==== 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 2PZW . 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) . 7381.0 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 . 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 . 10 7.7 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 . 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 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 0.000 360.0 360.0 360.0 155.1 -1.1 -37.5 21.4 2 8 A H - 0 0 122 64,-0.3 64,-0.5 65,-0.1 2,-0.3 -0.986 360.0-123.4-135.9 146.2 -4.3 -38.9 19.9 3 9 A K E -A 65 0A 90 -2,-0.4 62,-0.2 62,-0.2 79,-0.0 -0.635 22.0-165.6 -87.6 141.9 -6.9 -37.5 17.5 4 10 A E E -A 64 0A 31 60,-2.4 60,-2.6 -2,-0.3 2,-0.0 -0.959 25.4-107.6-126.5 144.3 -10.6 -37.4 18.3 5 11 A P E +A 63 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.347 40.4 171.7 -70.2 150.7 -13.6 -36.8 16.0 6 12 A A E -A 62 0A 11 56,-1.9 56,-0.7 15,-0.1 2,-0.4 -0.941 25.2-133.4-149.9 164.8 -15.4 -33.5 16.0 7 13 A T E -B 20 0A 94 13,-1.7 13,-3.1 -2,-0.3 2,-0.1 -0.997 26.9-115.8-129.5 129.9 -18.0 -31.8 13.9 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.387 34.8 168.4 -64.6 132.1 -17.8 -28.2 12.7 9 15 A I E - 0 0 74 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.745 67.5 -25.0-106.0 -51.9 -20.4 -25.9 14.1 10 16 A K E -B 18 0A 126 8,-2.0 8,-3.8 46,-0.0 2,-0.4 -0.928 48.5-128.0-167.9 137.3 -18.9 -22.6 13.0 11 17 A A E +B 17 0A 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.722 27.8 176.5 -84.1 130.0 -15.7 -20.9 12.0 12 18 A I - 0 0 81 4,-2.0 2,-0.3 -2,-0.4 5,-0.2 0.817 56.9 -18.3-104.6 -40.6 -15.3 -17.7 14.0 13 19 A D S S- 0 0 9 3,-2.4 -1,-0.3 36,-0.1 3,-0.2 -0.854 76.6 -82.3-153.3-177.2 -11.9 -16.3 13.2 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 79,-0.1 0.876 131.4 29.8 -64.8 -32.5 -8.6 -17.3 11.6 15 21 A D S S+ 0 0 2 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.401 116.2 62.2-107.3 1.7 -7.5 -18.7 15.0 16 22 A T E + C 0 29A 9 13,-0.2 -3,-2.4 -3,-0.2 -4,-2.0 -0.989 51.2 173.5-138.2 134.1 -10.8 -19.8 16.5 17 23 A V E -BC 11 28A 0 11,-2.1 11,-3.4 -2,-0.4 2,-0.5 -0.986 27.5-129.9-139.2 149.0 -13.5 -22.3 15.6 18 24 A K E +BC 10 27A 67 -8,-3.8 -9,-2.7 -2,-0.3 -8,-2.0 -0.860 36.0 176.3 -98.1 124.1 -16.7 -23.7 17.2 19 25 A L E -BC 8 26A 0 7,-3.3 7,-2.0 -2,-0.5 2,-0.8 -0.906 37.1-124.0-131.3 155.0 -16.9 -27.5 17.2 20 26 A M E -BC 7 25A 69 -13,-3.1 -13,-1.7 -2,-0.3 2,-0.5 -0.896 39.5-177.9 -96.9 109.9 -19.1 -30.2 18.5 21 27 A Y E > - C 0 24A 26 3,-2.6 3,-1.7 -2,-0.8 -15,-0.1 -0.967 62.7 -20.5-118.9 121.6 -16.7 -32.3 20.6 22 28 A K T 3 S- 0 0 162 -2,-0.5 -1,-0.2 -17,-0.5 -16,-0.1 0.885 132.7 -41.4 48.0 47.9 -17.9 -35.4 22.4 23 29 A G T 3 S+ 0 0 69 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.288 122.3 81.5 91.5 -11.4 -21.6 -34.3 22.2 24 30 A Q E < S-C 21 0A 124 -3,-1.7 -3,-2.6 -5,-0.0 -1,-0.1 -0.976 78.0-104.7-137.1 148.6 -21.3 -30.6 23.1 25 31 A P E +C 20 0A 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.304 