==== 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 2PW7 . 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) . 7385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.2 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 . 34 26.2 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 . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.5 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 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 . 2 2 0 2 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 0 101 0, 0.0 2,-0.4 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0 157.2 1.1 -37.1 -21.7 2 8 A H - 0 0 124 64,-0.4 64,-0.5 65,-0.1 2,-0.3 -0.999 360.0-123.6-144.8 141.6 4.3 -38.3 -20.0 3 9 A K E -A 65 0A 87 -2,-0.4 62,-0.2 62,-0.2 79,-0.1 -0.607 25.5-165.9 -81.0 135.4 6.8 -37.0 -17.5 4 10 A E E -A 64 0A 32 60,-2.3 60,-2.8 -2,-0.3 -2,-0.0 -0.939 26.3-103.9-121.9 144.3 10.5 -36.9 -18.6 5 11 A P E +A 63 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.250 42.4 171.1 -65.4 155.0 13.4 -36.4 -16.3 6 12 A A E -A 62 0A 14 56,-1.6 56,-0.7 15,-0.1 2,-0.4 -0.959 24.8-136.4-156.5 164.3 15.2 -33.0 -16.1 7 13 A T E -B 20 0A 92 13,-1.4 13,-3.0 -2,-0.3 2,-0.2 -0.998 26.6-117.4-130.6 130.2 17.9 -31.3 -14.0 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.487 32.2 172.9 -68.8 129.3 17.7 -27.8 -12.8 9 15 A I E - 0 0 74 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.799 69.2 -18.5 -99.5 -46.9 20.4 -25.6 -14.3 10 16 A K E -B 18 0A 128 8,-1.9 8,-2.4 46,-0.0 -1,-0.3 -0.887 57.2-124.9-166.5 128.5 19.2 -22.3 -13.0 11 17 A A E +B 17 0A 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.411 29.6 175.3 -67.0 150.7 16.0 -20.8 -11.6 12 18 A I - 0 0 78 4,-0.9 2,-0.3 1,-0.5 5,-0.2 0.615 47.5 -57.4-124.1 -60.5 15.1 -17.7 -13.7 13 19 A D - 0 0 26 3,-1.8 -1,-0.5 1,-0.1 3,-0.1 -0.892 68.4 -52.8-164.2-163.0 11.8 -16.3 -12.5 14 20 A G S S+ 0 0 1 22,-0.3 23,-0.1 -2,-0.3 79,-0.1 0.927 128.4 25.7 -55.3 -51.7 8.1 -17.0 -12.0 15 21 A D S S+ 0 0 10 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.532 119.9 48.5 -97.8 -0.4 7.2 -18.3 -15.5 16 22 A T E + C 0 29A 11 13,-0.2 -3,-1.8 -3,-0.1 -4,-0.9 -0.914 51.4 176.7-136.5 160.8 10.5 -19.7 -16.7 17 23 A V E -BC 11 28A 0 11,-1.5 11,-3.2 -2,-0.3 2,-0.6 -0.975 29.3-121.0-158.1 153.5 13.4 -21.9 -15.6 18 24 A K E +BC 10 27A 69 -8,-2.4 -9,-2.9 -2,-0.3 -8,-1.9 -0.910 38.8 174.0-104.8 120.4 16.6 -23.3 -17.2 19 25 A L E -BC 8 26A 0 7,-3.3 7,-2.4 -2,-0.6 2,-0.8 -0.879 37.6-124.6-127.2 156.1 16.8 -27.0 -17.3 20 26 A M E -BC 7 25A 72 -13,-3.0 -13,-1.4 -2,-0.3 2,-0.5 -0.902 38.4-177.8 -97.0 110.7 19.1 -29.7 -18.7 21 27 A Y E > - C 0 24A 27 3,-2.7 3,-1.6 -2,-0.8 -15,-0.1 -0.968 65.3 -16.7-118.7 120.6 16.7 -31.7 -20.8 22 28 A K T 3 S- 0 0 164 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.901 130.9 -48.9 53.0 47.0 18.0 -34.8 -22.6 23 29 A G T 3 S+ 0 0 52 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.415 121.1 96.2 79.4 -1.9 21.6 -33.6 -22.1 24 30 A Q E < S-C 21 0A 136 -3,-1.6 -3,-2.7 2,-0.0 -1,-0.1 -0.970 75.9-114.4-129.0 138.2 21.1 -30.1 -23.3 25 31 A P E +C 20 0A 69 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.384 44.4 166.8 -62.7 140.2 20.4 -26.8 -21.6 26 32 A M E -C 19 0A 41 -7,-2.4 -7,-3.3 -2,-0.1 2,-0.4 -0.983 32.1-132.6-156.1 140.1 17.0 -25.4 -22.4 27 33 A T E -C 18 0A 37 -2,-0.3 51,-2.1 49,-0.3 2,-0.4 -0.829 25.1-153.6-100.7 138.1 14.8 -22.7 -20.9 28 34 A F E -Cd 17 78A 0 -11,-3.2 -11,-1.5 -2,-0.4 2,-0.5 -0.890 10.0-150.8-112.7 144.5 11.2 -23.6 -20.3 29 35 A R E -Cd 16 79A 32 49,-3.3 51,-1.3 -2,-0.4 -13,-0.2 -0.959 31.3-117.7-110.5 121.3 8.1 -21.5 -20.1 30 36 A L E > - d 0 80A 2 -15,-2.6 3,-1.0 -2,-0.5 51,-0.2 -0.403 32.2-117.7 -62.4 125.6 5.4 -22.9 -17.8 31 37 A L T 3 S+ 0 0 6 49,-2.3 51,-0.1 1,-0.2 -1,-0.1 -0.286 84.2 2.9 -65.0 146.3 2.2 -23.7 -19.6 32 38 A L T 3 S+ 0 0 10 71,-0.2 70,-1.5 76,-0.1 2,-0.4 0.577 102.2 109.3 54.5 20.8 -1.1 -22.0 -18.9 33 39 A V E < -H 101 0B 0 -3,-1.0 2,-0.5 68,-0.3 68,-0.2 -0.974 45.3-167.0-130.4 144.3 0.3 -19.5 -16.3 34 40 A D E -H 100 0B 72 66,-2.6 66,-2.4 -2,-0.4 3,-0.0 -0.964 17.4-174.1-124.4 108.8 0.9 -15.7 -16.2 35 41 A T - 0 0 14 -2,-0.5 2,-0.2 64,-0.2 64,-0.2 -0.590 37.7 -86.0 -99.2 163.7 3.0 -14.6 -13.2 36 42 A P - 0 0 11 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.508 47.9-124.1 -69.9 136.3 3.8 -11.0 -12.2 37 43 A E - 0 0 74 -2,-0.2 5,-4.1 1,-0.1 8,-0.2 -0.565 28.0-179.6 -83.2 145.3 6.8 -9.7 -14.1 38 44 A T 0 0 42 3,-0.3 -1,-0.1 -2,-0.2 7,-0.0 0.374 360.0 360.0-120.6 -4.1 9.8 -8.3 -12.2 39 45 A K 0 0 220 2,-0.0 -1,-0.1 6,-0.0 -2,-0.0 -0.918 360.0 360.0-114.2 360.0 12.0 -7.4 -15.2 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 0 137 0, 0.0 -3,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 90.3 9.0 -5.2 -10.9 42 52 A E > - 0 0 111 -5,-4.1 3,-2.0 1,-0.1 2,-0.3 -0.159 360.0 -75.6 -70.4 165.5 5.3 -5.9 -10.7 43 53 A K T 3 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 -0.468 121.6 5.8 -65.3 123.3 3.2 -6.6 -7.5 44 54 A Y T 3> S+ 0 0 40 -2,-0.3 4,-1.4 -3,-0.1 -1,-0.3 0.693 97.3 122.8 72.5 21.5 3.9 -10.2 -6.3 45 55 A G H <> S+ 0 0 0 -3,-2.0 4,-1.7 2,-0.2 -31,-0.2 0.962 76.4 37.5 -75.1 -56.2 6.5 -10.4 -9.0 46 56 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.786 113.3 59.3 -66.1 -27.7 9.5 -11.3 -6.7 47 57 A E H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.978 106.3 47.1 -62.0 -54.4 7.2 -13.4 -4.6 48 58 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.860 113.7 48.5 -54.8 -41.0 6.3 -15.6 -7.5 49 59 A S H X S+ 0 0 22 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.897 110.8 49.8 -67.9 -42.8 10.0 -15.9 -8.5 50 60 A A H X S+ 0 0 35 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.930 109.7 53.9 -60.9 -44.5 11.0 -16.7 -4.9 51 61 A F H X S+ 0 0 45 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.956 113.2 38.1 -55.5 -58.7 8.3 -19.4 -4.8 52 62 A T H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.871 112.5 59.8 -65.9 -33.1 9.4 -21.3 -8.0 53 63 A K H X S+ 0 0 99 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.946 