==== 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 2F0M . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.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) . 7868.0 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 . 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 . 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 20.6 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 0 200 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 49.8 8.9 8.5 2 7 A L - 0 0 23 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.479 360.0-168.5 -69.9 146.9 47.5 11.5 7.0 3 8 A H - 0 0 107 68,-0.3 68,-0.5 -2,-0.1 2,-0.3 -0.987 18.3-119.4-137.6 149.1 44.4 10.0 5.4 4 9 A K - 0 0 85 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.610 23.1-169.7 -84.0 140.9 41.6 11.3 3.2 5 10 A E E -A 69 0A 28 64,-2.3 64,-3.6 -2,-0.3 -2,-0.0 -0.987 27.2-107.7-128.9 144.8 38.0 11.4 4.1 6 11 A P E +A 68 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.222 36.9 175.8 -73.3 160.3 35.1 12.2 1.8 7 12 A A E -A 67 0A 12 60,-1.9 60,-0.6 15,-0.1 2,-0.5 -0.949 24.8-127.9-156.4 160.6 33.0 15.3 2.0 8 13 A T E -B 21 0A 97 13,-1.9 13,-3.0 -2,-0.3 2,-0.2 -0.985 26.9-120.1-124.0 128.5 30.2 17.0 0.0 9 14 A L E +B 20 0A 42 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.359 33.1 170.1 -65.3 131.2 30.5 20.5 -1.2 10 15 A I E - 0 0 74 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.801 66.9 -21.8 -99.9 -56.6 27.8 22.8 0.1 11 16 A K E -B 19 0A 135 8,-2.3 8,-3.5 0, 0.0 2,-0.5 -0.973 52.2-129.3-154.7 136.0 29.0 26.2 -1.0 12 17 A A E +B 18 0A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.787 28.5 177.7 -82.7 127.5 32.3 27.7 -2.1 13 18 A I E - 0 0 51 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.832 55.9 -20.1-102.9 -43.8 32.7 31.0 -0.1 14 19 A D E > S-B 17 0A 7 3,-2.4 3,-0.5 25,-0.1 -1,-0.3 -0.863 79.7 -76.1-151.9-175.8 36.1 32.4 -1.1 15 20 A G T 3 S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.3 83,-0.1 0.830 132.5 22.4 -56.2 -33.3 39.4 31.5 -2.6 16 21 A D T 3 S+ 0 0 7 20,-0.1 15,-2.7 21,-0.1 2,-0.4 0.307 114.5 71.2-122.3 9.0 40.4 29.8 0.6 17 22 A T E < +BC 14 30A 13 -3,-0.5 -3,-2.4 13,-0.2 -4,-2.2 -0.983 50.0 171.6-137.2 130.5 37.1 29.0 2.4 18 23 A L E -BC 12 29A 1 11,-2.1 11,-3.4 -2,-0.4 2,-0.6 -0.980 29.4-132.7-134.5 147.7 34.4 26.5 1.7 19 24 A K E +BC 11 28A 86 -8,-3.5 -9,-2.6 -2,-0.3 -8,-2.3 -0.942 37.5 173.7 -98.6 124.1 31.3 25.1 3.3 20 25 A L E -BC 9 27A 0 7,-2.2 7,-2.8 -2,-0.6 2,-0.7 -0.883 37.6-121.7-125.4 151.6 31.3 21.3 3.2 21 26 A M E -BC 8 26A 72 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.5 -0.888 38.6-179.4 -89.0 112.5 29.1 18.5 4.6 22 27 A Y E > - C 0 25A 13 3,-3.2 3,-1.8 -2,-0.7 -15,-0.1 -0.977 65.9 -20.0-125.9 117.3 31.6 16.4 6.7 23 28 A K T 3 S- 0 0 147 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.919 130.1 -49.3 49.1 51.4 30.4 13.3 8.5 24 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -17,-0.0 0.363 119.1 107.9 72.9 -0.6 26.8 14.6 8.3 25 30 A Q E < -C 22 0A 119 -3,-1.8 -3,-3.2 2,-0.0 2,-0.3 -0.921 67.6-131.6-111.1 130.7 27.6 18.1 9.6 26 31 A P E +C 21 0A 69 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.622 