==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-01 1IHZ . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 66.9 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 . 34 25.0 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 . 8 5.9 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 . 27 19.9 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 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 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.2 -15.1 22.6 7.7 2 7 A L - 0 0 35 68,-0.1 2,-0.4 1,-0.0 70,-0.1 -0.289 360.0-155.6 -55.4 147.4 -12.4 24.9 6.4 3 8 A H - 0 0 96 68,-0.3 68,-0.6 69,-0.1 2,-0.4 -0.984 10.8-129.3-131.5 146.2 -13.9 28.1 4.9 4 9 A K E -A 70 0A 91 -2,-0.4 66,-0.2 66,-0.2 83,-0.0 -0.764 25.8-174.4 -91.0 128.8 -12.6 30.5 2.3 5 10 A E E -A 69 0A 28 64,-2.9 64,-3.0 -2,-0.4 2,-0.0 -0.934 27.4-101.5-122.9 154.5 -12.6 34.2 3.2 6 11 A P E +A 68 0A 101 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.223 38.9 171.7 -77.2 155.7 -11.7 37.2 0.9 7 12 A A E -A 67 0A 10 60,-1.9 60,-0.6 15,-0.1 2,-0.4 -0.982 23.2-133.1-153.0 163.3 -8.4 39.1 0.9 8 13 A T E -B 21 0A 96 13,-2.1 13,-2.9 -2,-0.3 2,-0.2 -0.973 25.6-115.3-127.3 138.6 -6.7 41.7 -1.2 9 14 A L E +B 20 0A 41 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.477 34.0 167.7 -72.6 137.2 -3.2 41.6 -2.5 10 15 A I E - 0 0 75 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.698 69.4 -27.9-104.3 -54.1 -0.8 44.3 -1.1 11 16 A K E -B 19 0A 134 8,-2.2 8,-2.9 0, 0.0 2,-0.5 -0.940 50.1-129.2-161.0 137.3 2.5 42.9 -2.3 12 17 A A E -B 18 0A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.780 21.4-172.4 -81.0 128.9 4.0 39.5 -3.1 13 18 A I - 0 0 51 4,-2.2 2,-0.2 -2,-0.5 5,-0.2 0.915 61.4 -39.5 -90.3 -47.6 7.3 39.3 -1.2 14 19 A D S S- 0 0 7 3,-1.8 3,-0.4 39,-0.1 -1,-0.3 -0.770 86.5 -53.1-150.6-157.9 8.6 36.1 -2.7 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.2 83,-0.1 0.794 131.7 14.8 -55.6 -38.0 7.3 32.7 -3.9 16 21 A D S S+ 0 0 4 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.357 111.5 75.2-129.1 13.1 5.6 31.8 -0.6 17 22 A T E + C 0 30A 15 -3,-0.4 -4,-2.2 13,-0.2 -3,-1.8 -0.996 55.0 172.5-133.9 126.9 5.3 35.0 1.5 18 23 A L E -BC 12 29A 0 11,-2.5 11,-3.7 -2,-0.4 2,-0.5 -0.918 32.0-133.0-135.5 151.2 2.8 37.7 0.8 19 24 A K E +BC 11 28A 81 -8,-2.9 -9,-2.5 -2,-0.3 -8,-2.2 -0.976 38.3 171.9-103.4 120.5 1.4 40.9 2.2 20 25 A L E -BC 9 27A 1 7,-2.6 7,-2.5 -2,-0.5 2,-0.6 -0.898 38.6-122.1-127.6 154.6 -2.4 40.9 2.1 21 26 A M E +BC 8 26A 64 -13,-2.9 -13,-2.1 -2,-0.3 2,-0.4 -0.884 40.1 175.3 -90.1 120.6 -5.2 43.0 3.4 22 27 A Y E > - C 0 25A 14 3,-2.7 3,-1.7 -2,-0.6 -15,-0.1 -0.991 66.3 -12.3-130.1 123.3 -7.3 40.7 5.5 23 28 A K T 3 S- 0 0 131 -17,-0.4 -1,-0.1 -2,-0.4 -16,-0.1 0.863 129.5 -55.1 56.0 32.1 -10.3 41.9 7.5 24 29 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.545 118.3 103.3 80.6 4.3 -9.2 45.5 6.9 25 30 A Q E < S-C 22 0A 86 -3,-1.7 -3,-2.7 2,-0.0 2,-0.4 -0.949 73.6-117.5-123.6 144.0 -5.7 45.0 8.3 26 31 A P E +C 21 0A 85 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.645 44.6 169.5 -74.7 130.7 -2.3 44.6 6.6 27 32 A M E -C 