==== 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(PHOSPHORIC DIESTER) 17-FEB-93 1STN . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.R.HYNES,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7950.0 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 . 37 27.2 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 . 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 . 13 9.6 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 1 0 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 6 A K 0 0 250 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.7 -2.2 39.3 22.5 2 7 A L - 0 0 44 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.699 360.0-163.9 -91.9 148.9 0.5 37.0 21.1 3 8 A H - 0 0 112 -2,-0.3 68,-0.5 68,-0.2 2,-0.4 -0.951 15.0-124.9-134.1 150.9 3.7 38.4 19.6 4 9 A K - 0 0 92 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.762 21.7-167.7 -93.9 139.5 6.5 37.0 17.3 5 10 A E E -A 69 0A 25 64,-2.6 64,-2.7 -2,-0.4 2,-0.0 -0.950 26.3-105.7-126.2 147.2 10.2 37.1 18.2 6 11 A P E +A 68 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.318 39.0 171.1 -71.3 152.9 13.2 36.4 16.0 7 12 A A E -A 67 0A 13 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.929 25.2-129.4-152.0 166.0 15.2 33.2 16.2 8 13 A T E -B 21 0A 95 13,-1.8 13,-3.3 -2,-0.3 2,-0.1 -0.989 27.9-111.9-125.3 135.8 18.0 31.6 14.1 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.409 35.7 167.4 -65.7 137.4 17.9 28.0 12.9 10 15 A I E - 0 0 72 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.746 67.3 -30.3-108.4 -60.0 20.5 25.6 14.4 11 16 A K E -B 19 0A 114 8,-2.0 8,-3.4 50,-0.0 2,-0.4 -0.949 47.0-125.3-163.0 142.1 19.1 22.3 13.2 12 17 A A E +B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.762 27.9 177.8 -87.4 128.7 15.8 20.5 12.2 13 18 A I E - 0 0 41 4,-1.9 2,-0.3 -2,-0.4 5,-0.2 0.814 57.6 -20.2-101.1 -42.0 15.5 17.3 14.3 14 19 A D E > S-B 17 0A 4 3,-2.1 3,-0.8 39,-0.1 -1,-0.3 -0.908 78.1 -77.9-157.2-179.8 12.2 15.8 13.2 15 20 A G T 3 S+ 0 0 0 -2,-0.3 23,-0.1 1,-0.3 83,-0.1 0.867 131.5 29.6 -56.5 -35.8 8.8 16.6 11.6 16 21 A D T 3 S+ 0 0 4 20,-0.1 15,-2.6 1,-0.1 2,-0.4 0.383 114.5 63.0-109.1 6.5 7.7 18.2 14.9 17 22 A T E < +BC 14 30A 9 -3,-0.8 -3,-2.1 13,-0.2 -4,-1.9 -0.999 48.7 174.0-138.0 134.9 11.0 19.4 16.6 18 23 A V E -BC 12 29A 1 11,-2.0 11,-3.8 -2,-0.4 2,-0.5 -0.970 25.0-135.4-135.4 148.2 13.6 22.0 15.6 19 24 A K E +BC 11 28A 82 -8,-3.4 -9,-2.3 -2,-0.3 -8,-2.0 -0.917 33.8 174.4-103.3 126.1 16.6 23.4 17.5 20 25 A L E -BC 9 27A 0 7,-3.1 7,-2.8 -2,-0.5 2,-0.7 -0.916 39.2-115.7-131.1 158.5 16.9 27.2 17.3 21 26 A M E -BC 8 26A 69 -13,-3.3 -13,-1.8 -2,-0.3 2,-0.5 -0.866 41.5-177.9 -91.2 116.6 19.1 30.0 18.8 22 27 A Y E > - C 0 25A 25 3,-3.1 3,-1.1 -2,-0.7 -15,-0.1 -0.974 65.4 -17.9-127.3 113.0 16.6 32.0 20.9 23 28 A K T 3 S- 0 0 160 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.954 131.6 -47.3 54.6 55.0 17.7 35.1 22.7 24 29 A G T 3 S+ 0 0 73 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.1 0.454 122.5 94.0 69.3 6.3 21.4 34.1 22.4 25 30 A Q E < S-C 22 0A 114 -3,-1.1 -3,-3.1 -5,-0.0 2,-0.2 -0.987 74.6-116.1-135.3 143.6 20.9 30.5 23.6 26 31 A P E +C 21 0A 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.526 