==== 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 09-NOV-05 2EY1 . 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) . 7750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.4 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 . 35 25.7 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 . 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 . 10 7.4 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 1 1 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 0 255 0, 0.0 2,-0.0 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 173.0 -15.0 22.0 7.4 2 7 A L - 0 0 44 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.309 360.0-159.3 -67.5 152.6 -12.6 24.7 6.2 3 8 A H - 0 0 103 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.988 14.1-123.0-136.3 145.6 -14.1 27.8 4.5 4 9 A K - 0 0 87 -2,-0.3 66,-0.2 66,-0.2 83,-0.0 -0.628 25.6-168.3 -83.0 142.7 -12.7 30.4 2.1 5 10 A E E -A 69 0A 24 64,-2.5 64,-3.1 -2,-0.3 2,-0.1 -0.973 25.3-104.4-130.4 150.7 -12.8 34.1 3.1 6 11 A P E +A 68 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.362 40.2 168.9 -74.5 151.2 -12.1 37.2 1.0 7 12 A A E -A 67 0A 12 60,-1.7 60,-0.7 15,-0.1 2,-0.4 -0.944 26.1-128.7-149.6 165.7 -8.9 39.2 1.2 8 13 A T E -B 21 0A 97 13,-1.7 13,-3.2 -2,-0.3 2,-0.1 -0.986 26.8-113.1-128.0 131.9 -7.2 41.9 -0.8 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.306 36.4 166.1 -60.7 130.6 -3.7 41.9 -2.2 10 15 A I E - 0 0 76 9,-2.2 2,-0.3 1,-0.3 10,-0.2 0.730 67.2 -27.5-103.6 -55.2 -1.4 44.4 -0.6 11 16 A K E -B 19 0A 125 8,-2.3 8,-3.0 0, 0.0 2,-0.4 -0.956 48.1-128.8-161.5 137.9 2.0 43.1 -1.8 12 17 A A E +B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.781 26.1 179.3 -86.5 135.1 3.7 39.9 -2.8 13 18 A I - 0 0 40 4,-2.1 2,-0.3 -2,-0.4 5,-0.2 0.796 57.1 -26.0-105.9 -39.7 6.9 39.5 -0.9 14 19 A D S S- 0 0 6 3,-2.0 3,-0.5 39,-0.1 -1,-0.4 -0.885 80.1 -72.0-158.4-175.1 8.5 36.2 -2.0 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.835 131.8 26.8 -56.6 -35.4 7.4 32.9 -3.4 16 21 A D S S+ 0 0 7 20,-0.1 15,-2.6 21,-0.1 2,-0.4 0.332 113.1 67.7-117.5 5.6 5.9 31.8 -0.2 17 22 A V E + C 0 30A 12 -3,-0.5 -4,-2.1 13,-0.2 -3,-2.0 -0.996 49.3 170.7-133.5 133.2 4.9 35.0 1.6 18 23 A V E -BC 12 29A 2 11,-1.9 11,-2.9 -2,-0.4 2,-0.5 -0.995 26.7-136.0-137.5 138.4 2.2 37.6 0.6 19 24 A K E +BC 11 28A 87 -8,-3.0 -8,-2.3 -2,-0.3 -9,-2.2 -0.907 33.3 177.7 -95.5 125.9 0.8 40.6 2.5 20 25 A L E -BC 9 27A 0 7,-2.5 7,-2.5 -2,-0.5 2,-0.7 -0.889 37.0-119.0-126.8 152.7 -3.0 40.8 2.4 21 26 A M E -BC 8 26A 70 -13,-3.2 -13,-1.7 -2,-0.3 2,-0.5 -0.847 41.8-178.9 -86.2 113.3 -5.7 43.0 3.8 22 27 A Y E > - C 0 25A 18 3,-3.2 3,-1.8 -2,-0.7 -15,-0.1 -0.968 64.3 -17.0-126.7 121.1 -7.7 40.5 5.8 23 28 A K T 3 S- 0 0 152 -2,-0.5 -1,-0.2 -17,-0.5 -16,-0.1 0.882 130.8 -50.5 46.1 46.9 -10.8 41.6 7.7 24 29 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.489 120.1 106.0 78.1 8.6 -9.7 45.2 7.3 25 30 A Q E < S-C 22 0A 128 -3,-1.8 -3,-3.2 2,-0.0 2,-0.3 -0.966 71.5-123.3-124.7 131.1 -6.2 44.6 8.6 26 31 A P E +C 21 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.587 43.8 169.3 -68.6 131.6 -2.9 44.4 6.9 27 32 A M E -C 20 0A 46 