44.9 170.8 -61.5 143.5 -20.5 -27.3 21.4 26 32 A M E -C 19 0A 36 -7,-2.0 -7,-3.3 2,-0.0 2,-0.5 -0.968 32.2-127.0-159.8 140.2 -17.1 -25.9 22.3 27 33 A T E -C 18 0A 33 -2,-0.3 51,-2.6 49,-0.3 2,-0.4 -0.768 26.8-161.1 -92.6 128.8 -14.9 -23.1 21.1 28 34 A F E -Cd 17 78A 0 -11,-3.4 -11,-2.1 -2,-0.5 2,-0.5 -0.910 10.0-154.6-113.2 139.3 -11.3 -24.1 20.2 29 35 A R E -Cd 16 79A 39 49,-3.3 51,-1.4 -2,-0.4 -13,-0.2 -0.953 31.6-116.1-108.7 122.2 -8.3 -21.8 19.9 30 36 A L E > - d 0 80A 1 -15,-2.6 3,-0.9 -2,-0.5 51,-0.2 -0.422 33.3-118.6 -62.9 124.8 -5.7 -23.2 17.5 31 37 A L T 3 S+ 0 0 7 49,-2.5 51,-0.1 1,-0.2 -1,-0.1 -0.281 82.8 3.6 -64.8 147.7 -2.5 -24.0 19.3 32 38 A L T 3 S+ 0 0 10 71,-0.2 70,-1.5 76,-0.1 2,-0.4 0.541 102.2 105.4 55.6 18.0 0.8 -22.3 18.5 33 39 A V E < -H 101 0B 0 -3,-0.9 2,-0.5 68,-0.3 68,-0.2 -0.980 47.5-164.9-131.0 142.7 -0.5 -19.8 15.9 34 40 A D E -H 100 0B 66 66,-2.5 66,-2.3 -2,-0.4 3,-0.0 -0.973 17.5-174.4-122.4 111.2 -1.1 -16.1 15.9 35 41 A T - 0 0 8 -2,-0.5 64,-0.2 64,-0.2 10,-0.1 -0.687 37.4 -90.8-103.8 158.4 -3.3 -14.9 13.0 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.439 51.9-118.1 -64.7 143.7 -4.2 -11.3 12.1 37 43 A E - 0 0 57 1,-0.1 5,-2.5 -24,-0.1 8,-0.2 -0.602 27.2-173.1 -90.0 146.6 -7.4 -10.4 13.9 38 44 A T 0 0 41 -2,-0.2 -1,-0.1 3,-0.2 -25,-0.0 0.604 360.0 360.0-105.0 -20.8 -10.7 -9.5 12.2 39 45 A K 0 0 201 2,-0.1 -2,-0.1 6,-0.1 3,-0.1 -0.605 360.0 360.0 -78.5 360.0 -12.5 -8.5 15.5 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 0 139 0, 0.0 -3,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 108.1 -9.4 -5.3 11.2 42 52 A E > - 0 0 112 -5,-2.5 3,-1.7 1,-0.1 2,-0.2 -0.286 360.0 -85.2 -72.3 158.5 -5.8 -6.2 10.8 43 53 A K T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 -0.463 116.2 12.7 -67.8 132.6 -4.1 -6.9 7.4 44 54 A Y T 3> S+ 0 0 38 -2,-0.2 4,-3.0 -3,-0.1 -1,-0.3 0.359 94.8 117.1 78.8 -0.8 -4.6 -10.5 6.3 45 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.5 -8,-0.2 -7,-0.2 0.964 78.0 41.6 -61.1 -53.8 -7.2 -10.9 9.0 46 56 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.840 114.8 53.4 -65.1 -27.3 -10.0 -11.6 6.6 47 57 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 110.7 45.2 -69.7 -44.7 -7.7 -13.8 4.5 48 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.915 113.8 50.9 -63.4 -43.4 -6.7 -15.9 7.5 49 59 A S H X S+ 0 0 23 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.912 111.2 46.8 -60.1 -47.3 -10.4 -16.2 8.6 50 60 A A H X S+ 0 0 53 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.893 111.2 52.7 -63.1 -40.8 -11.5 -17.3 5.1 51 61 A F H X S+ 0 0 50 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.977 112.7 42.7 -59.7 -56.1 -8.7 -19.8 5.0 52 62 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.923 116.8 49.3 -56.6 -45.6 -9.6 -21.4 8.3 53 63 A K H X S+ 0 0 95 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.959 113.8 44.6 -57.8 -54.8 -13.3 -21.2 7.4 54 64 A K H X S+ 