41.4 167.1 -71.7 134.5 20.3 27.2 21.8 27 32 A M E -C 20 0A 38 -7,-2.8 -7,-3.1 -2,-0.2 2,-0.4 -0.968 33.7-125.7-147.2 153.3 16.9 25.6 22.6 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.832 27.1-157.0 -99.8 134.4 14.8 22.7 21.1 29 34 A F E -Cd 18 83A 0 -11,-3.8 -11,-2.0 -2,-0.4 2,-0.5 -0.942 8.5-153.9-116.0 139.1 11.2 23.6 20.2 30 35 A R E -Cd 17 84A 33 53,-3.2 55,-1.4 -2,-0.4 2,-0.4 -0.913 32.4-113.9-105.0 130.7 8.3 21.3 19.8 31 36 A L E > - d 0 85A 1 -15,-2.6 3,-1.0 -2,-0.5 55,-0.2 -0.566 35.1-119.9 -68.1 124.2 5.6 22.6 17.4 32 37 A L T 3 S+ 0 0 14 53,-2.4 55,-0.1 -2,-0.4 -1,-0.1 -0.293 81.8 4.9 -66.3 146.3 2.4 23.4 19.3 33 38 A L T 3 S+ 0 0 13 75,-0.2 74,-2.3 1,-0.1 2,-0.4 0.381 103.9 97.4 64.9 8.1 -0.9 21.6 18.5 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.961 50.3-160.1-128.9 150.4 0.3 19.1 15.9 35 40 A D E -H 105 0B 77 70,-2.7 70,-2.5 -2,-0.4 3,-0.0 -0.995 17.6-173.4-120.5 119.7 1.3 15.5 15.9 36 41 A T - 0 0 8 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.752 37.8 -96.2-107.0 158.9 3.4 14.4 12.9 37 42 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.478 54.5-136.2 -66.2 140.6 4.5 10.8 12.1 38 43 A E - 0 0 46 -2,-0.1 9,-2.9 1,-0.1 12,-0.3 -0.728 29.7-160.5-109.4 159.3 8.0 10.5 13.6 39 44 A T S S+ 0 0 28 -2,-0.3 -1,-0.1 11,-0.3 -25,-0.0 0.497 102.4 44.9-105.1 -17.2 11.3 9.1 12.5 40 45 A K S S+ 0 0 121 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.416 78.8 163.5-125.1 52.2 12.5 9.0 16.1 41 46 A H B > -I 45 0C 42 4,-3.4 4,-1.8 -3,-0.2 5,-0.0 -0.576 41.4-130.9 -72.2 129.8 9.3 7.5 17.6 42 47 A P T 4 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.738 99.1 16.8 -56.3 -31.6 10.2 6.2 21.0 43 48 A K T 4 S+ 0 0 201 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.747 136.8 34.4-108.7 -43.4 8.6 2.7 20.5 44 49 A K T 4 S- 0 0 142 1,-0.2 2,-0.9 -4,-0.0 -4,-0.0 0.691 80.8-157.2 -89.7 -24.6 8.2 2.4 16.8 45 50 A G B < S+I 41 0C 29 -4,-1.8 -4,-3.4 2,-0.0 2,-0.6 -0.758 72.5 20.9 84.1-108.6 11.2 4.3 15.4 46 51 A V S S- 0 0 95 -2,-0.9 -7,-0.2 -6,-0.2 2,-0.1 -0.899 75.7-167.1-103.3 112.1 10.3 5.4 11.8 47 52 A E > - 0 0 42 -9,-2.9 3,-1.9 -2,-0.6 2,-0.2 -0.404 37.9 -78.0 -91.0 165.9 6.6 5.6 11.1 48 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.457 122.1 14.4 -66.2 127.7 4.9 5.9 7.7 49 54 A Y T 3> S+ 0 0 42 -2,-0.2 4,-2.4 -3,-0.1 -1,-0.3 0.352 96.9 114.9 83.4 -0.8 5.1 9.5 6.4 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.5 -12,-0.3 -11,-0.3 0.942 76.0 44.2 -60.8 -52.3 7.7 10.1 9.1 51 56 A P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 114.4 51.6 -62.9 -38.6 10.5 10.8 6.6 52 57 A E H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 110.7 45.0 -66.0 -44.7 8.2 13.0 4.5 53 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.902 113.4 53.6 -67.4 -37.5 7.0 15.2 7.4 54 59 A S H X S+ 0 0 25 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.914 109.9 45.1 -61.9 -46.0 10.6 15.4 8.5 55 60 A A H X S+ 0 0 58 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.884 110.3 56.3 -67.5 -37.8 11.8 16.6 5.1 56 61 A F H X S+ 0 0 58 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.967 109.9 43.0 -57.6 -56.1 8.9 19.1 4.9 57 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.936 