==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-96 1SNO . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.M.TRUCKSES,J.R.SOMOZA,J.L.MARKLEY . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 26.5 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 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 . 3 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 6 A K 0 0 259 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.4 21.7 -15.1 -24.1 2 7 A L - 0 0 47 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.662 360.0-162.2 -87.7 149.5 24.2 -12.5 -22.9 3 8 A H - 0 0 115 -2,-0.3 68,-0.5 68,-0.2 2,-0.2 -0.982 15.1-118.5-136.6 150.2 27.3 -14.0 -21.2 4 9 A K E -A 70 0A 84 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.550 24.4-167.3 -84.3 149.8 30.0 -12.7 -18.9 5 10 A E E -A 69 0A 23 64,-1.9 64,-2.7 -2,-0.2 -2,-0.0 -0.998 24.9-108.9-137.7 139.7 33.7 -12.7 -19.8 6 11 A P E +A 68 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.292 39.2 168.5 -68.0 149.2 36.8 -12.1 -17.6 7 12 A A E -A 67 0A 12 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.927 26.7-128.4-149.9 167.8 38.8 -8.9 -17.9 8 13 A T E -B 21 0A 95 13,-1.5 13,-2.8 -2,-0.3 2,-0.1 -0.988 26.6-112.5-127.3 135.3 41.5 -7.3 -15.8 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.431 36.1 167.0 -68.4 134.5 41.5 -3.7 -14.6 10 15 A I E - 0 0 73 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.697 68.3 -26.5-107.0 -54.3 44.1 -1.4 -16.1 11 16 A K E -B 19 0A 111 8,-1.9 8,-3.4 50,-0.0 2,-0.4 -0.949 50.3-126.0-167.4 133.8 42.8 1.9 -14.9 12 17 A A E -B 18 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.720 28.1-179.1 -80.2 131.6 39.5 3.6 -13.8 13 18 A I - 0 0 37 4,-2.1 2,-0.3 -2,-0.4 5,-0.2 0.820 55.3 -27.1-102.0 -44.3 39.1 6.8 -15.9 14 19 A D S S- 0 0 5 3,-2.3 -1,-0.4 39,-0.1 3,-0.3 -0.886 77.9 -75.5-157.0-175.7 35.9 8.4 -14.9 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.886 132.4 29.8 -60.3 -35.1 32.5 7.5 -13.3 16 21 A D S S+ 0 0 4 20,-0.1 15,-2.8 21,-0.1 2,-0.4 0.443 115.4 64.2-104.6 -0.7 31.3 6.1 -16.7 17 22 A T E + C 0 30A 10 -3,-0.3 -3,-2.3 13,-0.2 -4,-2.1 -0.984 49.4 170.6-134.2 133.6 34.6 4.9 -18.2 18 23 A V E -BC 12 29A 1 11,-2.2 11,-3.1 -2,-0.4 2,-0.5 -0.993 26.8-134.3-138.2 141.7 37.2 2.2 -17.3 19 24 A K E +BC 11 28A 78 -8,-3.4 -9,-2.3 -2,-0.3 -8,-1.9 -0.879 33.3 176.4 -98.7 128.4 40.2 0.8 -19.2 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.9 -2,-0.5 2,-0.8 -0.857 38.0-117.8-128.9 160.4 40.4 -3.0 -19.1 21 26 A M E -BC 8 26A 70 -13,-2.8 -13,-1.5 -2,-0.3 2,-0.5 -0.911 41.4-179.4 -97.9 106.7 42.6 -5.7 -20.5 22 27 A Y E > - C 0 25A 18 3,-2.6 3,-1.7 -2,-0.8 -15,-0.1 -0.971 66.1 -14.5-115.7 121.2 40.1 -7.7 -22.6 23 28 A K T 3 S- 0 0 149 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.938 129.0 -54.2 54.1 45.7 41.3 -10.7 -24.5 24 29 A G T 3 S+ 0 0 67 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.460 120.5 101.6 72.0 0.4 44.9 -9.7 -24.0 25 30 A Q E < S-C 22 0A 111 -3,-1.7 -3,-2.6 2,-0.0 2,-0.2 -0.962 74.3-118.0-123.1 134.1 44.4 -6.2 -25.5 26 31 A P E +C 21 0A 88 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.471 43.6 167.5 -65.5 133.2 44.0 -2.9 -23.6 27 32 A M E -C 20 0A 40 -7,-2.9 -7,-2.7 -2,-0.2 2,-0.4 -0.990 35.1-123.3-149.4 