43.2 166.1 -71.8 132.6 27.7 21.3 7.6 27 32 A M E -C 20 0A 46 -7,-2.8 -7,-2.2 -2,-0.3 2,-0.4 -0.989 38.5-117.4-150.0 152.1 31.0 23.0 8.5 28 33 A T E -C 19 0A 37 53,-0.3 55,-3.0 -2,-0.3 2,-0.4 -0.818 30.2-161.4 -93.0 134.2 33.3 25.8 7.2 29 34 A F E -Cd 18 83A 2 -11,-3.4 -11,-2.1 -2,-0.4 2,-0.5 -0.928 7.7-154.5-116.7 142.0 36.8 24.7 6.1 30 35 A R E -Cd 17 84A 38 53,-3.2 55,-1.8 -2,-0.4 2,-0.4 -0.963 30.6-113.3-112.8 129.0 39.8 27.0 5.7 31 36 A L E > - d 0 85A 2 -15,-2.7 3,-0.9 -2,-0.5 55,-0.2 -0.543 36.3-119.5 -65.7 122.8 42.4 25.8 3.3 32 37 A L T 3 S+ 0 0 14 53,-2.6 55,-0.1 -2,-0.4 -1,-0.1 -0.324 82.6 1.3 -59.1 135.4 45.6 24.9 5.2 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.5 80,-0.1 2,-0.4 0.397 104.7 98.9 73.7 6.0 48.9 26.7 4.4 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.961 50.1-159.9-127.8 144.9 47.7 29.2 1.8 35 40 A D E -H 105 0B 73 70,-2.5 70,-2.4 -2,-0.4 3,-0.0 -0.982 16.3-171.2-115.9 119.0 46.7 32.8 1.7 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.712 35.7 -94.5-100.9 157.8 44.5 33.9 -1.3 37 42 A P - 0 0 13 0, 0.0 -22,-0.4 0, 0.0 2,-0.3 -0.423 54.6-120.2 -67.0 149.1 43.6 37.4 -2.1 38 43 A E + 0 0 47 1,-0.1 9,-3.9 -24,-0.1 12,-0.3 -0.756 38.5 177.2-109.4 149.1 40.2 38.2 -0.7 39 44 A T S S+ 0 0 42 -2,-0.3 2,-1.2 7,-0.3 -1,-0.1 0.615 96.0 47.1 -99.6 -45.6 36.8 39.2 -1.7 40 45 A K S S+ 0 0 150 10,-0.1 6,-0.1 -27,-0.1 -1,-0.1 -0.459 86.2 158.4 -96.2 65.5 35.2 39.1 1.8 41 46 A H B > -I 45 0C 43 -2,-1.2 4,-0.9 4,-1.0 5,-0.0 -0.777 45.3-133.0 -99.3 132.3 38.1 41.0 3.3 42 47 A P T 4 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.871 94.4 7.8 -43.6 -55.8 37.8 42.9 6.6 43 48 A K T 4 S+ 0 0 163 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.842 131.5 36.8-109.7 -33.8 39.4 46.2 5.5 44 49 A K T 4 S- 0 0 159 1,-0.2 2,-0.7 -4,-0.0 -1,-0.1 0.676 81.7-150.8 -98.3 -9.9 40.2 46.4 1.8 45 50 A G B < S+I 41 0C 28 -4,-0.9 -4,-1.0 2,-0.0 2,-0.8 -0.727 71.0 19.4 87.3-112.1 37.2 44.6 0.3 46 51 A V S S- 0 0 96 -2,-0.7 -7,-0.3 -6,-0.1 2,-0.2 -0.826 75.0-160.2 -97.5 108.1 38.1 43.0 -3.0 47 52 A E > - 0 0 64 -9,-3.9 3,-2.3 -2,-0.8 2,-0.1 -0.521 38.0 -81.7 -81.4 156.8 41.9 42.6 -3.4 48 53 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.367 120.0 14.2 -58.4 132.6 43.4 42.1 -6.8 49 54 A Y T 3> S+ 0 0 53 -3,-0.1 4,-3.3 -12,-0.1 5,-0.3 0.229 96.5 112.9 77.9 -6.2 43.1 38.5 -8.0 50 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.6 -12,-0.3 -11,-0.3 0.977 78.8 44.4 -52.4 -58.1 40.6 37.9 -5.1 51 56 A P H > S+ 0 0 62 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 115.8 48.2 -57.2 -40.8 37.8 37.4 -7.7 52 57 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.9 48.8 -66.4 -43.5 40.0 35.1 -9.8 53 58 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.940 112.9 49.9 -60.4 -42.0 41.2 33.0 -6.8 54 59 A S H X S+ 0 0 25 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.888 109.3 49.8 -65.8 -39.7 37.6 32.7 -5.7 55 60 A A H X S+ 0 0 46 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.856 109.4 53.9 -68.7 -31.5 36.4 31.6 -9.2 56 61 A F H X S+ 0 0 43 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.958 110.2 43.2 -68.0 -51.1 