==== 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 2F0W . 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) . 7970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 67.6 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 . 2 1.5 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 . 9 6.6 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 . 27 19.9 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 0 233 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 155.0 -1.6 39.2 9.0 2 7 A L - 0 0 52 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.378 360.0-175.3 -65.9 136.8 0.6 36.6 7.1 3 8 A H - 0 0 119 68,-0.2 68,-0.5 69,-0.1 2,-0.2 -0.963 21.4-117.9-133.2 148.8 3.7 38.2 5.6 4 9 A K E -A 70 0A 84 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.586 23.9-168.3 -87.2 147.9 6.5 36.9 3.4 5 10 A E E -A 69 0A 28 64,-1.8 64,-2.9 -2,-0.2 2,-0.1 -0.947 27.4-103.1-127.2 153.5 10.2 36.8 4.3 6 11 A P E +A 68 0A 107 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.400 40.7 169.7 -75.1 149.7 13.2 36.1 2.1 7 12 A A E -A 67 0A 11 60,-1.5 60,-0.5 15,-0.1 2,-0.4 -0.933 25.2-130.7-151.7 167.3 15.0 32.8 2.3 8 13 A T E -B 21 0A 95 13,-1.9 13,-3.2 -2,-0.3 2,-0.1 -0.991 24.3-116.8-131.3 132.1 17.7 31.1 0.2 9 14 A L E +B 20 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.404 34.5 166.8 -67.4 136.4 17.6 27.6 -1.2 10 15 A I E - 0 0 74 9,-2.3 2,-0.3 1,-0.3 10,-0.2 0.725 66.6 -26.2-101.6 -57.4 20.2 25.2 0.1 11 16 A K E -B 19 0A 124 8,-2.1 8,-3.3 0, 0.0 2,-0.4 -0.962 49.7-128.9-161.5 131.4 18.9 21.9 -1.1 12 17 A A E -B 18 0A 22 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.785 22.1-174.5 -83.3 133.0 15.5 20.3 -2.0 13 18 A I E - 0 0 49 4,-2.1 2,-0.3 -2,-0.4 5,-0.2 0.816 59.6 -42.7 -98.1 -46.1 15.3 17.0 -0.1 14 19 A D E > S-B 17 0A 8 3,-2.4 3,-0.5 39,-0.1 -1,-0.4 -0.909 82.9 -51.1-164.4-161.6 12.1 15.8 -1.6 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.786 131.5 11.6 -54.7 -35.4 8.6 16.8 -2.7 16 21 A D T 3 S+ 0 0 8 1,-0.1 15,-2.5 21,-0.1 2,-0.5 0.320 114.9 74.7-130.7 11.7 7.6 18.5 0.5 17 22 A T E < +BC 14 30A 15 -3,-0.5 -3,-2.4 13,-0.2 -4,-2.1 -0.969 54.7 168.0-130.5 122.9 10.8 18.8 2.6 18 23 A I E -BC 12 29A 1 11,-2.2 11,-4.0 -2,-0.5 2,-0.5 -0.949 31.6-131.4-134.5 151.3 13.5 21.3 1.8 19 24 A K E +BC 11 28A 70 -8,-3.3 -9,-2.3 -2,-0.3 -8,-2.1 -0.900 37.1 169.0 -99.0 123.6 16.7 22.8 3.3 20 25 A I E -BC 9 27A 0 7,-2.6 7,-2.7 -2,-0.5 2,-0.7 -0.949 40.7-114.6-135.1 156.2 16.8 26.6 3.2 21 26 A M E -BC 8 26A 74 -13,-3.2 -13,-1.9 -2,-0.3 2,-0.4 -0.836 40.0-178.3 -86.5 112.5 18.9 29.5 4.6 22 27 A Y E > - C 0 25A 26 3,-3.5 3,-2.1 -2,-0.7 -15,-0.1 -0.992 64.6 -22.4-125.7 123.3 16.5 31.4 6.8 23 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.829 129.8 -46.1 38.7 53.7 17.6 34.6 8.7 24 29 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.236 122.0 99.3 86.7 -15.5 21.2 33.5 8.5 25 30 A Q E < S-C 22 0A 133 -3,-2.1 -3,-3.5 2,-0.0 2,-0.4 -0.869 71.2-125.6-115.2 142.7 20.6 29.9 9.6 26 31 A P E +C 21 0A 70 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.721 42.6 164.8 -77.2 128.9 20.3 26.7 7.6 