==== 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 18-MAY-07 2PZU . 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) . 7086.0 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 . 36 27.7 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.2 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 1 2 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 0 106 0, 0.0 2,-0.4 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0 158.9 1.1 -37.2 -20.9 2 8 A H - 0 0 120 64,-0.3 64,-0.5 65,-0.1 2,-0.4 -0.970 360.0-129.6-131.3 143.4 4.4 -38.4 -19.5 3 9 A K E -A 65 0A 85 -2,-0.4 62,-0.2 62,-0.2 79,-0.1 -0.705 23.2-165.9 -86.8 133.7 6.8 -37.1 -16.9 4 10 A E E -A 64 0A 29 60,-2.7 60,-3.1 -2,-0.4 2,-0.1 -0.906 25.2-106.7-118.8 146.7 10.5 -36.9 -17.9 5 11 A P E +A 63 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.365 41.5 170.7 -71.4 151.6 13.4 -36.4 -15.5 6 12 A A E -A 62 0A 14 56,-1.9 56,-0.7 15,-0.1 2,-0.4 -0.931 26.3-129.6-150.3 170.0 15.2 -33.0 -15.4 7 13 A T E -B 20 0A 90 13,-1.5 13,-2.8 -2,-0.3 2,-0.1 -0.997 25.8-118.0-130.7 128.6 17.8 -31.3 -13.3 8 14 A L E +B 19 0A 50 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.450 37.1 167.2 -62.8 131.8 17.5 -27.8 -11.9 9 15 A I E - 0 0 72 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.712 62.9 -20.5-109.8 -49.4 20.2 -25.6 -13.3 10 16 A K E -B 18 0A 133 8,-2.0 8,-3.1 0, 0.0 -1,-0.2 -0.924 54.2-121.9-168.0 137.3 19.0 -22.2 -12.3 11 17 A A E +B 17 0A 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.407 25.5 173.6 -72.5 153.7 15.9 -20.2 -11.2 12 18 A I E - 0 0 56 4,-1.3 2,-0.3 1,-0.4 5,-0.2 0.529 56.7 -54.0-128.7 -55.1 15.0 -17.3 -13.5 13 19 A D E > S-B 16 0A 9 3,-2.2 3,-1.1 35,-0.1 -1,-0.4 -0.966 70.7 -53.6-170.7-172.4 11.7 -16.1 -12.1 14 20 A G T 3 S+ 0 0 1 31,-0.3 79,-0.1 -2,-0.3 23,-0.1 0.825 131.1 23.8 -43.7 -46.0 8.2 -17.0 -11.1 15 21 A D T 3 S+ 0 0 12 21,-0.1 15,-2.5 1,-0.0 2,-0.4 0.324 118.0 63.5-107.6 7.3 7.1 -18.6 -14.5 16 22 A T E < +BC 13 29A 8 -3,-1.1 -3,-2.2 13,-0.2 -4,-1.3 -0.994 50.6 172.0-139.2 139.2 10.5 -19.6 -15.9 17 23 A V E -BC 11 28A 0 11,-1.9 11,-3.0 -2,-0.4 2,-0.6 -0.999 29.3-127.7-146.6 143.5 13.3 -22.0 -14.9 18 24 A K E +BC 10 27A 54 -8,-3.1 -9,-2.5 -2,-0.3 -8,-2.0 -0.815 37.6 176.8 -93.3 121.6 16.5 -23.2 -16.5 19 25 A L E -BC 8 26A 0 7,-3.6 7,-2.7 -2,-0.6 2,-0.7 -0.902 36.7-123.5-127.6 154.1 16.7 -27.0 -16.5 20 26 A M E +BC 7 25A 68 -13,-2.8 -13,-1.5 -2,-0.3 2,-0.5 -0.874 40.5 179.2 -93.1 116.1 19.0 -29.7 -17.8 21 27 A Y E > - C 0 24A 18 3,-2.9 3,-1.8 -2,-0.7 -15,-0.1 -0.983 63.9 -12.2-126.5 124.7 16.7 -31.8 -20.0 22 28 A K T 3 S- 0 0 142 -17,-0.5 -1,-0.2 -2,-0.5 -16,-0.1 0.880 130.7 -53.6 54.7 39.5 17.9 -34.8 -21.9 23 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.426 122.5 92.0 79.9 -1.6 21.5 -33.8 -21.2 24 30 A Q E < S-C 21 0A 62 -3,-1.8 -3,-2.9 -5,-0.0 -1,-0.1 -0.971 79.2-108.1-128.6 142.8 21.2 -30.2 -22.5 25 31 A P E +C 20 