==== 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 2EYL . 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) . 7633.0 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 . 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 . 3 2.2 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 . 2 2 0 1 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 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.8 -1.8 8.8 -7.7 2 7 A L - 0 0 46 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.263 360.0-168.6 -53.6 136.4 0.4 11.5 -6.1 3 8 A H - 0 0 124 68,-0.2 68,-0.5 69,-0.1 2,-0.4 -0.953 17.7-123.3-129.0 147.1 3.5 9.9 -4.6 4 9 A K E -A 70 0A 76 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.707 23.9-166.9 -91.1 140.4 6.2 11.3 -2.2 5 10 A E E -A 69 0A 32 64,-3.2 64,-3.2 -2,-0.4 -2,-0.0 -0.970 24.6-106.6-125.1 147.4 9.9 11.3 -3.2 6 11 A P E +A 68 0A 101 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.243 38.6 172.0 -70.0 154.0 12.9 11.9 -1.0 7 12 A A E -A 67 0A 12 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.976 25.6-128.1-151.5 162.8 14.9 15.1 -1.2 8 13 A T E -B 21 0A 98 13,-1.9 13,-3.0 -2,-0.3 2,-0.0 -0.954 27.7-114.7-121.2 136.2 17.7 16.7 0.8 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.321 35.7 167.1 -65.8 139.8 17.7 20.2 2.2 10 15 A I E - 0 0 75 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.722 66.1 -27.5-109.4 -53.9 20.2 22.6 0.7 11 16 A K E -B 19 0A 127 8,-2.0 8,-3.2 0, 0.0 2,-0.4 -0.951 48.3-128.2-160.6 133.4 18.9 26.0 1.9 12 17 A A E +B 18 0A 9 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.747 28.4 178.9 -78.6 137.4 15.6 27.6 2.9 13 18 A I E - 0 0 39 4,-2.2 2,-0.3 -2,-0.4 5,-0.2 0.759 55.7 -23.6-107.2 -34.8 15.4 30.8 0.9 14 19 A D E > S-B 17 0A 6 3,-1.9 3,-0.5 40,-0.1 -1,-0.4 -0.920 78.0 -75.5-164.2 179.6 12.1 32.4 1.9 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.834 131.1 28.8 -59.5 -34.7 8.7 31.5 3.3 16 21 A D T 3 S+ 0 0 5 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.341 115.0 64.9-111.9 4.8 7.5 30.1 0.1 17 22 A T E < +BC 14 30A 9 -3,-0.5 -4,-2.2 13,-0.2 -3,-1.9 -0.987 49.0 174.1-140.4 129.4 10.8 28.8 -1.5 18 23 A V E -BC 12 29A 1 11,-2.3 11,-3.3 -2,-0.4 2,-0.6 -0.992 25.4-134.9-134.3 143.2 13.3 26.2 -0.5 19 24 A K E +BC 11 28A 76 -8,-3.2 -9,-2.4 -2,-0.4 -8,-2.0 -0.875 34.3 174.9 -97.9 124.2 16.4 24.9 -2.4 20 25 A L E -BC 9 27A 0 7,-2.9 7,-2.4 -2,-0.6 2,-0.7 -0.899 37.6-119.9-128.8 154.1 16.6 21.1 -2.3 21 26 A M E +BC 8 26A 59 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.5 -0.836 41.1 178.0 -89.3 117.8 18.8 18.3 -3.8 22 27 A Y E > - C 0 25A 23 3,-2.9 3,-2.2 -2,-0.7 -15,-0.1 -0.980 65.4 -12.4-128.0 124.2 16.4 16.2 -5.8 23 28 A K T 3 S- 0 0 166 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.883 130.3 -56.8 52.3 40.3 17.4 13.2 -7.9 24 29 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.440 118.5 106.6 