27 32 A M E -C 20 0A 48 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.952 38.5-116.3-140.2 160.4 17.1 24.9 8.5 28 33 A T E -C 19 0A 43 53,-0.3 55,-2.4 -2,-0.3 2,-0.4 -0.841 31.5-159.8 -93.9 133.5 14.8 22.2 7.3 29 34 A F E -Cd 18 83A 1 -11,-4.0 -11,-2.2 -2,-0.4 2,-0.4 -0.916 7.7-154.5-115.5 145.0 11.4 23.2 6.2 30 35 A R E -Cd 17 84A 41 53,-2.8 55,-1.4 -2,-0.4 2,-0.4 -0.973 28.7-115.3-112.1 131.5 8.3 21.1 5.8 31 36 A L E > - d 0 85A 2 -15,-2.5 3,-1.0 -2,-0.4 55,-0.2 -0.577 34.3-120.7 -69.4 119.5 5.6 22.3 3.4 32 37 A L T 3 S+ 0 0 14 53,-2.1 55,-0.1 -2,-0.4 -1,-0.1 -0.327 82.2 2.5 -60.4 138.5 2.3 23.2 5.2 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.5 80,-0.1 2,-0.4 0.352 106.8 95.7 71.4 7.8 -0.9 21.4 4.4 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.4 72,-0.3 72,-0.2 -0.966 50.8-159.9-131.9 151.2 0.4 19.0 1.7 35 40 A D E -H 105 0B 71 70,-2.3 70,-2.1 -2,-0.4 3,-0.1 -0.982 11.9-168.7-120.5 112.6 1.6 15.4 1.5 36 41 A T - 0 0 10 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.681 38.9 -91.2 -94.3 154.0 3.7 14.4 -1.5 37 42 A P - 0 0 17 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.297 52.0-105.1 -61.3 156.7 4.4 10.7 -2.1 38 43 A E + 0 0 63 7,-0.1 9,-4.3 1,-0.1 12,-0.3 -0.610 36.8 172.5 -91.0 140.6 7.6 9.4 -0.4 39 44 A T S S+ 0 0 36 7,-0.3 2,-0.9 -2,-0.2 -1,-0.1 0.637 82.7 53.9-107.6 -39.8 11.0 8.6 -1.9 40 45 A K S S+ 0 0 149 5,-0.1 -1,-0.2 6,-0.1 5,-0.1 -0.808 77.9 157.6 -96.7 92.1 12.8 8.0 1.4 41 46 A H - 0 0 55 -2,-0.9 5,-0.1 1,-0.2 0, 0.0 -0.962 38.5-153.6-125.7 139.5 10.7 5.5 3.2 42 47 A P S S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.999 94.7 15.4 -61.7 -75.9 11.4 3.0 6.0 43 48 A K S S+ 0 0 188 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.963 131.7 34.2 -65.4 -88.6 8.8 0.3 5.3 44 49 A K S S- 0 0 143 1,-0.1 3,-0.1 -4,-0.1 -3,-0.0 -0.104 82.9-138.7 -58.1 167.3 7.6 0.9 1.8 45 50 A G - 0 0 38 1,-0.3 2,-0.2 -5,-0.1 -7,-0.1 0.063 61.6 -11.0-104.8-142.9 10.1 2.3 -0.7 46 51 A V S S- 0 0 92 -5,-0.1 -1,-0.3 -7,-0.1 -7,-0.3 -0.389 74.5-142.9 -51.1 115.5 9.7 5.0 -3.4 47 52 A E > - 0 0 75 -9,-4.3 3,-1.5 -2,-0.2 2,-0.2 -0.438 34.1 -80.4 -78.7 167.0 6.0 5.5 -3.5 48 53 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.551 119.2 14.1 -73.6 132.3 4.4 6.2 -6.9 49 54 A Y T 3> S+ 0 0 51 -2,-0.2 4,-3.6 -12,-0.1 5,-0.3 0.212 95.4 115.2 82.2 -5.6 4.8 9.8 -8.1 50 55 A G H <> S+ 0 0 1 -3,-1.5 4,-2.1 -12,-0.3 5,-0.2 0.979 77.7 42.9 -51.7 -61.9 7.4 10.3 -5.3 51 56 A P H > S+ 0 0 58 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.869 117.2 51.1 -55.1 -36.1 10.3 10.8 -7.7 52 57 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.896 107.9 47.9 -68.4 -47.3 8.0 13.1 -9.7 53 58 A A H X S+ 0 0 0 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.881 113.9 50.4 -63.3 -30.0 6.8 15.3 -6.9 54 59 A S H X S+ 0 0 30 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.815 108.0 49.5 -84.0 -23.8 10.3 15.7 -5.8 55 60 A A H X S+ 0 0 41 -4,-1.3 4,-3.3 -5,-0.2 5,-0.2 0.883 110.6 53.6 -75.7 -35.7 11.7 16.7 -9.3 56 61 A F H X S+ 0 0 53 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.964 