20 0A 43 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.997 35.8-125.1-142.2 145.1 -0.8 41.2 7.4 28 33 A T E -C 19 0A 40 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.770 30.6-163.9 -85.0 134.1 2.1 39.0 6.2 29 34 A F E -Cd 18 83A 5 -11,-3.7 -11,-2.5 -2,-0.4 2,-0.4 -0.938 9.5-158.1-120.6 145.1 0.9 35.5 5.2 30 35 A R E -Cd 17 84A 46 53,-2.9 55,-1.5 -2,-0.4 2,-0.2 -0.980 29.2-114.1-119.9 129.1 3.1 32.4 4.7 31 36 A L E > - d 0 85A 4 -15,-2.7 3,-0.7 -2,-0.4 55,-0.2 -0.490 31.9-120.3 -71.0 132.8 1.7 29.6 2.4 32 37 A L T 3 S+ 0 0 13 53,-2.2 55,-0.1 -2,-0.2 -1,-0.1 -0.450 82.2 2.9 -67.0 141.2 1.0 26.3 4.2 33 38 A L T 3 S+ 0 0 10 75,-0.2 74,-2.2 80,-0.1 2,-0.4 0.374 109.4 87.9 78.0 1.9 2.7 23.0 3.3 34 39 A V E < -H 106 0B 0 -3,-0.7 2,-0.4 72,-0.3 72,-0.2 -0.957 52.7-160.5-134.4 152.0 5.0 24.4 0.7 35 40 A D E -H 105 0B 49 70,-2.7 70,-2.2 -2,-0.4 3,-0.1 -0.954 8.7-163.4-127.9 118.3 8.5 25.9 0.4 36 41 A T - 0 0 5 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.655 39.3 -89.1 -89.7 154.5 9.6 27.9 -2.6 37 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.244 52.1-100.7 -61.5 149.4 13.3 28.5 -3.1 38 43 A E + 0 0 60 1,-0.1 9,-2.8 -24,-0.1 12,-0.3 -0.349 34.0 176.9 -71.3 150.5 14.8 31.6 -1.4 39 44 A T S S+ 0 0 33 7,-0.2 -1,-0.1 11,-0.2 10,-0.0 0.463 87.6 40.5-121.0 -17.9 15.5 35.0 -3.1 40 45 A K S S+ 0 0 140 6,-0.0 5,-0.1 10,-0.0 6,-0.1 0.008 73.7 157.3-121.0 23.0 16.6 36.8 0.1 41 46 A H - 0 0 39 4,-1.1 0, 0.0 3,-0.4 0, 0.0 -0.282 38.3-146.3 -56.6 126.3 18.6 34.1 1.9 42 47 A P S S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.893 98.5 38.1 -61.3 -37.5 21.0 35.9 4.2 43 48 A K S S+ 0 0 165 1,-0.3 2,-0.7 2,-0.1 -2,-0.0 0.988 128.1 21.8 -69.7 -86.9 23.5 33.2 3.5 44 49 A K S S- 0 0 152 1,-0.2 -3,-0.4 0, 0.0 -1,-0.3 -0.889 80.6-138.1-100.1 107.9 23.1 32.3 -0.2 45 50 A G S S- 0 0 38 -2,-0.7 -4,-1.1 -3,-0.2 2,-0.5 0.852 75.4 -0.6 -27.2-111.7 21.6 35.1 -2.2 46 51 A V S S- 0 0 78 -6,-0.1 -7,-0.2 4,-0.0 2,-0.2 -0.756 70.6-142.7 -96.4 139.8 19.1 33.6 -4.7 47 52 A E > - 0 0 79 -9,-2.8 3,-2.5 -2,-0.5 -2,-0.0 -0.596 42.1 -81.0 -84.0 155.0 18.5 29.9 -4.8 48 53 A K T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.347 120.2 14.6 -53.6 133.8 17.9 28.3 -8.2 49 54 A Y T 3> S+ 0 0 42 -3,-0.1 4,-2.7 -13,-0.1 5,-0.3 0.299 93.5 115.2 75.8 -2.8 14.3 28.8 -9.2 50 55 A G H <> S+ 0 0 0 -3,-2.5 4,-2.4 -12,-0.3 5,-0.2 0.965 79.3 42.3 -56.5 -54.7 13.8 31.5 -6.5 51 56 A P H > S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.909 115.2 52.1 -61.1 -40.7 13.1 34.3 -9.0 52 57 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 111.2 45.5 -58.4 -50.3 10.9 32.0 -11.1 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.942 112.8 51.4 -57.9 -47.4 8.8 30.9 -8.1 54 59 A S H X S+ 0 0 29 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.906 111.8 45.8 -63.3 -35.1 8.4 34.5 -7.0 55 60 A A H X S+ 0 0 30 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.879 109.1 56.1 -79.9 -29.1 7.3 35.7 -10.4 56 61 A F H X S+ 0 0 61 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.960 111.4 43.3 -60.3 -51.0 4.9 32.8 -10.8 57 62 A T