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.384 43.1 171.5 -67.0 143.9 20.3 -27.0 -20.7 26 32 A M E -C 19 0A 44 -7,-2.7 -7,-3.6 -2,-0.1 2,-0.5 -0.990 31.9-127.9-154.1 143.7 17.0 -25.5 -21.6 27 33 A T E -C 18 0A 32 -2,-0.3 51,-2.5 49,-0.3 2,-0.4 -0.805 27.6-155.4 -94.0 131.3 14.8 -22.7 -20.4 28 34 A F E -Cd 17 78A 0 -11,-3.0 -11,-1.9 -2,-0.5 2,-0.6 -0.915 8.6-154.0-113.6 135.1 11.2 -23.8 -19.5 29 35 A R E -Cd 16 79A 34 49,-3.3 51,-1.4 -2,-0.4 2,-0.2 -0.936 30.7-118.6-104.1 119.3 8.2 -21.6 -19.5 30 36 A L E > - d 0 80A 1 -15,-2.5 3,-1.0 -2,-0.6 51,-0.2 -0.408 32.4-116.7 -62.2 124.7 5.5 -22.9 -17.1 31 37 A L T 3 S+ 0 0 6 49,-2.7 51,-0.1 -2,-0.2 -1,-0.1 -0.258 82.9 0.8 -63.7 143.7 2.3 -23.8 -18.9 32 38 A L T 3 S+ 0 0 10 71,-0.2 70,-1.8 76,-0.1 2,-0.4 0.590 100.7 110.4 57.1 18.4 -0.9 -22.0 -18.2 33 39 A V E < -H 101 0B 0 -3,-1.0 2,-0.5 68,-0.3 68,-0.2 -0.972 45.5-166.3-127.2 143.3 0.3 -19.6 -15.6 34 40 A D E -H 100 0B 60 66,-2.8 66,-2.8 -2,-0.4 3,-0.1 -0.945 15.0-175.1-125.4 103.9 0.8 -15.9 -15.6 35 41 A T - 0 0 10 -2,-0.5 64,-0.2 64,-0.3 2,-0.1 -0.507 36.8 -87.8 -92.5 166.4 2.9 -14.6 -12.7 36 42 A P - 0 0 7 0, 0.0 -22,-0.2 0, 0.0 2,-0.1 -0.458 51.7 -99.5 -74.0 150.1 3.5 -10.8 -12.0 37 43 A E + 0 0 83 1,-0.1 5,-3.1 -2,-0.1 8,-0.2 -0.427 36.0 175.3 -75.2 143.8 6.5 -9.3 -13.8 38 44 A T 0 0 34 3,-0.3 -1,-0.1 7,-0.2 6,-0.0 0.557 360.0 360.0-114.7 -25.7 9.8 -8.8 -12.0 39 45 A K 0 0 180 6,-0.0 -2,-0.1 2,-0.0 6,-0.0 -0.211 360.0 360.0-142.2 360.0 11.8 -7.5 -15.0 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 0 135 0, 0.0 2,-0.3 0, 0.0 -3,-0.3 0.000 360.0 360.0 360.0 145.7 8.3 -4.8 -10.9 42 52 A E > - 0 0 101 -5,-3.1 3,-2.7 1,-0.1 0, 0.0 -0.824 360.0 -82.6-111.4 152.5 4.7 -5.8 -10.3 43 53 A K T 3 S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.3 -6,-0.0 -0.246 118.9 9.9 -51.6 137.6 3.2 -6.5 -6.9 44 54 A Y T 3> S+ 0 0 37 1,-0.1 4,-2.8 -9,-0.1 -1,-0.3 0.410 94.2 120.1 69.5 -1.9 3.9 -10.1 -5.8 45 55 A G H <> S+ 0 0 0 -3,-2.7 4,-1.9 -8,-0.2 -31,-0.3 0.957 79.1 40.6 -56.8 -52.0 6.3 -10.3 -8.7 46 56 A P H > S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.802 112.5 56.0 -69.7 -25.0 9.2 -11.0 -6.3 47 57 A E H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.955 107.6 48.6 -68.1 -47.8 7.1 -13.3 -4.2 48 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.914 111.8 50.3 -56.6 -45.7 6.2 -15.5 -7.2 49 59 A S H X S+ 0 0 24 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.876 110.6 48.1 -61.2 -41.5 9.9 -15.7 -8.1 50 60 A A H X S+ 0 0 47 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.900 111.0 52.2 -68.1 -39.4 11.0 -16.7 -4.6 51 61 A F H X S+ 0 0 47 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.982 112.9 42.2 -60.0 -57.8 8.3 -19.3 -4.5 52 62 A T H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.927 115.5 51.6 -56.2 -44.6 9.2 -21.0 -7.7 53 63 A K H X S+ 0 0 94 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.943 113.6 43.1 -56.8 -51.7 12.9 -20.7 -6.8 54 64 A K H X S+ 0 0 126 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.915 111.8 52.9 -63.0 -45.6 12.4 -22.3 -3.4 55 65 A M H X S+ 0 0 41 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.918 115.3 39.6 -59.8 -45.6 10.1 -25.1 -4.6 56 66 A N H < S+ 0 0 3 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.877 114.9 54.6 -72.2 -36.9 12.5 -26.3 -7.4 57 67 A E H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.882 110.2 44.0 -62.7 -43.4 15.6 -25.8 -5.2 58 68 A N H < S+ 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.618 91.7 112.6 -79.0 -12.0 14.4 -27.9 -2.3 59 69 A A < - 0 0 19 -4,-0.6 3,-0.2 -3,-0.3 -51,-0.1 -0.338 53.9-160.3 -68.5 142.1 13.1 -30.6 -4.7 60 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.845 85.8 25.4 -83.2 -41.7 14.9 -34.0 -4.7 61 71 A K - 0 0 137 -54,-0.1 24,-3.4 -3,-0.0 2,-0.4 -0.991 66.9-165.1-130.8 131.4 13.4 -34.7 -8.1 62 72 A I E -AE 6 84A 11 -56,-0.7 -56,-1.9 -2,-0.4 2,-0.4 -0.921 12.6-170.1-112.7 136.5 12.3 -32.3 -10.9 63 73 A E E -AE 5 83A 53 20,-2.5 20,-2.6 -2,-0.4 2,-0.4 -0.975 14.0-145.7-130.8 147.5 10.2 -33.6 -13.7 64 74 A V E -AE 4 82A 0 -60,-3.1 -60,-2.7 -2,-0.4 2,-0.5 -0.922 11.6-170.9-110.0 129.5 9.2 -32.0 -17.0 65 75 A E E -AE 3 81A 12 16,-2.7 16,-2.3 -2,-0.4 -62,-0.2 -0.901 8.9-156.5-125.4 102.2 5.7 -32.9 -18.5 66 76 A F E - E 0 80A 21 -64,-0.5 -64,-0.3 -2,-0.5 14,-0.2 -0.457 16.9-133.1 -71.9 149.8 5.1 -31.6 -22.0 67 77 A D - 0 0 1 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.237 29.4 -93.9 -91.5-170.8 1.5 -31.2 -23.0 68 78 A K S S+ 0 0 129 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.508 101.8 65.1 -84.5 -5.2 -0.2 -32.4 -26.2 69 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.027 106.4 -27.8 -98.6-155.0 0.2 -29.1 -28.1 70 80 A Q - 0 0 90 36,-1.2 -1,-0.3 1,-0.1 -3,-0.2 -0.311 53.1-152.7 -59.5 138.3 3.3 -27.2 -29.3 71 81 A R S S+ 0 0 126 1,-0.1 8,-3.4 -3,-0.1 2,-0.3 0.607 71.1 39.3 -92.3 -13.9 6.3 -27.9 -27.1 72 82 A T B S-F 78 0A 78 6,-0.3 6,-0.2 -44,-0.1 -1,-0.1 -0.995 71.9-135.2-136.7 142.9 8.3 -24.7 -27.5 73 83 A D > - 0 0 17 4,-2.4 3,-1.8 -2,-0.3 -2,-0.0 -0.282 44.2 -86.8 -85.4 179.8 7.3 -21.0 -27.7 74 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.683 126.2 58.3 -61.5 -20.2 8.7 -18.5 -30.2 75 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.158 120.9-102.8 -95.6 15.7 11.7 -17.7 -27.9 76 86 A G S < S+ 0 0 53 -3,-1.8 2,-0.4 1,-0.2 -49,-0.3 0.592 74.3 143.0 76.4 10.2 12.9 -21.3 -27.7 77 87 A R - 0 0 62 -51,-0.1 -4,-2.4 -49,-0.1 -49,-0.2 -0.696 53.8-118.4 -88.0 136.5 11.5 -22.0 -24.3 78 88 A G E -dF 28 72A 0 -51,-2.5 -49,-3.3 -2,-0.4 2,-0.7 -0.477 22.6-139.6 -68.7 138.6 10.0 -25.5 -23.5 79 89 A L E +d 29 0A 8 -8,-3.4 -12,-0.7 -51,-0.2 2,-0.3 -0.894 46.7 127.1-105.1 110.2 6.3 -25.3 -22.7 80 90 A A E -dE 30 66A 0 -51,-1.4 -49,-2.7 -2,-0.7 2,-0.4 -0.937 62.2-102.7-153.9 174.5 5.6 -27.7 -19.8 81 91 A Y E - 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