110.6 43.6 -55.6 -57.5 8.9 19.2 -9.6 57 62 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.942 115.1 50.7 -59.1 -45.9 9.7 20.9 -6.2 58 63 A K H X S+ 0 0 93 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.952 113.3 43.9 -56.1 -51.8 13.4 20.8 -7.0 59 64 A K H X S+ 0 0 131 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.962 113.0 51.5 -64.3 -45.9 13.0 22.4 -10.5 60 65 A M H < S+ 0 0 36 -4,-3.1 4,-0.5 -5,-0.2 -1,-0.2 0.921 116.9 39.2 -57.6 -44.1 10.5 25.0 -9.3 61 66 A L H >< S+ 0 0 6 -4,-2.6 3,-0.7 -5,-0.3 -1,-0.2 0.905 114.8 51.1 -74.6 -38.2 12.8 26.2 -6.5 62 67 A E H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.819 111.7 47.6 -71.6 -27.2 16.1 25.9 -8.4 63 68 A N T 3< S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.482 89.6 108.4 -87.1 -9.3 14.8 28.0 -11.3 64 69 A A < - 0 0 25 -3,-0.7 3,-0.2 -4,-0.5 -3,-0.0 -0.351 58.1-153.1 -76.3 150.2 13.3 30.8 -9.2 65 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.853 86.4 28.0 -79.1 -33.3 14.8 34.2 -9.0 66 71 A K - 0 0 113 -58,-0.0 24,-3.5 2,-0.0 2,-0.4 -0.988 62.3-165.9-142.2 124.5 13.2 34.7 -5.5 67 72 A L E +AE 7 89A 17 -60,-0.5 -60,-1.5 -2,-0.4 2,-0.3 -0.864 14.8 179.3-102.3 132.8 12.3 32.4 -2.7 68 73 A E E -AE 6 88A 48 20,-2.4 20,-2.7 -2,-0.4 2,-0.4 -0.988 17.2-142.8-134.8 150.0 10.0 33.6 0.2 69 74 A V E -AE 5 87A 0 -64,-2.9 -64,-1.8 -2,-0.3 2,-0.5 -0.914 8.4-164.1-115.5 139.7 8.6 31.9 3.3 70 75 A E E -AE 4 86A 9 16,-2.7 16,-3.0 -2,-0.4 -66,-0.1 -0.932 7.7-154.9-124.4 107.2 5.2 32.5 4.8 71 76 A F E - E 0 85A 23 -68,-0.5 -68,-0.2 -2,-0.5 14,-0.2 -0.466 13.6-137.0 -73.7 147.8 4.5 31.4 8.3 72 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.126 34.3 -91.8 -90.3-163.9 0.9 30.6 9.2 73 78 A K S S+ 0 0 129 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.522 101.4 60.6 -96.6 3.1 -0.7 31.8 12.5 74 79 A G S S- 0 0 15 1,-0.3 2,-0.1 38,-0.1 37,-0.1 0.169 106.3 -20.8 -98.0-144.7 0.1 28.7 14.6 75 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.456 50.3-155.4 -62.6 136.4 3.3 26.9 15.6 76 81 A R S S+ 0 0 124 -2,-0.1 8,-1.9 -3,-0.1 2,-0.3 0.432 75.8 42.8 -97.1 -2.0 6.1 27.8 13.3 77 82 A T B S-F 83 0A 82 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.989 74.0-137.3-137.8 148.6 8.2 24.6 13.9 78 83 A D > - 0 0 33 4,-2.0 3,-2.4 -2,-0.3 4,-0.0 -0.435 42.8 -86.8 -94.7-179.8 7.1 20.9 14.3 79 84 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.641 127.6 57.0 -64.1 -11.8 8.4 18.3 16.8 80 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.416 121.2-106.1 -97.1 3.3 11.4 17.5 14.6 81 86 A G S < S+ 0 0 47 -3,-2.4 2,-0.4 1,-0.3 -53,-0.3 0.674 71.7 146.5 84.1 16.0 12.5 21.1 14.5 82 87 A R - 0 0 63 -55,-0.1 -4,-2.0 -53,-0.1 -1,-0.3 -0.708 52.9-115.1 -89.1 135.5 11.3 21.7 11.0 83 88 A G E -dF 29 77A 0 -55,-2.4 -53,-2.8 -2,-0.4 2,-0.5 -0.361 25.7-143.4 -56.1 147.1 10.0 25.1 10.0 84 89 A L E +d 30 0A 28 -8,-1.9 -12,-0.6 -55,-0.2 2,-0.3 -0.966 42.9 123.6-118.9 111.1 6.3 25.0 9.0 85 90 A A E -dE 31 71A 0 -55,-1.4 -53,-2.1 -2,-0.5 2,-0.5 -0.965 62.0 -99.6-158.5 170.1 5.4 27.3 6.1 86 91 A Y E - 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