==== 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 2F0D . 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) . 7958.0 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 . 34 25.0 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 . 12 8.8 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 1 1 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 253 0, 0.0 2,-0.3 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 127.0 63.1 22.1 -8.5 2 7 A L - 0 0 49 68,-0.0 2,-0.3 0, 0.0 70,-0.1 -0.695 360.0-165.5 -93.5 144.4 60.9 24.8 -7.0 3 8 A H - 0 0 119 -2,-0.3 68,-0.5 68,-0.2 2,-0.3 -0.965 18.6-119.3-131.8 149.3 62.4 27.8 -5.3 4 9 A K - 0 0 93 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.619 26.5-163.2 -86.1 142.7 60.9 30.5 -3.1 5 10 A E E -A 69 0A 31 64,-2.2 64,-2.3 -2,-0.3 2,-0.1 -0.938 25.7 -98.8-127.0 149.9 60.9 34.2 -4.1 6 11 A P E +A 68 0A 107 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.351 43.7 169.3 -67.2 142.3 60.4 37.4 -2.1 7 12 A A E -A 67 0A 9 60,-2.0 60,-0.6 15,-0.1 2,-0.4 -0.977 23.6-137.7-149.6 156.3 56.9 39.0 -2.0 8 13 A T E -D 21 0B 94 13,-1.3 13,-2.9 -2,-0.3 2,-0.0 -0.976 23.4-116.4-126.2 129.9 55.4 41.8 -0.0 9 14 A L E +D 20 0B 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.332 35.7 164.6 -62.4 136.2 51.9 41.9 1.4 10 15 A I E - 0 0 72 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.674 67.7 -23.7-113.9 -52.0 49.5 44.5 0.1 11 16 A K E -D 19 0B 123 8,-1.8 8,-3.1 0, 0.0 2,-0.5 -0.912 51.9-126.9-167.3 133.3 46.1 43.2 1.2 12 17 A A E +D 18 0B 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.723 28.6 176.6 -83.2 130.1 44.5 39.9 2.2 13 18 A I - 0 0 43 4,-1.6 2,-0.3 -2,-0.5 5,-0.2 0.804 55.4 -20.5-104.4 -38.3 41.3 39.5 0.1 14 19 A D S S- 0 0 7 3,-2.6 -1,-0.4 39,-0.1 3,-0.2 -0.932 75.0 -81.4-158.7 178.7 39.9 36.1 1.1 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.863 131.4 27.4 -59.7 -36.1 40.8 32.8 2.6 16 21 A D S S+ 0 0 3 20,-0.1 15,-2.7 21,-0.1 2,-0.4 0.430 117.3 67.6-106.2 0.8 42.3 31.6 -0.7 17 22 A T E + E 0 30B 11 -3,-0.2 -3,-2.6 13,-0.2 -4,-1.6 -0.968 50.0 169.0-130.0 135.3 43.3 34.9 -2.2 18 23 A V E -DE 12 29B 2 11,-2.1 11,-2.7 -2,-0.4 2,-0.6 -0.998 28.2-132.0-141.0 143.3 45.9 37.5 -1.2 19 24 A K E +DE 11 28B 82 -8,-3.1 -9,-2.3 -2,-0.3 -8,-1.8 -0.856 34.6 174.9 -98.4 124.1 47.2 40.5 -3.0 20 25 A L E -DE 9 27B 0 7,-3.5 7,-2.9 -2,-0.6 2,-0.9 -0.885 37.9-120.6-129.1 160.6 51.0 40.8 -3.1 21 26 A M E -DE 8 26B 80 -13,-2.9 -13,-1.3 -2,-0.3 2,-0.6 -0.863 38.8-177.7 -99.4 99.0 53.7 43.0 -4.5 22 27 A Y E > - E 0 25B 25 3,-2.5 3,-1.9 -2,-0.9 -15,-0.1 -0.908 64.6 -20.2-108.3 121.0 55.7 40.5 -6.6 23 28 A K T 3 S- 0 0 164 -2,-0.6 -1,-0.2 -17,-0.5 -16,-0.1 0.919 127.6 -50.0 48.2 54.2 58.9 41.7 -8.5 24 29 A G T 3 S+ 