==== 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 13-NOV-05 2F0Q . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 26.7 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 3.0 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 . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 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 0 102 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 151.6 36.8 0.7 -7.2 2 8 A H - 0 0 119 68,-0.3 68,-0.6 69,-0.1 2,-0.3 -0.985 360.0-124.8-141.6 145.0 38.0 3.9 -5.6 3 9 A K E -A 69 0A 93 -2,-0.4 66,-0.2 66,-0.2 64,-0.0 -0.604 24.7-168.3 -83.5 139.9 36.7 6.4 -3.1 4 10 A E E -A 68 0A 26 64,-2.3 64,-3.5 -2,-0.3 2,-0.1 -0.975 24.0-108.5-127.2 148.0 36.6 10.1 -4.0 5 11 A P E +A 67 0A 88 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.364 39.4 167.4 -74.9 151.1 35.9 13.1 -1.7 6 12 A A E -A 66 0A 12 60,-2.1 60,-0.6 15,-0.1 2,-0.4 -0.958 26.5-128.0-154.2 168.0 32.7 15.1 -1.7 7 13 A T E -B 20 0A 92 13,-1.8 13,-2.5 -2,-0.3 2,-0.1 -0.984 28.0-110.9-129.5 133.2 31.0 17.7 0.4 8 14 A L E +B 19 0A 39 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.327 36.7 165.9 -63.3 133.7 27.4 17.6 1.7 9 15 A I E - 0 0 71 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.736 67.5 -27.0-105.1 -57.0 25.0 20.1 0.2 10 16 A K E -B 18 0A 118 8,-2.2 8,-3.2 0, 0.0 2,-0.5 -0.951 49.8-130.9-159.4 133.9 21.6 18.8 1.3 11 17 A A E -B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.815 23.1-174.2 -83.4 129.9 20.1 15.5 2.2 12 18 A I E - 0 0 50 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.836 59.8 -37.0 -97.5 -45.5 16.9 15.1 0.2 13 19 A D E > S-B 16 0A 8 3,-2.1 3,-0.6 39,-0.1 -1,-0.4 -0.889 83.9 -61.0-159.7-166.2 15.5 11.9 1.7 14 20 A G T 3 S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.3 83,-0.1 0.810 131.8 21.2 -59.0 -32.4 16.8 8.6 2.9 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-3.0 1,-0.1 2,-0.4 0.392 114.0 70.2-120.7 10.9 18.4 7.5 -0.3 16 22 A T E < +BC 13 29A 17 -3,-0.6 -4,-2.5 13,-0.2 -3,-2.1 -0.984 54.1 167.6-132.8 124.2 18.8 10.8 -2.3 17 23 A V E -BC 11 28A 0 11,-2.3 11,-4.0 -2,-0.4 2,-0.5 -0.993 30.3-132.3-139.8 145.0 21.4 13.4 -1.4 18 24 A K E +BC 10 27A 78 -8,-3.2 -9,-2.4 -2,-0.4 -8,-2.2 -0.873 35.5 175.0 -96.6 118.3 22.8 16.5 -3.1 19 25 A L E -BC 8 26A 0 7,-3.1 7,-3.3 -2,-0.5 2,-0.6 -0.805 36.7-118.9-120.5 162.9 26.6 16.7 -2.9 20 26 A M E +BC 7 25A 65 -13,-2.5 -13,-1.8 -2,-0.3 2,-0.4 -0.909 42.1 172.1 -95.4 117.3 29.4 18.9 -4.2 21 27 A Y E > - C 0 24A 35 3,-3.0 3,-1.8 -2,-0.6 -15,-0.1 -0.981 63.5 -12.5-137.7 122.8 31.6 16.6 -6.4 22 28 A K T 3 S- 0 0 108 -2,-0.4 -1,-0.1 -17,-0.4 -16,-0.1 0.910 129.0 -54.0 47.2 53.2 34.5 17.8 -8.5 23 29 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.256 119.6 101.0 71.5 -5.3 33.4 21.4 -8.1 24 30 A Q E < S-C 21 0A 131 -3,-1.8 -3,-3.0 2,-0.0 2,-0.3 -0.813 74.6-118.5-110.8 150.4 29.8 20.8 -9.3 25 31 A P E +C 20 0A 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.689 44.6 172.6 -78.1 137.6 26.6 20.4 -7.3 26 32 A M E -C 19 0A 47 -7,-3.3 -7,-3.1 -2,-0.3 2,-0.4 -0.999 33.0-127.7-149.7 144.0 25.1 17.0 -8.1 27 33 A T E -C 18 0A 44 