152.0 40.6 -1.3 -24.3 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.838 27.6-157.8 -97.5 131.2 38.5 1.6 -23.0 29 34 A F E -Cd 18 83A 0 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.5 -0.949 8.1-155.7-115.8 133.4 35.0 0.6 -21.8 30 35 A R E -Cd 17 84A 34 53,-3.0 55,-1.5 -2,-0.4 2,-0.5 -0.909 31.9-114.8-103.4 125.8 32.0 2.9 -21.6 31 36 A L E > - d 0 85A 1 -15,-2.8 3,-1.1 -2,-0.5 55,-0.2 -0.475 35.9-120.7 -66.0 117.1 29.4 1.7 -19.1 32 37 A L T 3 S+ 0 0 13 53,-2.5 55,-0.1 -2,-0.5 -1,-0.1 -0.227 81.3 4.9 -60.1 144.7 26.2 0.9 -21.0 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.4 80,-0.1 2,-0.4 0.435 104.1 98.9 64.1 7.1 22.8 2.6 -20.2 34 39 A V E < -H 106 0B 0 -3,-1.1 2,-0.5 72,-0.3 72,-0.2 -0.950 50.2-161.1-129.3 146.7 24.0 5.1 -17.6 35 40 A D E -H 105 0B 78 70,-2.8 70,-2.4 -2,-0.4 -3,-0.0 -0.992 18.9-173.8-120.9 119.6 25.0 8.7 -17.6 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.749 37.6 -95.2-110.6 156.3 27.1 9.8 -14.7 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.521 54.0-139.6 -66.2 143.0 28.1 13.3 -13.7 38 43 A E - 0 0 45 -2,-0.1 9,-3.4 1,-0.1 12,-0.3 -0.752 30.6-161.9-111.2 156.8 31.6 13.6 -15.2 39 44 A T S S+ 0 0 29 7,-0.3 -1,-0.1 -2,-0.3 -25,-0.1 0.522 100.8 48.3-101.9 -17.2 34.9 15.1 -14.1 40 45 A K S S+ 0 0 115 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.332 75.8 161.1-118.7 47.9 36.1 15.1 -17.8 41 46 A H B > -I 45 0C 32 4,-2.8 4,-2.0 -3,-0.2 5,-0.0 -0.583 42.0-133.6 -72.8 128.2 33.1 16.6 -19.4 42 47 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.802 101.9 19.3 -50.9 -35.5 34.0 17.9 -22.9 43 48 A K T 4 S+ 0 0 167 2,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 0.725 137.3 30.1-108.7 -26.4 32.2 21.3 -22.3 44 49 A K T 4 S- 0 0 135 1,-0.2 2,-0.7 0, 0.0 -4,-0.0 0.651 79.4-158.0-109.8 -20.1 31.9 21.6 -18.5 45 50 A G B < S+I 41 0C 28 -4,-2.0 -4,-2.8 2,-0.0 2,-0.6 -0.690 71.0 23.9 79.8-114.8 34.8 19.7 -17.1 46 51 A V S S- 0 0 93 -2,-0.7 -7,-0.3 -6,-0.2 2,-0.2 -0.792 77.1-163.6 -92.3 118.8 34.0 18.6 -13.5 47 52 A E > - 0 0 41 -9,-3.4 3,-1.7 -2,-0.6 2,-0.2 -0.477 36.4 -79.1 -94.9 166.7 30.3 18.4 -12.8 48 53 A K T 3 S+ 0 0 143 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 -0.491 122.1 10.6 -65.5 133.6 28.5 18.3 -9.4 49 54 A Y T 3> S+ 0 0 47 -2,-0.2 4,-2.7 -3,-0.1 -1,-0.3 0.360 97.2 116.1 73.9 -1.7 28.8 14.7 -8.0 50 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.2 -12,-0.3 -11,-0.3 0.913 75.7 46.1 -61.4 -47.8 31.3 14.0 -10.8 51 56 A P H > S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.876 113.6 50.7 -63.3 -37.1 34.2 13.4 -8.3 52 57 A E H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.932 111.8 44.9 -65.7 -47.5 31.8 11.2 -6.2 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.898 113.5 52.5 -63.8 -38.5 30.7 9.0 -9.1 54 59 A S H X S+ 0 0 26 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.902 110.8 45.3 -65.0 -43.3 34.3 8.7 -10.2 55 60 A A H X S+ 0 0 41 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.856 110.7 55.3 -70.3 -32.9 35.5 7.6 -6.8 56 61 A F H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.953 111.3 42.4 -64.5 -50.3 32.7 5.1 -6.5 57 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.944 115.1 50.9 -61.3 -46.5 33.5 3.4 -9.8 58 63 A K H X S+ 