68.6 9.2 20.9 14.4 -7.3 25 30 A Q E < S-C 22 0A 132 -3,-2.2 -3,-2.9 -5,-0.0 -1,-0.2 -0.945 72.7-120.6-112.1 134.2 20.4 17.9 -8.8 26 31 A P E +C 21 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.515 44.1 173.3 -66.9 142.0 20.2 21.1 -6.7 27 32 A M E -C 20 0A 50 -7,-2.4 -7,-2.9 -2,-0.1 2,-0.4 -0.989 33.4-126.4-150.9 144.0 16.8 22.7 -7.5 28 33 A T E -C 19 0A 40 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.797 28.4-158.9 -89.8 131.5 14.7 25.6 -6.2 29 34 A F E -Cd 18 83A 1 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.5 -0.943 9.6-155.9-116.4 135.8 11.2 24.6 -5.2 30 35 A R E -Cd 17 84A 32 53,-2.9 55,-1.8 -2,-0.4 2,-0.4 -0.887 31.6-115.7-100.1 129.6 8.2 26.9 -4.9 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-1.0 -2,-0.5 55,-0.2 -0.582 34.9-118.4 -71.6 124.1 5.6 25.6 -2.4 32 37 A L T 3 S+ 0 0 13 53,-2.6 55,-0.1 -2,-0.4 -1,-0.1 -0.320 81.7 3.9 -62.6 138.8 2.3 24.8 -4.3 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.4 1,-0.1 2,-0.4 0.406 103.6 98.0 79.1 8.0 -1.0 26.6 -3.5 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.983 50.3-159.9-131.4 147.8 0.2 29.1 -0.9 35 40 A D E -H 105 0B 69 70,-2.3 70,-2.4 -2,-0.4 3,-0.0 -0.994 17.0-174.0-114.5 115.5 1.2 32.7 -0.8 36 41 A T - 0 0 6 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.728 38.7 -96.3-100.9 159.3 3.3 33.8 2.2 37 42 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.457 54.9-131.2 -65.0 148.7 4.3 37.3 2.9 38 43 A E - 0 0 41 1,-0.1 9,-3.0 -23,-0.1 12,-0.3 -0.773 31.8-164.4-112.2 156.2 7.8 37.6 1.4 39 44 A T S S+ 0 0 25 -2,-0.3 2,-0.1 11,-0.3 -1,-0.1 0.596 101.2 46.8 -94.2 -26.0 11.2 38.9 2.6 40 45 A K S S+ 0 0 119 10,-0.1 6,-0.2 6,-0.1 -1,-0.1 -0.391 76.6 162.9-115.1 53.7 12.3 38.9 -1.1 41 46 A H B > -I 45 0C 34 4,-3.0 4,-2.1 -3,-0.2 5,-0.0 -0.632 41.1-133.3 -75.9 126.9 9.3 40.6 -2.7 42 47 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.808 100.4 13.6 -48.8 -39.1 10.3 41.9 -6.2 43 48 A K T 4 S+ 0 0 175 2,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 0.762 135.6 37.3-110.3 -35.2 8.7 45.3 -5.5 44 49 A K T 4 S- 0 0 116 1,-0.3 2,-0.7 -4,-0.0 -4,-0.0 0.660 80.5-157.2 -96.2 -14.8 8.0 45.5 -1.8 45 50 A G B < S+I 41 0C 30 -4,-2.1 -4,-3.0 1,-0.1 2,-0.7 -0.715 70.0 17.0 76.9-116.4 11.1 43.8 -0.3 46 51 A V S S- 0 0 94 -2,-0.7 -7,-0.3 -6,-0.2 3,-0.1 -0.821 76.7-164.6-100.6 98.4 10.2 42.6 3.2 47 52 A E > - 0 0 44 -9,-3.0 3,-1.8 -2,-0.7 2,-0.4 -0.234 37.1 -74.4 -76.9 170.5 6.4 42.4 3.9 48 53 A K T 3 S+ 0 0 146 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.518 121.3 11.0 -67.8 120.1 4.7 42.2 7.3 49 54 A Y T 3> S+ 0 0 41 -2,-0.4 4,-3.0 -3,-0.1 -1,-0.3 0.342 97.0 114.8 86.4 -0.3 4.9 38.6 8.7 50 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.8 -12,-0.3 -11,-0.3 0.934 75.5 45.7 -62.1 -51.9 7.5 37.8 6.0 51 56 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.907 115.9 49.1 -58.8 -37.7 10.4 37.3 8.5 