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.4 -0.985 34.6-126.3-146.5 144.9 -1.3 41.0 7.6 28 33 A T E -C 19 0A 40 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.823 28.0-158.5 -91.9 132.9 1.6 38.9 6.4 29 34 A F E -Cd 18 83A 0 -11,-2.9 -11,-1.9 -2,-0.4 2,-0.5 -0.940 9.9-155.8-117.4 136.1 0.7 35.4 5.3 30 35 A R E -Cd 17 84A 36 53,-3.1 55,-1.6 -2,-0.4 2,-0.3 -0.939 32.7-115.0-104.8 127.5 3.0 32.4 5.0 31 36 A L E > - d 0 85A 1 -15,-2.6 3,-0.9 -2,-0.5 55,-0.2 -0.547 35.2-117.5 -66.7 126.5 1.7 29.8 2.5 32 37 A L T 3 S+ 0 0 14 53,-2.4 55,-0.1 -2,-0.3 -1,-0.1 -0.348 82.6 2.4 -66.0 142.1 0.8 26.5 4.3 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.7 80,-0.1 2,-0.4 0.341 105.2 98.5 70.7 10.1 2.6 23.2 3.5 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.964 49.6-161.3-131.7 144.7 5.1 24.5 1.0 35 40 A D E -H 105 0B 79 70,-3.0 70,-2.5 -2,-0.4 3,-0.0 -0.959 14.9-171.3-113.5 119.6 8.7 25.6 0.8 36 41 A T - 0 0 6 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.765 36.9 -99.4 -98.6 152.6 9.8 27.6 -2.1 37 42 A P - 0 0 19 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.434 54.5-132.5 -61.8 149.7 13.4 28.5 -2.9 38 43 A E - 0 0 47 1,-0.1 9,-3.3 -24,-0.1 12,-0.3 -0.759 32.4-162.2-116.1 160.5 13.8 32.0 -1.6 39 44 A T S S+ 0 0 39 -2,-0.3 -1,-0.1 7,-0.3 -25,-0.1 0.561 102.9 46.2-101.5 -23.2 15.2 35.4 -2.6 40 45 A K S S+ 0 0 133 10,-0.1 6,-0.2 6,-0.1 -1,-0.1 -0.479 77.7 160.7-116.2 51.4 15.3 36.6 1.0 41 46 A H B > -I 45 0C 40 4,-2.4 4,-1.6 -3,-0.2 5,-0.0 -0.642 41.6-133.0 -75.5 132.3 16.8 33.5 2.5 42 47 A P T 4 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.920 99.4 15.3 -52.0 -55.0 18.3 34.4 5.9 43 48 A K T 4 S+ 0 0 159 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.775 135.8 38.9 -90.9 -30.7 21.7 32.7 5.4 44 49 A K T 4 S- 0 0 115 1,-0.2 2,-0.6 3,-0.0 -1,-0.1 0.732 77.6-158.3 -97.3 -33.3 21.7 32.2 1.6 45 50 A G B < S+I 41 0C 28 -4,-1.6 -4,-2.4 1,-0.0 2,-0.8 -0.810 70.5 15.0 87.0-122.5 20.1 35.2 -0.1 46 51 A V S S- 0 0 97 -2,-0.6 -7,-0.3 -6,-0.2 3,-0.1 -0.774 75.8-165.5 -94.3 99.1 18.9 34.3 -3.6 47 52 A E > - 0 0 62 -9,-3.3 3,-2.0 -2,-0.8 2,-0.2 -0.398 38.5 -74.5 -81.3 168.7 18.6 30.5 -4.2 48 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.455 122.1 10.2 -60.3 123.6 18.2 28.8 -7.5 49 54 A Y T 3> S+ 0 0 47 -2,-0.2 4,-3.1 -3,-0.1 5,-0.3 0.312 95.9 117.3 78.9 1.9 14.6 29.2 -8.8 50 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 -12,-0.3 -11,-0.3 0.954 77.0 43.8 -57.1 -54.8 14.0 31.7 -6.0 51 56 A P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.911 115.2 51.2 -60.3 -37.9 13.3 34.6 -8.5 52 57 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.936 111.3 44.9 -63.7 -49.6 11.2 32.2 -10.6 53 58 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.923 114.8 51.0 -60.2 -42.5 9.0 31.0 -7.6 54 59 A S H X S+ 0 0 27 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.921 109.2 48.3 -66.1 -39.7 8.7 34.6 -6.5 55 60 A A H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.899 109.9 54.7 -67.1 -33.0 7.6 35.9 -10.0 56 61 A F H X S+ 0 0 57 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.964 109.4 44.1 -64.7 -50.1 5.0 33.1 -10.2 57 62 