39.2 29.0 -9.4 57 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.4 0.963 114.6 52.3 -58.9 -44.9 38.4 27.2 -6.1 58 63 A K H X S+ 0 0 92 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.952 113.1 42.8 -56.9 -48.6 34.7 27.4 -7.0 59 64 A K H X S+ 0 0 114 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.930 112.7 52.8 -65.5 -44.4 35.2 25.8 -10.4 60 65 A M H < S+ 0 0 36 -4,-2.8 4,-0.2 -5,-0.2 -1,-0.2 0.949 118.4 34.4 -58.0 -50.3 37.6 23.2 -9.2 61 66 A V H >< S+ 0 0 4 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.832 115.9 54.3 -76.6 -33.9 35.4 21.9 -6.4 62 67 A E H 3< S+ 0 0 94 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.878 110.1 47.6 -69.2 -30.9 32.1 22.4 -8.2 63 68 A N T 3< S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.398 90.7 111.9 -89.0 1.9 33.2 20.3 -11.2 64 69 A A < - 0 0 24 -3,-0.9 3,-0.2 -4,-0.2 -3,-0.1 -0.429 56.8-154.3 -80.3 143.4 34.6 17.4 -9.2 65 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.885 89.5 25.0 -75.0 -37.1 33.2 13.9 -9.0 66 71 A K - 0 0 138 -58,-0.0 24,-3.6 2,-0.0 2,-0.4 -0.999 63.6-168.6-134.3 130.5 34.8 13.5 -5.6 67 72 A V E -AE 7 89A 14 -60,-0.6 -60,-1.9 -2,-0.4 2,-0.3 -0.965 14.6-179.0-114.4 129.0 35.8 15.9 -2.9 68 73 A E E -AE 6 88A 45 20,-2.5 20,-3.2 -2,-0.4 2,-0.4 -0.968 16.9-142.9-128.7 149.8 37.9 14.7 0.0 69 74 A V E -AE 5 87A 0 -64,-3.6 -64,-2.3 -2,-0.3 2,-0.5 -0.895 8.3-162.6-111.0 141.7 39.3 16.4 3.1 70 75 A E E - E 0 86A 4 16,-2.7 16,-3.0 -2,-0.4 2,-0.2 -0.941 7.8-153.8-125.8 109.2 42.7 15.7 4.6 71 76 A F E - E 0 85A 13 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.483 14.7-135.0 -72.0 144.2 43.4 16.8 8.2 72 77 A D - 0 0 5 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.105 32.2 -95.7 -85.9-166.8 47.1 17.5 9.2 73 78 A K S S+ 0 0 121 39,-0.5 40,-0.1 -2,-0.0 3,-0.1 0.427 101.0 62.5 -98.1 8.8 48.6 16.2 12.4 74 79 A G S S- 0 0 21 1,-0.3 37,-0.1 38,-0.1 2,-0.1 0.087 107.0 -21.7-100.5-144.1 48.0 19.4 14.6 75 80 A Q - 0 0 140 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.358 52.4-154.6 -60.3 141.7 44.8 21.2 15.6 76 81 A R S S+ 0 0 120 1,-0.1 8,-2.7 -3,-0.1 2,-0.3 0.631 73.4 37.2-103.4 -11.3 41.9 20.4 13.3 77 82 A T B S-F 83 0A 75 6,-0.3 6,-0.2 -48,-0.1 -1,-0.1 -0.984 74.1-135.4-131.9 154.3 39.8 23.5 13.8 78 83 A D > - 0 0 32 4,-2.2 3,-2.0 -2,-0.3 -2,-0.0 -0.226 43.2 -82.4 -94.1-172.0 40.8 27.2 14.3 79 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.686 128.4 56.3 -67.4 -14.0 39.5 29.8 16.8 80 85 A Y T 3 S- 0 0 173 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.370 120.7-106.0 -96.7 5.0 36.5 30.6 14.5 81 86 A G S < S+ 0 0 50 -3,-2.0 -53,-0.3 1,-0.3 2,-0.3 0.627 72.3 144.8 82.2 14.0 35.4 26.9 14.5 82 87 A R - 0 0 66 -55,-0.1 -4,-2.2 -53,-0.1 -1,-0.3 -0.658 54.0-112.6 -89.9 146.1 36.6 26.3 10.9 83 88 A G E -dF 29 77A 0 -55,-3.0 -53,-3.2 -2,-0.3 2,-0.6 -0.461 24.7-143.8 -66.9 140.8 38.1 23.0 9.8 84 89 A L E +d 30 0A 26 -8,-2.7 -12,-0.6 -55,-0.2 2,-0.3 -0.916 44.2 125.8-110.2 107.4 41.8 23.2 9.0 85 90 A A E -dE 31 71A 1 -55,-1.8 -53,-2.6 -2,-0.6 2,-0.4 -0.951 62.7-101.3-156.7 172.4 42.6 20.9 6.0 86 91 A Y E - 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