0 0 70 -3,-0.2 -1,-0.3 1,-0.2 -17,-0.0 0.272 120.7 106.6 74.2 -10.2 57.8 45.3 -8.3 25 30 A Q E < S-E 22 0B 126 -3,-1.9 -3,-2.5 2,-0.0 -1,-0.2 -0.861 71.6-127.2-107.2 129.5 54.3 44.5 -9.7 26 31 A P E +E 21 0B 64 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.479 43.0 174.3 -66.9 143.3 51.2 44.5 -7.5 27 32 A M E -E 20 0B 42 -7,-2.9 -7,-3.5 -2,-0.1 2,-0.3 -0.973 34.0-127.7-159.9 142.4 49.5 41.1 -8.1 28 33 A T E -E 19 0B 43 -2,-0.3 55,-2.8 -9,-0.3 2,-0.4 -0.667 28.4-157.2 -86.4 139.6 46.6 38.9 -6.9 29 34 A F E -Ef 18 83B 0 -11,-2.7 -11,-2.1 -2,-0.3 2,-0.5 -0.975 10.7-156.2-126.6 134.2 47.4 35.4 -5.8 30 35 A R E -Ef 17 84B 34 53,-3.0 55,-1.6 -2,-0.4 2,-0.3 -0.909 30.3-119.4-104.0 124.7 45.3 32.3 -5.6 31 36 A L E > - f 0 85B 2 -15,-2.7 3,-0.9 -2,-0.5 55,-0.2 -0.489 34.0-118.5 -66.9 123.2 46.5 29.7 -3.1 32 37 A L T 3 S+ 0 0 14 53,-2.6 55,-0.1 -2,-0.3 -1,-0.1 -0.179 81.5 4.9 -63.0 153.5 47.3 26.4 -4.9 33 38 A L T 3 S+ 0 0 11 80,-0.2 74,-0.8 75,-0.1 2,-0.4 0.606 103.6 103.1 49.8 23.3 45.6 23.1 -4.2 34 39 A V E < -H 106 0C 1 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.993 48.7-164.4-139.6 143.3 43.0 24.4 -1.7 35 40 A D E -H 105 0C 79 70,-2.6 70,-2.4 -2,-0.4 3,-0.0 -0.971 19.6-177.6-121.2 111.6 39.3 25.3 -1.6 36 41 A T - 0 0 8 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.752 39.2 -91.9-105.7 155.2 38.4 27.4 1.4 37 42 A P - 0 0 18 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.401 52.3-133.3 -62.8 146.3 34.9 28.5 2.2 38 43 A E - 0 0 48 1,-0.1 9,-2.8 -24,-0.1 12,-0.2 -0.675 32.8-170.6-108.1 160.0 34.3 32.0 0.6 39 44 A T S S+ 0 0 35 7,-0.3 -1,-0.1 -2,-0.2 -25,-0.1 0.493 101.1 47.8-110.4 -21.3 32.9 35.3 1.8 40 45 A K S S+ 0 0 125 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.267 76.9 156.6-112.2 41.7 33.1 36.5 -1.9 41 46 A H B > -I 45 0D 40 4,-2.5 4,-0.6 1,-0.1 5,-0.0 -0.566 45.4-133.3 -70.3 129.6 31.5 33.4 -3.4 42 47 A P T 4 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.826 97.5 16.5 -51.4 -37.7 30.0 34.5 -6.8 43 48 A K T 4 S+ 0 0 182 2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.865 133.0 34.3-105.2 -54.9 26.7 32.8 -6.1 44 49 A K T 4 S- 0 0 137 1,-0.2 2,-0.9 -4,-0.0 -4,-0.0 0.818 82.7-155.3 -75.8 -33.5 26.3 31.9 -2.4 45 50 A G B < +I 41 0D 26 -4,-0.6 -4,-2.5 2,-0.0 2,-0.5 -0.802 66.9 18.7 97.6-102.1 28.0 34.9 -0.9 46 51 A V S S- 0 0 83 -2,-0.9 -7,-0.3 -6,-0.2 2,-0.1 -0.941 73.0-167.7-113.0 119.5 29.3 34.0 2.6 47 52 A E > - 0 0 57 -9,-2.8 3,-1.5 -2,-0.5 2,-0.1 -0.459 37.6 -74.0 -97.8 171.0 29.6 30.3 3.4 48 53 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.412 120.6 9.4 -65.9 140.6 30.1 28.6 6.8 49 54 A Y T 3> S+ 0 0 55 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 0.412 97.2 117.0 68.9 -2.3 33.7 29.0 8.1 50 55 A G H <> S+ 0 0 0 -3,-1.5 4,-1.8 1,-0.2 -11,-0.2 0.956 76.6 43.5 -58.7 -52.6 34.2 31.4 5.3 51 56 A P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.808 114.2 53.1 -62.4 -31.9 34.9 34.3 7.7 52 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 109.1 45.6 -71.4 -44.1 37.1 32.1 9.8 53 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.842 113.2 54.5 -67.3 -30.7 39.3 30.9 6.9 54 59 A S H X S+ 0 0 27 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.905 110.0 42.7 -70.3 -42.2 39.4 34.6 5.9 55 60 A A H X S+ 0 0 47 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.862 110.9 57.4 -72.5 -35.3 40.7 35.8 9.3 56 61 A F H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.968 111.3 40.6 -59.9 -53.0 43.1 32.9 9.6 57 62 A T H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.925 114.0 55.1 -62.5 -43.0 44.9 33.8 6.3 58 63 A K H X S+ 0 0 89 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.941 111.9 41.3 -54.0 -55.7 44.7 37.5 7.1 59 64 A K H X S+ 0 0 132 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.946 112.7 54.7 -60.0 -50.5 46.4 37.3 10.4 60 65 A M H < S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.874 116.9 34.7 -52.8 -45.8 49.0 34.8 9.2 61 66 A V H < S+ 0 0 4 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.748 118.1 54.3 -82.6 -23.3 50.2 36.9 6.3 62 67 A E H < S+ 0 0 92 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.779 109.7 45.3 -80.0 -29.3 49.8 40.2 8.3 63 68 A N S < S+ 0 0 120 -4,-2.6 2,-0.2 -5,-0.2 -1,-0.2 0.228 91.9 111.5 -99.7 14.4 51.8 39.1 11.3 64 69 A A - 0 0 24 -3,-0.5 3,-0.1 -5,-0.1 -3,-0.0 -0.597 54.1-158.2 -91.7 150.2 54.7 37.7 9.2 65 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.789 86.0 30.1 -89.6 -36.1 58.2 39.2 8.9 66 71 A K - 0 0 142 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.992 64.6-170.1-130.8 132.1 58.9 37.4 5.7 67 72 A I E +AB 7 89A 17 -60,-0.6 -60,-2.0 -2,-0.4 2,-0.3 -0.982 11.5 176.9-121.9 130.5 56.5 36.4 2.9 68 73 A E E -AB 6 88A 56 20,-2.0 20,-3.2 -2,-0.4 2,-0.4 -0.965 16.1-148.1-132.5 149.1 57.6 34.2 0.0 69 74 A V E -AB 5 87A 0 -64,-2.3 -64,-2.2 -2,-0.3 2,-0.5 -0.917 6.0-160.7-118.2 146.3 55.8 32.7 -2.9 70 75 A E E - B 0 86A 10 16,-2.8 16,-2.8 -2,-0.4 -66,-0.1 -0.947 6.3-155.5-131.8 111.1 56.5 29.4 -4.5 71 76 A F - 0 0 17 -68,-0.5 14,-0.2 -2,-0.5 -68,-0.2 -0.376 16.0-132.2 -77.8 161.1 55.3 28.6 -8.1 72 77 A D - 0 0 1 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.327 32.8 -87.5-102.0-170.1 54.8 25.0 -9.2 73 78 A K S S+ 0 0 106 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.731 104.6 52.2 -73.7 -25.3 55.9 23.2 -12.4 74 79 A G S S- 0 0 16 1,-0.3 -2,-0.1 38,-0.1 37,-0.1 0.202 107.4 -16.5 -90.6-148.0 52.9 24.1 -14.5 75 80 A Q - 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