==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-00 1EY8 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,Z.LU,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 25.9 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 3.0 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 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.0 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 7 A L 0 0 99 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 155.5 1.2 37.5 6.7 2 8 A H - 0 0 127 68,-0.3 68,-0.5 69,-0.1 2,-0.4 -0.982 360.0-136.3-124.9 130.3 4.6 39.0 5.6 3 9 A K E -A 69 0A 83 -2,-0.4 66,-0.2 66,-0.1 83,-0.0 -0.677 23.7-168.0 -85.4 133.4 6.8 37.6 2.9 4 10 A E E -A 68 0A 23 64,-3.1 64,-2.8 -2,-0.4 2,-0.1 -0.935 22.0-108.3-121.8 147.7 10.5 37.4 3.8 5 11 A P E +A 67 0A 92 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.328 39.6 167.3 -73.4 148.8 13.5 36.9 1.5 6 12 A A E -AB 66 21A 12 60,-2.1 60,-0.7 15,-0.1 2,-0.4 -0.966 26.8-129.0-149.0 166.3 15.5 33.6 1.6 7 13 A T E - B 0 20A 95 13,-1.9 13,-2.9 -2,-0.3 2,-0.1 -0.979 27.1-113.3-124.5 134.5 18.1 31.9 -0.5 8 14 A L E + B 0 19A 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.386 36.2 165.2 -61.1 135.1 18.0 28.4 -1.8 9 15 A I E - 0 0 72 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.654 68.3 -27.1-108.2 -50.5 20.6 26.0 -0.4 10 16 A K E - B 0 18A 111 8,-2.2 8,-3.5 50,-0.0 2,-0.5 -0.932 47.2-129.4-168.2 138.5 19.0 22.7 -1.6 11 17 A A E + B 0 17A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.779 27.0 177.1 -90.3 130.3 15.8 21.1 -2.5 12 18 A I - 0 0 71 4,-2.0 2,-0.2 -2,-0.5 5,-0.2 0.881 57.1 -15.6-100.0 -39.9 15.4 17.9 -0.6 13 19 A D S S- 0 0 7 3,-1.8 -1,-0.3 40,-0.1 24,-0.1 -0.798 76.8 -84.7-154.7 176.1 12.0 16.4 -1.4 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.2 83,-0.1 0.805 131.3 31.6 -64.6 -30.8 8.7 17.5 -3.0 15 21 A D S S+ 0 0 4 1,-0.1 15,-3.1 20,-0.1 2,-0.4 0.430 115.1 63.6-108.4 -4.6 7.6 18.8 0.5 16 22 A T E + C 0 29A 10 13,-0.2 -4,-2.0 -3,-0.1 -3,-1.8 -0.971 50.4 173.5-135.3 130.3 10.9 19.9 2.0 17 23 A V E -BC 11 28A 1 11,-2.4 11,-3.3 -2,-0.4 2,-0.5 -0.993 24.7-136.3-133.8 143.6 13.5 22.6 1.0 18 24 A K E +BC 10 27A 85 -8,-3.5 -9,-2.5 -2,-0.4 -8,-2.2 -0.863 33.5 174.6 -99.3 125.4 16.6 23.8 2.8 19 25 A L E -BC 8 26A 0 7,-3.1 7,-2.8 -2,-0.5 2,-0.7 -0.873 38.3-119.9-127.3 157.8 17.0 27.6 2.7 20 26 A M E -BC 7 25A 58 -13,-2.9 -13,-1.9 -2,-0.3 2,-0.5 -0.911 40.7-177.8 -92.9 114.5 19.2 30.3 4.1 21 27 A Y E > -BC 6 24A 32 3,-2.8 3,-1.6 -2,-0.7 -15,-0.1 -0.973 63.4 -18.3-124.2 118.8 16.8 32.4 6.2 22 28 A K T 3 S- 0 0 125 -17,-0.5 -1,-0.2 -2,-0.5 -16,-0.1 0.924 130.5 -49.0 49.0 48.6 18.0 35.5 8.0 23 29 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.385 121.4 91.8 80.2 -2.1 21.6 34.4 7.7 24 30 A Q E < S-C 21 0A 77 -3,-1.6 -3,-2.8 2,-0.0 -1,-0.1 -0.980 76.9-111.3-130.3 140.4 21.2 30.8 9.0 25 31 A P E +C 20 0A 85 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.375 43.8 172.9 -64.7 138.7 20.6 27.5 7.1 26 32 A M E -C 19 0A 37 -7,-2.8 -7,-3.1 -2,-0.1 2,-0.4 -0.995 31.9-126.2-153.0 143.3 17.2 26.0 