0 0 141 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.927 111.7 52.2 -57.6 -48.9 -12.9 -22.8 4.0 55 65 A M H < S+ 0 0 38 -4,-2.9 4,-0.3 -5,-0.3 -1,-0.2 0.880 116.4 39.1 -59.0 -41.0 -10.5 -25.6 5.2 56 66 A N H >< S+ 0 0 3 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.895 114.9 51.5 -77.9 -40.4 -12.9 -26.7 7.9 57 67 A E H 3< S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.853 110.5 48.6 -65.4 -35.1 -16.2 -26.3 6.0 58 68 A N T 3< S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.510 91.2 102.9 -83.9 -5.7 -14.9 -28.4 3.0 59 69 A A < - 0 0 20 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.0 -0.532 58.1-155.1 -83.9 147.3 -13.6 -31.3 5.0 60 70 A K S S+ 0 0 185 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.791 87.1 31.8 -82.8 -33.8 -15.4 -34.6 5.4 61 71 A K - 0 0 144 -54,-0.0 24,-3.1 -56,-0.0 2,-0.4 -0.993 63.8-170.3-133.1 131.0 -13.6 -35.3 8.7 62 72 A I E -AE 6 84A 11 -56,-0.7 -56,-1.9 -2,-0.4 2,-0.4 -0.953 11.6-176.3-117.9 134.1 -12.5 -32.9 11.4 63 73 A E E -AE 5 83A 58 20,-2.3 20,-3.2 -2,-0.4 2,-0.4 -0.977 12.5-150.2-132.0 147.2 -10.3 -34.2 14.2 64 74 A V E -AE 4 82A 0 -60,-2.6 -60,-2.4 -2,-0.4 2,-0.4 -0.922 6.6-165.8-117.9 143.6 -9.0 -32.4 17.3 65 75 A E E -AE 3 81A 12 16,-2.6 16,-2.6 -2,-0.4 2,-0.2 -0.956 8.2-152.7-132.6 111.4 -5.8 -33.2 19.0 66 76 A F E - E 0 80A 24 -64,-0.5 -64,-0.3 -2,-0.4 14,-0.2 -0.530 17.0-133.6 -78.5 151.0 -5.0 -31.9 22.5 67 77 A D - 0 0 1 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.236 30.1 -96.1 -91.3-169.9 -1.4 -31.4 23.4 68 78 A K S S+ 0 0 122 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.428 100.0 70.2 -90.5 -0.8 0.2 -32.6 26.7 69 79 A G S S- 0 0 17 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.057 105.8 -30.3 -96.7-157.3 -0.1 -29.2 28.4 70 80 A Q - 0 0 100 36,-1.2 -1,-0.3 1,-0.1 -3,-0.2 -0.328 53.9-152.4 -58.6 136.6 -3.1 -27.2 29.7 71 81 A R S S+ 0 0 128 -3,-0.1 8,-2.7 1,-0.1 2,-0.3 0.525 70.7 35.4 -93.4 -8.5 -6.1 -28.0 27.5 72 82 A T B S-F 78 0A 72 6,-0.3 6,-0.2 -44,-0.1 -1,-0.1 -0.993 71.5-133.6-143.3 148.7 -8.2 -24.8 27.9 73 83 A D > - 0 0 22 4,-2.2 3,-1.7 -2,-0.3 -2,-0.0 -0.284 42.9 -86.5 -91.3-175.5 -7.3 -21.1 28.2 74 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.720 126.2 57.7 -64.7 -22.9 -8.7 -18.6 30.7 75 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.320 120.3-106.0 -90.0 7.7 -11.6 -17.8 28.4 76 86 A G S < S+ 0 0 50 -3,-1.7 2,-0.3 1,-0.3 -49,-0.3 0.610 72.5 141.8 81.3 11.1 -12.8 -21.4 28.3 77 87 A R - 0 0 61 -51,-0.1 -4,-2.2 -49,-0.1 -1,-0.3 -0.700 54.3-117.4 -87.7 139.5 -11.6 -22.2 24.8 78 88 A G E -dF 28 72A 0 -51,-2.6 -49,-3.3 -2,-0.3 2,-0.7 -0.493 22.8-138.9 -72.4 141.9 -10.0 -25.7 24.1 79 89 A L E +d 29 0A 10 -8,-2.7 -12,-0.6 -51,-0.2 2,-0.3 -0.913 45.8 130.0-107.0 113.7 -6.4 -25.5 23.0 80 90 A A E -dE 30 66A 0 -51,-1.4 -49,-2.5 -2,-0.7 2,-0.4 -0.951 60.7-103.6-156.7 171.6 -5.7 -27.9 20.2 81 91 A Y E - 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