.0 2.3 55 55 A G > - 0 0 20 44,-0.1 3,-0.8 -3,-0.1 -1,-0.3 -0.935 48.7 -93.4 172.1 166.3 -13.0 -10.5 6.0 56 56 A P T > S+ 0 0 84 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.482 87.1 109.8 -76.3 -2.4 -11.0 -8.7 8.7 57 57 A E T >> + 0 0 130 1,-0.3 3,-2.6 2,-0.2 4,-1.3 0.756 58.3 81.8 -44.0 -28.0 -8.4 -11.5 8.5 58 58 A A H X> S+ 0 0 12 -3,-0.8 4,-1.0 1,-0.3 3,-0.9 0.895 81.7 60.0 -45.6 -49.1 -6.1 -9.0 6.9 59 59 A S H <4 S+ 0 0 47 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.728 105.4 50.8 -54.0 -22.1 -5.2 -7.6 10.3 60 60 A A H X> S+ 0 0 36 -3,-2.6 3,-2.6 -4,-0.4 4,-1.1 0.793 94.2 69.5 -86.0 -31.2 -3.9 -11.1 11.1 61 61 A F H <<>S+ 0 0 47 -4,-1.3 5,-1.0 -3,-0.9 8,-0.3 0.813 87.3 68.5 -55.6 -30.6 -1.8 -11.3 7.9 62 62 A T T 3<5S+ 0 0 12 -4,-1.0 -1,-0.3 3,-0.2 -2,-0.1 0.644 103.6 46.1 -63.7 -14.8 0.4 -8.6 9.5 63 63 A K T <>5S+ 0 0 151 -3,-2.6 4,-0.5 3,-0.1 -2,-0.2 0.920 135.3 1.8 -90.9 -68.4 1.4 -11.3 12.0 64 64 A K H >X>S+ 0 0 159 -4,-1.1 4,-3.2 2,-0.2 3,-0.6 0.906 134.7 49.9 -88.0 -51.5 2.2 -14.5 10.1 65 65 A M H 345S+ 0 0 54 -5,-0.4 30,-0.4 1,-0.2 -3,-0.2 0.658 109.0 57.4 -63.6 -14.0 1.7 -13.3 6.5 66 66 A W H 34 - 0 0 13 -2,-0.7 3,-3.5 3,-0.4 -23,-0.2 -0.938 68.8 -26.1-113.5 121.3 -0.5 -8.1 2.7 95 95 A D T 3 S- 0 0 17 -2,-0.5 -24,-0.3 -30,-0.4 -25,-0.2 0.874 114.7 -67.3 44.8 44.6 1.0 -11.4 1.7 96 96 A G T 3 S+ 0 0 40 -26,-3.9 2,-0.4 -27,-0.2 -1,-0.3 0.690 122.1 101.6 52.3 18.4 1.9 -9.8 -1.7 97 97 A K S < S- 0 0 139 -3,-3.5 -3,-0.4 -27,-0.4 2,-0.3 -0.971 76.1-125.6-137.6 120.9 -1.9 -9.7 -2.2 98 98 A M - 0 0 68 -2,-0.4 -5,-0.1 1,-0.2 -3,-0.0 -0.469 12.8-147.1 -65.8 121.6 -4.1 -6.7 -1.9 99 99 A V - 0 0 31 -7,-0.4 -45,-0.4 -2,-0.3 -1,-0.2 0.844 29.1-149.4 -57.4 -34.6 -7.0 -7.5 0.5 100 100 A N - 0 0 23 1,-0.2 2,-0.4 -47,-0.1 -46,-0.4 0.898 18.9-174.4 61.3 103.8 -9.2 -5.2 -1.5 101 101 A E + 0 0 36 -64,-0.6 2,-0.3 -48,-0.1 -1,-0.2 -0.969 20.0 132.0-135.1 118.8 -11.9 -3.6 0.7 102 102 A A - 0 0 37 1,-0.4 -49,-0.4 -2,-0.4 -64,-0.0 -0.908 55.7 -7.8-166.2 135.6 -14.7 -1.4 -0.6 103 103 A L S S- 0 0 125 -2,-0.3 -50,-0.5 1,-0.1 2,-0.5 0.271 72.4-100.7 59.7 165.3 -18.5 -1.1 -0.2 104 104 A V > > - 0 0 39 -52,-0.1 2,-2.8 -3,-0.1 5,-1.7 -0.878 69.0 -59.9-127.8 99.5 -20.6 -3.7 1.7 105 105 A R T 3 5S- 0 0 198 -2,-0.5 -53,-0.0 1,-0.2 -2,-0.0 -0.376 113.3 -38.6 66.8 -74.0 -22.5 -6.2 -0.4 106 106 A Q T 3 5S+ 0 0 154 -2,-2.8 -1,-0.2 4,-0.0 -2,-0.0 0.406 132.6 0.5-147.8 -47.1 -24.5 -3.5 -2.2 107 107 A G T < 5S- 0 0 40 -3,-0.6 -2,-0.1 -4,-0.1 -4,-0.0 -0.368 121.4 -55.3-154.5 67.7 -25.4 -0.7 0.2 108 108 A L T 5S- 0 0 142 -4,-0.4 -3,-0.1 1,-0.1 -5,-0.0 0.918 112.9 -45.6 61.7 45.2 -24.2 -1.2 3.7 109 109 A A < 0 0 68 -5,-1.7 -4,-0.1 1,-0.0 -1,-0.1 0.980 360.0 360.0 60.9 85.9 -25.9 -4.6 4.0 110 110 A K 0 0 222 -6,-0.2 -2,-0.1 0, 0.0 -1,-0.0 -0.335 360.0 360.0 -92.5 360.0 -29.4 -4.2 2.5