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.787 26.8-161.2 -90.4 132.7 22.3 14.7 -6.9 28 34 A F E -Cd 17 82A 2 -11,-4.0 -11,-2.3 -2,-0.4 2,-0.4 -0.925 8.9-153.7-114.9 142.6 23.3 11.2 -5.9 29 35 A R E -Cd 16 83A 36 53,-2.9 55,-1.6 -2,-0.4 2,-0.3 -0.953 31.5-114.4-106.1 126.3 21.0 8.1 -5.5 30 36 A L E > - d 0 84A 3 -15,-3.0 3,-0.9 -2,-0.4 55,-0.2 -0.511 34.6-118.5 -67.4 124.9 22.3 5.5 -3.1 31 37 A L T 3 S+ 0 0 13 53,-3.1 55,-0.1 -2,-0.3 -1,-0.1 -0.303 82.3 0.4 -61.9 143.3 23.2 2.3 -4.8 32 38 A L T 3 S+ 0 0 10 75,-0.2 74,-2.3 80,-0.2 2,-0.4 0.313 107.4 96.0 67.1 4.2 21.4 -1.0 -4.1 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.4 72,-0.3 72,-0.2 -0.931 50.7-161.6-127.6 151.8 19.1 0.3 -1.4 34 40 A D E -H 104 0B 69 70,-2.3 70,-2.0 -2,-0.4 3,-0.0 -0.974 11.9-169.4-123.3 113.5 15.5 1.5 -1.3 35 41 A T - 0 0 4 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.693 37.0 -92.9 -98.2 160.0 14.3 3.6 1.6 36 42 A P - 0 0 13 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.392 50.4-115.0 -66.6 153.4 10.6 4.4 2.3 37 43 A E - 0 0 35 1,-0.1 9,-3.2 -24,-0.1 12,-0.3 -0.601 32.0-179.0 -97.0 150.2 9.6 7.7 0.7 38 44 A T S S+ 0 0 35 7,-0.3 -1,-0.1 -2,-0.2 7,-0.1 0.205 79.5 65.3-115.3 -3.9 8.4 11.0 2.2 39 45 A K + 0 0 119 3,-0.1 4,-0.1 10,-0.0 6,-0.1 0.983 63.2 100.3 -83.9 -80.2 8.0 12.6 -1.3 40 46 A H > - 0 0 65 2,-0.1 4,-2.4 1,-0.1 3,-0.1 0.340 53.7-145.2 -38.8 133.0 5.4 11.2 -3.7 41 47 A P T 4 S+ 0 0 127 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.927 105.0 48.4 -58.9 -50.8 2.0 12.7 -4.4 42 48 A K T 4 S+ 0 0 164 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.890 126.3 23.5 -93.2 104.6 0.6 9.3 -4.8 43 49 A K T 4 S- 0 0 128 -2,-1.0 2,-0.4 -3,-0.1 -1,-0.1 -0.691 82.5-165.2 145.4 -77.3 2.1 7.8 -1.7 44 50 A G < - 0 0 28 -4,-2.4 2,-0.8 -2,-0.1 -2,-0.1 -0.816 63.0 -14.0 95.8-131.4 2.8 10.6 0.8 45 51 A V S S- 0 0 90 -2,-0.4 -7,-0.3 -7,-0.1 3,-0.1 -0.892 75.3-154.1-101.3 105.6 5.0 9.8 3.7 46 52 A E > - 0 0 68 -9,-3.2 3,-1.6 -2,-0.8 2,-0.2 -0.306 38.8 -69.5 -73.7 170.7 5.4 6.0 3.9 47 53 A K T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.1 -10,-0.0 -0.445 121.6 6.5 -64.1 125.5 6.2 4.3 7.2 48 54 A Y T 3> S+ 0 0 39 -2,-0.2 4,-2.9 -3,-0.1 -1,-0.3 0.308 93.9 120.6 79.8 -2.4 9.7 4.9 8.4 49 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.2 -12,-0.3 5,-0.2 0.980 78.9 41.3 -51.1 -59.1 10.2 7.5 5.5 50 56 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.896 114.1 54.1 -60.4 -36.6 10.9 10.3 7.9 51 57 A E H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.909 109.1 48.0 -60.8 -42.8 13.1 8.0 10.1 52 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.895 111.9 48.8 -68.6 -40.2 15.2 7.0 7.1 53 59 A S H X S+ 0 0 22 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.872 110.4 50.3 -68.6 -37.1 15.7 10.6 6.0 54 60 A A H X S+ 0 0 33 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.921 109.6 52.4 -71.0 -34.4 16.7 11.8 9.4 55 61 A F H X S+ 0 0 60 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.965 112.2 43.7 -60.6 -50.8 19.2 8.9 9.7 56 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.967 115.9 49.0 -59.0 -47.0 20.9 