H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.945 113.1 51.7 -59.1 -43.1 3.2 33.8 -7.5 58 63 A K H X S+ 0 0 82 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.956 112.3 45.9 -63.4 -44.9 3.3 37.5 -8.4 59 64 A K H X S+ 0 0 101 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.926 112.1 50.2 -60.7 -46.7 1.6 36.9 -11.8 60 65 A M H < S+ 0 0 41 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.909 118.3 38.3 -64.7 -37.4 -1.0 34.5 -10.5 61 66 A L H >< S+ 0 0 6 -4,-2.2 3,-1.2 -5,-0.3 -2,-0.2 0.905 114.4 51.3 -82.3 -37.7 -2.1 36.9 -7.8 62 67 A E H 3< S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.830 113.3 46.2 -68.9 -32.7 -1.8 40.2 -9.6 63 68 A N T 3< S+ 0 0 138 -4,-1.9 -1,-0.3 -5,-0.2 2,-0.2 0.264 90.6 114.1 -88.9 9.3 -3.9 39.0 -12.5 64 69 A A < - 0 0 25 -3,-1.2 3,-0.1 1,-0.1 -3,-0.1 -0.505 56.9-153.0 -84.5 149.5 -6.6 37.4 -10.3 65 70 A K S S+ 0 0 190 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.913 86.6 17.0 -76.4 -38.6 -10.2 38.6 -10.2 66 71 A K - 0 0 120 2,-0.0 24,-3.1 -58,-0.0 2,-0.4 -0.999 64.0-160.7-138.0 131.2 -10.7 37.3 -6.6 67 72 A L E -AE 7 89A 16 -60,-0.6 -60,-1.9 -2,-0.3 2,-0.4 -0.925 14.2-177.9-109.2 139.3 -8.2 36.2 -3.9 68 73 A E E -AE 6 88A 40 20,-2.2 20,-3.1 -2,-0.4 2,-0.3 -0.990 14.5-148.8-133.6 143.8 -9.3 34.1 -0.9 69 74 A V E -AE 5 87A 1 -64,-3.0 -64,-2.9 -2,-0.4 2,-0.4 -0.840 7.7-164.9-108.5 147.9 -7.5 32.7 2.1 70 75 A E E -AE 4 86A 6 16,-2.0 16,-2.9 -2,-0.3 2,-0.2 -0.954 8.3-152.7-131.9 109.2 -8.3 29.4 3.8 71 76 A F E - E 0 85A 14 -68,-0.6 -68,-0.3 -2,-0.4 14,-0.2 -0.530 17.3-128.6 -75.4 154.8 -7.0 28.7 7.2 72 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.072 34.9 -90.9 -87.7-165.4 -6.4 25.1 8.2 73 78 A K S S+ 0 0 130 39,-0.5 40,-0.1 -71,-0.0 3,-0.1 0.542 103.6 52.9 -93.4 -0.4 -7.8 23.6 11.5 74 79 A G S S- 0 0 19 1,-0.3 37,-0.1 38,-0.1 -3,-0.0 0.084 107.1 -12.0-105.9-145.3 -4.8 24.3 13.7 75 80 A Q - 0 0 114 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.367 50.6-160.4 -58.5 138.3 -2.7 27.5 14.6 76 81 A R S S+ 0 0 120 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.470 73.1 40.1-101.8 -9.8 -3.5 30.4 12.2 77 82 A T B S-F 83 0A 80 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.955 74.7-136.5-132.4 153.0 -0.4 32.4 12.8 78 83 A D > - 0 0 34 4,-2.0 3,-2.3 -2,-0.3 -2,-0.1 -0.404 42.3 -85.4 -98.7-174.0 3.2 31.4 13.3 79 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.665 128.5 55.6 -69.9 -13.5 5.8 32.6 15.8 80 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.351 121.0-106.7 -97.0 6.7 6.7 35.5 13.5 81 86 A G S < S+ 0 0 50 -3,-2.3 2,-0.4 1,-0.3 -53,-0.3 0.636 71.3 144.7 80.9 14.9 3.1 36.6 13.4 82 87 A R - 0 0 64 -55,-0.1 -4,-2.0 -53,-0.1 -1,-0.3 -0.709 53.6-115.7 -89.7 142.9 2.4 35.5 9.9 83 88 A G E -dF 29 77A 0 -55,-2.5 -53,-2.9 -2,-0.4 2,-0.6 -0.439 24.6-143.3 -68.1 141.6 -1.0 34.1 8.9 84 89 A L E +d 30 0A 27 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.935 42.5 132.8-110.4 111.0 -0.7 30.4 7.9 85 90 A A E -dE 31 71A 4 -55,-1.5 -53,-2.2 -2,-0.6 2,-0.4 -0.950 58.5-107.9-153.7 166.1 -3.1 29.7 5.0 86 91 A Y E - 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