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.954 113.9 52.8 -58.6 -44.7 3.3 33.8 -6.9 58 63 A K H X S+ 0 0 81 -4,-1.9 4,-3.0 -5,-0.3 5,-0.2 0.953 110.6 44.6 -58.8 -51.0 3.3 37.5 -7.8 59 64 A K H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.926 111.9 53.7 -59.5 -43.5 1.7 37.2 -11.2 60 65 A M H < S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.947 117.0 35.2 -60.6 -44.8 -0.9 34.8 -9.9 61 66 A V H >< S+ 0 0 3 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.891 116.6 52.6 -82.8 -30.9 -2.1 37.1 -7.2 62 67 A E H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.857 112.5 45.6 -70.4 -32.0 -1.6 40.4 -8.9 63 68 A N T 3< S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.247 89.9 115.3 -90.4 6.7 -3.6 39.3 -12.0 64 69 A A < - 0 0 25 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.0 -0.465 57.0-151.6 -82.4 151.6 -6.5 37.7 -10.0 65 70 A K S S+ 0 0 192 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.835 88.8 17.0 -75.3 -40.5 -10.1 38.9 -10.0 66 71 A K - 0 0 138 -58,-0.0 24,-2.4 2,-0.0 2,-0.4 -0.999 63.7-160.7-135.8 134.5 -10.6 37.5 -6.5 67 72 A I E -AE 7 89A 18 -60,-0.7 -60,-1.7 -2,-0.3 2,-0.3 -0.945 15.3-179.1-113.1 138.8 -8.2 36.4 -3.7 68 73 A E E -AE 6 88A 43 20,-2.1 20,-2.6 -2,-0.4 2,-0.4 -0.972 14.5-148.4-130.6 148.7 -9.4 34.1 -0.9 69 74 A V E -AE 5 87A 0 -64,-3.1 -64,-2.5 -2,-0.3 2,-0.4 -0.916 6.7-164.8-116.2 149.9 -7.7 32.7 2.2 70 75 A E E - E 0 86A 10 16,-2.0 16,-2.9 -2,-0.4 -66,-0.2 -0.946 8.1-153.9-133.9 108.5 -8.4 29.4 3.8 71 76 A F E - E 0 85A 11 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.460 16.6-130.8 -75.6 154.2 -7.2 28.6 7.3 72 77 A D - 0 0 6 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.123 33.1 -88.9 -90.6-168.1 -6.6 25.0 8.3 73 78 A K S S+ 0 0 120 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.539 103.2 51.3 -85.4 -12.5 -7.8 23.2 11.5 74 79 A G S S- 0 0 21 1,-0.3 37,-0.1 36,-0.1 2,-0.0 0.131 108.5 -15.6-102.6-144.6 -4.8 24.0 13.8 75 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.310 50.7-156.6 -59.1 137.7 -3.0 27.2 14.7 76 81 A R S S+ 0 0 111 -3,-0.1 8,-2.7 -5,-0.1 2,-0.3 0.508 73.1 41.5 -99.9 -3.2 -3.7 30.1 12.3 77 82 A T B S-F 83 0A 79 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.981 73.0-137.4-136.1 151.5 -0.5 32.1 12.9 78 83 A D > - 0 0 35 4,-2.0 3,-1.9 -2,-0.3 -2,-0.1 -0.311 43.2 -82.8 -96.2-171.7 3.2 31.1 13.3 79 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.638 127.7 56.5 -71.6 -10.9 5.8 32.4 15.8 80 85 A Y T 3 S- 0 0 155 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.358 120.5-106.4 -95.5 3.0 6.5 35.4 13.5 81 86 A G S < S+ 0 0 48 -3,-1.9 2,-0.4 1,-0.3 -53,-0.3 0.583 71.9 146.6 85.0 6.2 2.9 36.5 13.6 82 87 A R - 0 0 66 -55,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.605 53.2-114.8 -81.1 134.3 2.3 35.3 10.0 83 88 A G E -dF 29 77A 0 -55,-2.5 -53,-3.1 -2,-0.4 2,-0.7 -0.373 25.7-141.4 -57.1 139.5 -1.1 34.0 9.1 84 89 A L E +d 30 0A 28 -8,-2.7 -12,-0.6 -55,-0.2 2,-0.3 -0.900 44.8 126.4-110.4 109.3 -0.9 30.3 8.1 85 90 A A E -dE 31 71A 0 -55,-1.6 -53,-2.4 -2,-0.7 2,-0.4 -0.968 61.7-103.3-158.4 167.1 -3.1 29.5 5.2 86 91 A Y E - 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