9.8 6.3 57 63 A K H X S+ 0 0 82 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.976 113.6 44.4 -57.9 -55.2 20.9 13.5 7.1 58 64 A K H X S+ 0 0 104 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.940 111.8 53.3 -57.9 -47.5 22.4 13.1 10.6 59 65 A M H < S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.906 117.6 36.4 -57.1 -40.4 25.0 10.6 9.5 60 66 A L H >< S+ 0 0 4 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.871 114.1 54.5 -82.7 -35.5 26.3 12.9 6.8 61 67 A E H 3< S+ 0 0 100 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.783 111.2 47.0 -67.9 -25.2 25.9 16.2 8.6 62 68 A N T 3< S+ 0 0 129 -4,-2.0 -1,-0.3 -5,-0.3 2,-0.2 0.313 89.6 114.4 -99.2 8.0 27.9 14.9 11.5 63 69 A A < - 0 0 25 -3,-1.2 3,-0.2 1,-0.1 -3,-0.1 -0.463 56.3-152.5 -84.5 147.3 30.8 13.4 9.4 64 70 A K S S+ 0 0 191 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.928 88.7 13.6 -74.0 -45.7 34.4 14.6 9.4 65 71 A K - 0 0 109 -3,-0.1 24,-2.9 -58,-0.0 2,-0.4 -0.993 64.4-159.7-138.4 136.9 34.8 13.3 5.8 66 72 A I E -AE 6 88A 17 -60,-0.6 -60,-2.1 -2,-0.4 2,-0.3 -0.918 13.7-176.4-109.7 135.0 32.4 12.2 3.1 67 73 A E E -AE 5 87A 38 20,-2.2 20,-2.7 -2,-0.4 2,-0.4 -0.971 15.1-143.9-128.5 145.4 33.5 10.0 0.2 68 74 A V E -AE 4 86A 0 -64,-3.5 -64,-2.3 -2,-0.3 2,-0.5 -0.874 9.0-160.5-109.3 141.7 31.7 8.7 -2.9 69 75 A E E -AE 3 85A 10 16,-2.8 16,-2.5 -2,-0.4 -66,-0.2 -0.909 5.4-155.4-125.4 107.8 32.3 5.3 -4.3 70 76 A F E - E 0 84A 13 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.433 14.9-136.8 -73.1 149.3 31.2 4.6 -7.9 71 77 A D - 0 0 4 12,-0.6 41,-0.1 3,-0.2 -69,-0.1 -0.109 32.3 -91.7 -92.9-161.8 30.6 0.9 -8.9 72 78 A K S S+ 0 0 135 39,-0.6 40,-0.2 -71,-0.0 3,-0.1 0.568 102.0 62.1 -92.2 -7.4 31.7 -0.8 -12.2 73 79 A G S S- 0 0 16 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.089 106.9 -29.2 -96.0-156.1 28.6 -0.0 -14.3 74 80 A Q - 0 0 141 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.360 50.6-151.2 -61.4 149.6 27.0 3.2 -15.4 75 81 A R S S+ 0 0 138 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.434 74.6 43.5-104.6 -6.4 27.6 6.1 -13.0 76 82 A T B S-F 82 0A 73 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.982 73.4-137.8-136.9 145.5 24.4 8.1 -13.6 77 83 A D > - 0 0 28 4,-2.0 3,-1.9 -2,-0.3 -2,-0.1 -0.296 43.5 -84.3 -92.6-174.4 20.8 7.0 -13.9 78 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.657 127.3 59.0 -66.5 -10.3 18.2 8.3 -16.5 79 85 A Y T 3 S- 0 0 176 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.416 120.3-104.9 -97.4 3.1 17.4 11.2 -14.1 80 86 A G S < S+ 0 0 52 -3,-1.9 2,-0.4 1,-0.3 -53,-0.3 0.584 73.7 143.5 87.6 7.9 20.9 12.5 -14.1 81 87 A R - 0 0 63 -55,-0.1 -4,-2.0 -53,-0.1 -1,-0.3 -0.677 53.7-119.2 -88.8 136.9 21.6 11.2 -10.6 82 88 A G E -dF 28 76A 0 -55,-2.5 -53,-2.9 -2,-0.4 2,-0.6 -0.426 25.0-140.3 -64.4 146.0 25.1 9.8 -9.7 83 89 A L E +d 29 0A 24 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.947 43.6 127.5-113.7 111.1 24.9 6.2 -8.6 84 90 A A E -dE 30 70A 1 -55,-1.6 -53,-3.1 -2,-0.6 2,-0.5 -0.934 61.0 -99.9-156.1 173.8 27.1 5.3 -5.7 85 91 A Y E - 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