114.5 51.4 -54.9 -49.5 9.8 20.9 8.2 58 63 A K H X S+ 0 0 90 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.929 111.2 46.8 -56.2 -50.2 13.6 20.9 7.4 59 64 A K H X S+ 0 0 144 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.915 110.9 53.1 -58.9 -46.0 13.1 22.4 3.9 60 65 A M H < S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.897 117.1 35.6 -61.6 -41.4 10.7 25.0 5.2 61 66 A V H >< S+ 0 0 4 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.831 114.5 54.9 -83.2 -30.8 13.1 26.3 7.9 62 67 A E H 3< S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.816 110.4 46.7 -73.0 -29.0 16.3 25.9 6.1 63 68 A N T 3< S+ 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.375 89.5 111.0 -90.9 0.5 15.2 27.9 3.2 64 69 A A < - 0 0 24 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.0 -0.492 55.0-154.6 -80.2 153.9 13.7 30.8 5.1 65 70 A K S S+ 0 0 183 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.780 87.7 21.7 -86.2 -38.9 15.1 34.3 5.3 66 71 A K - 0 0 140 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.989 64.0-164.9-134.5 130.5 13.5 34.9 8.7 67 72 A I E -AE 7 89A 13 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.926 12.6-175.7-110.5 140.3 12.3 32.6 11.4 68 73 A E E -AE 6 88A 56 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.949 12.9-149.4-133.4 148.0 10.0 33.8 14.2 69 74 A V E -AE 5 87A 0 -64,-2.7 -64,-2.6 -2,-0.3 2,-0.4 -0.922 8.0-167.9-115.0 145.3 8.7 32.0 17.3 70 75 A E E - E 0 86A 7 16,-2.2 16,-2.6 -2,-0.4 2,-0.2 -0.964 9.2-153.2-135.6 111.6 5.3 32.8 18.9 71 76 A F E - E 0 85A 18 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.499 16.0-131.1 -79.3 155.5 4.5 31.4 22.3 72 77 A D - 0 0 3 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.115 35.2 -86.7 -90.2-163.1 0.8 30.8 23.3 73 78 A K S S+ 0 0 134 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.553 103.5 53.0 -84.9 -12.3 -0.9 32.0 26.5 74 79 A G S S- 0 0 18 1,-0.3 37,-0.1 36,-0.1 -3,-0.0 0.100 107.3 -17.3-101.6-145.3 -0.1 29.0 28.8 75 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.257 49.3-155.2 -62.0 144.7 3.1 27.2 29.7 76 81 A R S S+ 0 0 126 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.503 73.3 44.9-100.2 -8.6 6.0 27.8 27.3 77 82 A T B S-F 83 0A 79 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.970 71.7-138.0-133.6 149.8 8.1 24.6 27.9 78 83 A D > - 0 0 34 4,-2.3 3,-2.1 -2,-0.3 -2,-0.1 -0.339 44.8 -83.0 -92.6-173.5 7.0 20.9 28.2 79 84 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.591 128.7 55.4 -67.7 -12.3 8.3 18.3 30.6 80 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.304 119.7-106.4-100.8 2.7 11.4 17.6 28.5 81 86 A G S < S+ 0 0 46 -3,-2.1 2,-0.3 1,-0.3 -53,-0.3 0.591 72.6 142.9 84.8 11.0 12.4 21.3 28.5 82 87 A R - 0 0 63 -55,-0.1 -4,-2.3 -53,-0.1 -1,-0.3 -0.666 55.1-115.1 -83.8 144.9 11.4 21.9 24.9 83 88 A G E -dF 29 77A 0 -55,-2.5 -53,-3.2 -2,-0.3 2,-0.6 -0.459 23.5-141.0 -73.1 146.1 9.8 25.3 24.0 84 89 A L E +d 30 0A 27 -8,-2.5 -12,-0.5 -55,-0.2 2,-0.3 -0.963 45.2 128.5-112.7 110.2 6.1 25.1 22.9 85 90 A A E -dE 31 71A 0 -55,-1.4 -53,-2.4 -2,-0.6 2,-0.4 -0.959 62.4-105.0-154.4 171.0 5.4 27.5 20.1 86 91 A Y E - 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