0 0 91 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.931 111.9 46.7 -57.3 -49.2 37.2 3.4 -9.0 59 64 A K H X S+ 0 0 123 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.928 112.4 51.0 -59.6 -46.1 36.7 1.9 -5.6 60 65 A M H < S+ 0 0 38 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.912 116.9 37.5 -61.6 -44.8 34.4 -0.7 -7.0 61 66 A V H >< S+ 0 0 4 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.887 114.7 53.5 -78.6 -34.2 36.7 -1.9 -9.7 62 67 A E H 3< S+ 0 0 90 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.801 111.8 44.4 -71.0 -28.5 40.0 -1.6 -7.8 63 68 A N T 3< S+ 0 0 125 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.416 88.8 111.7 -97.1 2.6 38.9 -3.7 -4.9 64 69 A A < - 0 0 23 -3,-0.8 3,-0.2 -4,-0.3 -3,-0.0 -0.418 55.0-155.0 -78.0 148.0 37.2 -6.5 -6.9 65 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.792 87.1 26.2 -85.9 -35.9 38.7 -10.0 -7.0 66 71 A K - 0 0 142 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.990 65.3-166.7-135.2 129.7 37.0 -10.6 -10.4 67 72 A I E -AE 7 89A 15 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.4 -0.925 12.3-178.3-114.2 132.9 36.0 -8.2 -13.1 68 73 A E E -AE 6 88A 58 20,-2.2 20,-3.2 -2,-0.4 2,-0.4 -0.974 13.9-149.7-132.3 145.3 33.7 -9.4 -15.9 69 74 A V E -AE 5 87A 0 -64,-2.7 -64,-1.9 -2,-0.4 2,-0.4 -0.911 7.2-164.9-113.5 144.8 32.3 -7.6 -19.0 70 75 A E E -AE 4 86A 7 16,-2.2 16,-2.6 -2,-0.4 -66,-0.2 -0.954 7.3-154.1-135.6 109.5 29.0 -8.4 -20.5 71 76 A F E - E 0 85A 15 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.446 16.1-131.2 -77.0 154.1 28.2 -7.1 -24.0 72 77 A D - 0 0 3 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.277 34.4 -85.3 -92.9-169.1 24.6 -6.6 -25.0 73 78 A K S S+ 0 0 120 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.565 104.4 45.4 -74.0 -18.6 22.8 -7.8 -28.2 74 79 A G S S- 0 0 19 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.088 107.7 -11.0-104.2-144.9 23.8 -4.9 -30.5 75 80 A Q - 0 0 131 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.2 -0.285 50.3-158.1 -53.8 139.7 26.9 -2.9 -31.4 76 81 A R S S+ 0 0 131 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.436 71.9 42.9-102.7 -4.0 29.8 -3.6 -29.0 77 82 A T B S-F 83 0A 79 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.993 73.5-136.9-140.2 145.7 31.8 -0.4 -29.5 78 83 A D > - 0 0 35 4,-2.6 3,-2.0 -2,-0.3 -2,-0.1 -0.274 43.6 -78.8 -89.9-170.7 30.8 3.2 -29.8 79 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.705 129.8 50.9 -58.5 -29.3 31.9 6.0 -32.2 80 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.329 121.1-103.9 -96.3 9.1 35.1 6.6 -30.2 81 86 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -53,-0.3 0.601 72.8 145.8 80.3 10.9 36.1 2.9 -30.2 82 87 A R - 0 0 61 -55,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.662 53.5-115.6 -83.4 135.4 35.0 2.4 -26.6 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.0 -2,-0.3 2,-0.7 -0.403 24.2-138.9 -65.3 144.5 33.6 -1.1 -25.8 84 89 A L E +d 30 0A 28 -8,-2.6 -12,-0.5 -55,-0.2 2,-0.3 -0.924 44.8 131.9-110.9 111.4 29.9 -0.9 -24.7 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.5 -2,-0.7 2,-0.5 -0.949 60.9-107.5-156.7 167.8 29.2 -3.2 -21.8 86 91 A Y E - 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