109.4 42.4 -57.6 -49.7 13.1 -20.8 -7.1 54 64 A K H X S+ 0 0 128 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 113.0 55.0 -63.8 -39.2 12.6 -22.6 -3.8 55 65 A M H X S+ 0 0 39 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.917 113.3 38.7 -62.2 -45.3 10.5 -25.3 -5.5 56 66 A Y H < S+ 0 0 4 -4,-2.6 3,-0.5 2,-0.2 -48,-0.2 0.934 117.9 47.2 -71.1 -49.8 13.1 -26.2 -8.1 57 67 A E H < S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.814 113.7 47.9 -63.5 -33.5 16.2 -26.0 -6.0 58 68 A N H < S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.635 90.3 103.7 -83.4 -17.0 14.7 -28.0 -3.1 59 69 A A < - 0 0 21 -4,-0.7 3,-0.1 -3,-0.5 -3,-0.0 -0.367 56.8-157.1 -71.5 146.2 13.3 -30.8 -5.2 60 70 A K S S+ 0 0 191 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.815 86.0 30.8 -84.5 -37.4 15.1 -34.2 -5.5 61 71 A K - 0 0 148 -54,-0.0 24,-2.8 -56,-0.0 2,-0.4 -0.978 64.5-169.1-128.1 136.0 13.4 -34.8 -8.8 62 72 A I E -AE 6 84A 12 -56,-0.7 -56,-1.6 -2,-0.4 2,-0.4 -0.961 10.6-176.6-120.8 138.5 12.4 -32.5 -11.6 63 73 A E E -AE 5 83A 54 20,-1.9 20,-2.9 -2,-0.4 2,-0.4 -0.993 14.7-148.8-136.3 144.9 10.2 -33.7 -14.5 64 74 A V E -AE 4 82A 0 -60,-2.8 -60,-2.3 -2,-0.4 2,-0.5 -0.928 9.2-165.7-113.4 136.7 9.0 -31.9 -17.6 65 75 A E E -AE 3 81A 15 16,-2.8 16,-2.4 -2,-0.4 -62,-0.2 -0.919 7.9-153.0-127.2 105.8 5.7 -32.8 -19.2 66 76 A F E - E 0 80A 22 -64,-0.5 -64,-0.4 -2,-0.5 14,-0.2 -0.469 16.2-136.7 -72.1 148.6 5.0 -31.6 -22.7 67 77 A D - 0 0 1 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.142 30.0 -93.6 -90.2-164.3 1.4 -31.1 -23.6 68 78 A K S S+ 0 0 122 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.480 100.6 67.9 -93.5 -4.7 -0.3 -32.2 -26.9 69 79 A G S S- 0 0 17 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.037 106.3 -29.3 -94.1-152.7 0.0 -28.9 -28.7 70 80 A Q - 0 0 100 36,-1.1 -1,-0.3 35,-0.1 -3,-0.2 -0.380 52.9-151.3 -65.3 137.1 3.1 -27.0 -30.0 71 81 A R S S+ 0 0 123 1,-0.1 8,-2.7 -3,-0.1 2,-0.3 0.585 72.9 37.8 -88.9 -12.2 6.2 -27.8 -27.8 72 82 A T B S-F 78 0A 72 6,-0.3 6,-0.2 -44,-0.1 -1,-0.1 -0.999 72.1-135.6-139.5 140.6 8.2 -24.6 -28.2 73 83 A D > - 0 0 18 4,-2.3 3,-1.8 -2,-0.3 -2,-0.0 -0.243 44.3 -87.0 -83.1-178.4 7.2 -20.9 -28.4 74 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.737 126.5 58.5 -61.2 -24.0 8.6 -18.4 -30.9 75 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.227 119.7-105.4 -91.7 13.2 11.5 -17.6 -28.6 76 86 A G S < S+ 0 0 51 -3,-1.8 2,-0.4 1,-0.2 -49,-0.3 0.615 72.8 142.5 77.0 11.1 12.7 -21.2 -28.5 77 87 A R - 0 0 65 -51,-0.1 -4,-2.3 -49,-0.1 -1,-0.2 -0.702 55.0-117.0 -88.7 138.7 11.4 -21.9 -25.0 78 88 A G E -dF 28 72A 0 -51,-2.1 -49,-3.3 -2,-0.4 2,-0.7 -0.505 23.8-140.3 -69.6 139.1 10.0 -25.4 -24.3 79 89 A L E +d 29 0A 9 -8,-2.7 -12,-0.7 -51,-0.2 2,-0.3 -0.902 45.1 129.1-106.5 107.9 6.3 -25.2 -23.3 80 90 A A E -dE 30 66A 0 -51,-1.3 -49,-2.3 -2,-0.7 2,-0.5 -0.936 61.5-106.2-152.6 172.5 5.5 -27.6 -20.5 81 91 A Y E - 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