7.9 27 33 A T E -C 18 0A 43 -2,-0.3 55,-2.9 53,-0.3 2,-0.4 -0.769 27.3-158.8 -92.1 129.3 14.9 23.2 6.7 28 34 A F E -Cd 17 82A 0 -11,-3.3 -11,-2.4 -2,-0.4 2,-0.5 -0.946 9.4-157.1-115.8 135.0 11.4 24.1 5.6 29 35 A R E -Cd 16 83A 33 53,-3.2 55,-1.6 -2,-0.4 2,-0.4 -0.886 31.8-117.5 -99.6 124.2 8.4 21.9 5.5 30 36 A L E > - d 0 84A 2 -15,-3.1 3,-0.9 -2,-0.5 55,-0.2 -0.541 32.9-117.9 -71.4 129.2 5.8 23.3 3.0 31 37 A L T 3 S+ 0 0 8 53,-2.3 55,-0.1 -2,-0.4 3,-0.1 -0.293 82.2 2.7 -63.1 143.2 2.5 24.1 4.8 32 38 A L T 3 S+ 0 0 10 75,-0.2 74,-2.1 1,-0.2 2,-0.4 0.515 103.3 105.3 66.4 14.4 -0.8 22.3 4.0 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.948 48.3-165.2-126.9 143.6 0.5 20.0 1.4 34 40 A D E -H 104 0B 63 70,-3.0 70,-2.4 -2,-0.4 -3,-0.0 -0.965 16.5-173.6-118.3 115.4 1.2 16.3 1.4 35 41 A T - 0 0 8 -2,-0.5 2,-0.2 68,-0.2 68,-0.2 -0.654 37.1 -96.5 -97.3 158.7 3.4 15.1 -1.5 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.572 54.3-125.1 -67.2 139.3 4.2 11.5 -2.4 37 43 A E - 0 0 44 -2,-0.2 9,-2.0 1,-0.1 12,-0.2 -0.591 32.9-172.3 -98.0 157.0 7.7 10.9 -0.8 38 44 A T S S+ 0 0 43 11,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.480 95.7 49.8-105.1 -20.8 11.0 9.7 -2.1 39 45 A K S S+ 0 0 174 10,-0.1 -1,-0.1 6,-0.0 6,-0.1 -0.539 78.9 146.8-122.7 63.1 12.3 9.6 1.5 40 46 A H - 0 0 46 4,-0.7 4,-0.4 -2,-0.2 3,-0.0 -0.838 54.2-127.0-100.6 135.2 9.6 7.6 3.3 41 47 A P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.945 96.2 6.3 -40.9 -70.1 10.3 5.3 6.2 42 48 A K S S+ 0 0 155 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.767 123.2 43.5-114.0 168.4 8.5 2.4 4.5 43 49 A K S S- 0 0 142 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 -0.092 81.7-161.3 86.2 -26.9 7.0 2.3 0.9 44 50 A G + 0 0 25 -4,-0.4 2,-1.0 1,-0.1 -4,-0.7 -0.382 67.2 28.7 57.3-104.4 10.2 3.9 -0.1 45 51 A V S S- 0 0 102 -2,-0.6 -7,-0.2 -6,-0.1 2,-0.1 -0.725 79.1-164.3 -93.2 101.4 9.5 5.4 -3.5 46 52 A E > - 0 0 47 -9,-2.0 3,-1.3 -2,-1.0 2,-0.1 -0.448 35.5 -85.0 -78.1 158.7 5.8 6.2 -3.7 47 53 A K T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.452 114.4 10.7 -68.2 139.2 4.2 6.9 -7.0 48 54 A Y T 3> S+ 0 0 49 -2,-0.1 4,-3.1 -3,-0.1 5,-0.3 0.206 96.3 113.1 68.6 -3.9 4.5 10.5 -8.3 49 55 A G H <> S+ 0 0 0 -3,-1.3 4,-2.4 -12,-0.2 -11,-0.2 0.940 78.3 44.9 -57.0 -44.6 7.0 11.1 -5.5 50 56 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.862 113.5 51.7 -67.6 -29.6 9.9 11.6 -8.0 51 57 A E H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.1 -2,-0.2 0.906 111.2 46.4 -69.2 -43.7 7.6 13.8 -10.1 52 58 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.947 111.9 51.7 -64.3 -45.0 6.7 16.0 -7.1 53 59 A S H X S+ 0 0 28 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.930 110.9 46.5 -56.6 -44.6 10.3 16.2 -6.1 54 60 A A H X S+ 0 0 41 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.862 110.6 54.5 -69.3 -33.0 11.5 17.3 -9.5 55 61 A F H X S+ 0 0 49 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.954 110.5 44.0 -63.6 -52.6 8.7 19.8 -9.7 56 62 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.959 115.0 49.9 -57.1 -47.4 9.6 21.5 -6.5 57 63 A K H X S+ 0 0 77 -4,-2.4 4,-3.4 -5,-0.2 5,-0.3 0.929 110.5 49.2 -56.0 -49.7 13.3 21.5 -7.4 58 64 A K H X S+ 0 0 89 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.905 111.6 50.4 -58.2 -40.8 12.8 23.0 -10.8 59 65 A M H < S+ 0 0 35 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.920 117.7 35.7 -69.8 -41.4 10.7 25.7 -9.4 60 66 A V H >< S+ 0 0 3 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.871 115.1 55.2 -84.4 -28.8 13.0 26.8 -6.7 61 67 A E H 3< S+ 0 0 88 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.790 111.8 43.4 -71.1 -28.4 16.2 26.2 -8.6 62 68 A N T 3< S+ 0 0 118 -4,-1.5 -1,-0.2 -5,-0.3 2,-0.2 0.524 90.5 107.0 -95.6 -1.6 15.2 28.4 -11.5 63 69 A A < - 0 0 21 -3,-0.5 3,-0.1 -4,-0.4 -3,-0.0 -0.504 55.3-157.4 -73.7 143.9 13.7 31.3 -9.4 64 70 A K S S+ 0 0 188 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.710 85.9 34.2 -86.6 -22.0 15.6 34.6 -9.2 65 71 A K - 0 0 96 -58,-0.0 24,-2.5 2,-0.0 2,-0.4 -0.988 64.9-169.4-136.2 127.1 13.8 35.3 -5.9 66 72 A I E -AE 6 88A 14 -60,-0.7 -60,-2.1 -2,-0.4 2,-0.3 -0.952 9.9-173.6-110.8 134.5 12.6 33.0 -3.1 67 73 A E E -AE 5 87A 52 20,-2.2 20,-3.0 -2,-0.4 2,-0.4 -0.946 11.3-151.3-126.8 146.9 10.3 34.3 -0.3 68 74 A V E -AE 4 86A 0 -64,-2.8 -64,-3.1 -2,-0.3 2,-0.5 -0.932 7.3-165.7-116.0 140.9 9.1 32.5 2.8 69 75 A E E -AE 3 85A 8 16,-2.4 16,-2.7 -2,-0.4 -66,-0.1 -0.924 6.3-155.7-132.0 108.0 5.8 33.3 4.5 70 76 A F E - E 0 84A 25 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.420 15.5-136.9 -73.4 153.0 5.1 32.1 8.0 71 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.285 28.8 -95.8 -97.7-164.4 1.5 31.7 9.0 72 78 A K S S+ 0 0 111 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.482 99.0 64.3 -99.0 2.0 -0.1 32.7 12.3 73 79 A G S S- 0 0 16 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.033 106.3 -24.0 -98.7-151.1 0.1 29.4 14.1 74 80 A Q - 0 0 91 36,-1.7 -1,-0.3 1,-0.1 -3,-0.2 -0.384 53.5-157.7 -65.0 140.2 3.1 27.3 15.2 75 81 A R + 0 0 114 -3,-0.1 8,-2.3 7,-0.1 2,-0.3 0.546 68.6 37.9-102.9 -9.5 6.2 28.0 13.1 76 82 A T B S-F 82 0A 75 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.976 71.6-135.2-136.4 154.7 8.3 24.9 13.5 77 83 A D > - 0 0 20 4,-1.8 3,-1.7 -2,-0.3 -2,-0.1 -0.319 42.0 -87.9 -97.3-174.3 7.4 21.2 13.8 78 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.709 126.6 57.5 -75.7 -11.0 8.7 18.7 16.2 79 85 A Y T 3 S- 0 0 174 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.422 120.6-106.0 -94.0 4.7 11.6 17.9 13.9 80 86 A G S < S+ 0 0 49 -3,-1.7 2,-0.3 1,-0.3 -53,-0.3 0.509 72.0 143.2 88.2 2.5 12.8 21.5 13.9 81 87 A R - 0 0 57 -55,-0.1 -4,-1.8 -53,-0.1 -1,-0.3 -0.549 53.8-117.2 -78.1 139.9 11.6 22.3 10.4 82 88 A G E -dF 28 76A 0 -55,-2.9 -53,-3.2 -2,-0.3 2,-0.7 -0.489 22.8-139.0 -67.9 145.4 10.1 25.8 9.7 83 89 A L E +d 29 0A 10 -8,-2.3 -12,-0.6 -55,-0.2 2,-0.3 -0.912 46.1 135.2-108.4 107.9 6.4 25.6 8.6 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.3 -2,-0.7 2,-0.4 -0.943 58.9-110.6-150.1 166.3 5.9 28.0 5.8 85 91 A Y E - 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