52 57 A E H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 112.3 45.4 -66.3 -46.9 8.0 35.2 10.6 53 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.900 115.2 50.3 -62.5 -39.7 6.8 33.0 7.6 54 59 A S H X S+ 0 0 22 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.931 110.0 47.7 -66.7 -41.3 10.4 32.7 6.5 55 60 A A H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.874 110.4 54.3 -67.2 -35.0 11.6 31.6 9.9 56 61 A F H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.956 110.3 44.1 -64.9 -50.7 8.8 29.1 10.2 57 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.950 114.5 51.3 -57.6 -45.7 9.6 27.4 6.9 58 63 A K H X S+ 0 0 85 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.966 111.0 45.1 -56.8 -54.2 13.3 27.4 7.8 59 64 A K H X S+ 0 0 124 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 112.2 53.1 -60.3 -39.9 13.0 25.8 11.2 60 65 A M H < S+ 0 0 40 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.933 116.9 35.9 -66.4 -41.8 10.6 23.2 10.0 61 66 A V H >< S+ 0 0 3 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.879 116.1 53.0 -80.3 -31.1 12.8 22.0 7.1 62 67 A E H 3< S+ 0 0 96 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.838 112.3 45.4 -71.2 -29.6 16.1 22.4 8.9 63 68 A N T 3< S+ 0 0 131 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.415 90.4 108.4 -93.8 2.3 15.0 20.4 11.9 64 69 A A < - 0 0 23 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.0 -0.480 56.6-153.3 -80.7 150.0 13.4 17.5 9.9 65 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.831 87.1 27.3 -79.0 -38.6 14.9 14.0 9.7 66 71 A K - 0 0 138 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.998 64.3-166.8-131.7 129.0 13.2 13.4 6.4 67 72 A I E -AE 7 89A 16 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.4 -0.928 13.4-178.9-109.3 136.2 12.2 15.8 3.6 68 73 A E E -AE 6 88A 55 20,-1.9 20,-2.5 -2,-0.4 2,-0.4 -0.974 14.2-149.6-130.9 149.4 9.9 14.5 0.8 69 74 A V E -AE 5 87A 0 -64,-3.2 -64,-3.2 -2,-0.4 2,-0.4 -0.935 6.8-165.4-117.4 147.9 8.5 16.3 -2.2 70 75 A E E -AE 4 86A 7 16,-2.1 16,-2.6 -2,-0.4 -66,-0.2 -0.970 9.3-151.0-132.4 111.0 5.2 15.5 -3.8 71 76 A F E - E 0 85A 17 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.464 15.4-130.2 -75.2 154.4 4.3 16.8 -7.3 72 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.196 34.0 -92.0 -90.0-172.1 0.7 17.5 -8.3 73 78 A K S S+ 0 0 107 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.557 102.6 49.6 -86.5 -8.2 -0.9 16.2 -11.5 74 79 A G S S- 0 0 17 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.146 107.8 -8.6-101.4-143.9 -0.2 19.2 -13.8 75 80 A Q - 0 0 102 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.273 51.0-157.8 -51.5 131.5 3.0 21.2 -14.6 76 81 A R S S+ 0 0 150 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.491 73.1 34.4 -99.7 -1.0 5.9 20.4 -12.3 77 82 A S B S-F 83 0A 69 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.982 72.8-133.3-143.1 157.5 7.9 23.6 -12.8 78 83 A D > - 0 0 38 4,-1.9 3,-1.8 -2,-0.3 -2,-0.0 -0.367 44.0 -83.2-101.1-171.8 7.0 27.3 -13.3 79 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.659 126.6 56.8 -70.0 -14.7 8.3 29.9 -15.7 80 85 A Y T 3 S- 0 0 159 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.319 120.0-105.5 -94.5 4.5 11.3 30.6 -13.5 81 86 A G S < S+ 0 0 50 -3,-1.8 2,-0.4 1,-0.3 -53,-0.3 0.614 72.7 144.8 83.5 5.9 12.4 27.0 -13.5 82 87 A R - 0 0 62 -55,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.622 53.5-116.4 -82.1 135.5 11.2 26.4 -9.9 83 88 A G E -dF 29 77A 0 -55,-2.5 -53,-2.9 -2,-0.4 2,-0.6 -0.373 24.6-139.2 -60.0 143.5 9.8 22.9 -9.0 84 89 A L E +d 30 0A 25 -8,-2.6 -12,-0.5 -55,-0.2 2,-0.3 -0.927 45.2 130.5-111.0 111.5 6.1 23.1 -8.0 85 90 A A E -dE 31 71A 0 -55,-1.8 -53,-2.6 -2,-0.6 2,-0.5 -0.976 61.0-106.1-157.3 165.7 5.4 20.8 -5.1 86 91 A Y E - E 0 70A 0 -16,-2.6 -16,-2.1 -2,-0.3 2,-0.4 -0.856 41.5-151.0 -89.4 131.9 4.0 20.0 -1.7 87 92 A I E - E 0 69A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.7 -0.958 7.5-159.6-114.2 132.5 6.9 19.7 0.7 88 93 A Y E -GE 93 68A 15 -20,-2.5 -20,-1.9 -2,-0.4 2,-0.5 -0.900 7.8-162.4-114.1 135.6 6.8 17.3 3.8 89 94 A A E > S-GE 92 67A 7 3,-2.8 3,-2.2 -2,-0.4 -22,-0.2 -0.980 84.1 -25.8-114.8 111.3 9.0 17.6 6.9 90 95 A D T 3 S- 0 0 73 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.897 129.7 -46.1 47.4 48.8 8.8 14.3 8.8 91 96 A G T 3 S+ 0 0 51 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.395 116.6 113.4 83.5 -9.2 5.4 13.5 7.3 92 97 A K E < -G 89 0A 110 -3,-2.2 -3,-2.8 4,-0.0 2,-0.4 -0.880 69.5-123.6-103.6 128.0 4.0 17.0 8.0 93 98 A M E > -G 88 0A 13 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.489 13.0-156.0 -72.8 123.9 3.1 19.1 4.9 94 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.3 -2,-0.4 5,-0.2 0.898 92.3 57.6 -64.9 -38.9 5.0 22.4 5.1 95 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.934 110.7 41.8 -56.3 -44.9 2.4 24.1 2.9 96 101 A E H > S+ 0 0 21 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.909 110.1 57.4 -70.3 -43.1 -0.5 23.2 5.2 97 102 A A H X S+ 0 0 11 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.918 106.7 49.4 -55.4 -44.8 1.5 24.1 8.4 98 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 6,-0.5 0.932 114.8 44.0 -57.1 -45.7 2.1 27.6 7.1 99 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.6 4,-0.2 -2,-0.2 0.924 110.5 54.0 -68.6 -44.1 -1.6 28.1 6.3 100 105 A R H 3<5S+ 0 0 73 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 109.0 50.8 -59.4 -29.5 -2.8 26.5 9.6 101 106 A Q T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.382 116.6-111.3 -89.2 -0.3 -0.6 29.0 11.5 102 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.7 -4,-0.2 33,-0.2 0.863 88.4 114.4 73.1 32.3 -1.9 32.1 9.7 103 108 A L S - 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