==== 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 2F0L . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.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) . 7444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 68.1 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 . 2 1.5 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 . 9 6.7 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 20.7 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 1 0 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 0 100 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 145.8 -12.7 23.6 -6.9 2 8 A H - 0 0 123 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.975 360.0-122.6-137.9 151.2 -14.0 20.4 -5.3 3 9 A K - 0 0 93 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.686 22.7-171.8 -92.5 143.7 -12.7 17.7 -3.1 4 10 A E E -A 68 0A 22 64,-2.0 64,-3.1 -2,-0.3 2,-0.0 -0.979 27.3-106.2-131.1 146.4 -12.7 14.0 -4.0 5 11 A P E +A 67 0A 93 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.337 37.1 171.3 -76.1 155.4 -11.8 11.1 -1.7 6 12 A A E -A 66 0A 12 60,-1.7 60,-0.6 15,-0.1 2,-0.4 -0.928 24.6-129.9-149.6 165.3 -8.6 9.0 -1.9 7 13 A T E -B 20 0A 98 13,-1.8 13,-2.8 -2,-0.3 2,-0.2 -0.982 26.6-112.7-125.5 137.0 -7.0 6.3 0.2 8 14 A L E +B 19 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.396 37.3 164.7 -67.1 136.3 -3.5 6.4 1.5 9 15 A I E - 0 0 81 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.731 68.9 -16.3-107.9 -51.6 -1.2 3.7 0.1 10 16 A K E -B 18 0A 122 8,-2.2 8,-3.0 0, 0.0 2,-0.5 -0.955 50.5-135.8-156.1 128.8 2.2 5.1 1.1 11 17 A A E +B 17 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.821 27.0 177.4 -81.3 130.8 3.7 8.3 2.4 12 18 A I E - 0 0 57 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.793 55.2 -23.6-103.0 -39.9 7.0 8.8 0.4 13 19 A D E > S-B 16 0A 8 3,-1.8 3,-0.5 39,-0.1 -1,-0.3 -0.871 82.0 -71.0-156.3-176.1 8.5 12.2 1.5 14 20 A G T 3 S+ 0 0 0 22,-0.4 83,-0.1 -2,-0.3 23,-0.1 0.813 132.5 21.3 -57.6 -30.4 7.4 15.5 2.9 15 21 A D T 3 S+ 0 0 4 20,-0.1 15,-2.6 21,-0.1 2,-0.4 0.265 111.6 76.4-128.8 15.7 5.7 16.4 -0.3 16 22 A T E < +BC 13 29A 14 -3,-0.5 -4,-2.5 13,-0.2 -3,-1.8 -0.982 49.6 174.6-137.1 129.1 5.0 13.2 -2.1 17 23 A L E -BC 11 28A 0 11,-2.2 11,-4.0 -2,-0.4 2,-0.6 -0.948 27.2-137.3-130.3 147.6 2.3 10.6 -1.5 18 24 A K E +BC 10 27A 82 -8,-3.0 -9,-2.5 -2,-0.3 -8,-2.2 -0.964 37.3 174.1-103.0 118.5 1.1 7.4 -3.1 19 25 A L E -BC 8 26A 0 7,-3.0 7,-3.1 -2,-0.6 2,-0.6 -0.868 38.1-123.5-123.3 154.8 -2.7 7.3 -3.1 20 26 A M E +BC 7 25A 74 -13,-2.8 -13,-1.8 -2,-0.3 2,-0.4 -0.921 40.9 175.8 -91.7 117.9 -5.5 5.2 -4.4 21 27 A Y E > - C 0 24A 31 3,-3.3 3,-2.1 -2,-0.6 -15,-0.1 -0.997 65.1 -11.9-131.9 127.0 -7.6 7.6 -6.5 22 28 A K T 3 S- 0 0 124 -17,-0.4 -1,-0.2 -2,-0.4 -16,-0.1 0.901 130.3 -56.0 51.1 41.7 -10.6 6.6 -8.6 23 29 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.503 118.4 106.5 72.1 1.5 -9.5 3.0 -8.1 24 30 A Q E < S-C 21 0A 135 -3,-2.1 -3,-3.3 2,-0.0 2,-0.3 -0.935 73.1-119.7-114.7 142.4 -6.0 3.5 -9.4 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.642 44.9 172.5 -73.4 131.8 -2.7 3.8 -7.5 26 32 A M E -C 19 0A 42 -7,-3.1 -7,-3.0 -2,-0.3 2,-0.4 -0.997 34.1-128.0-145.4 141.0 -1.2 7.2 -8.2 27 33 A T E -C 18 0A 44 -2,-0.3 55,-2.4 53,-0.3 2,-0.4 -0.774 28.8-161.3 -87.0 131.7 1.8 9.3 -7.0 28 34 A F E -Cd 17 82A 0 -11,-4.0 -11,-2.2 -2,-0.4 2,-0.4 -0.931 9.5-154.9-115.7 141.9 0.7 12.8 -5.9 29 35 A R E -Cd 16 83A 39 53,-3.0 55,-1.6 -2,-0.4 2,-0.4 -0.957 30.7-114.3-107.1 128.6 3.0 15.8 -5.5 30 36 A L E > - d 0 84A 1 -15,-2.6 3,-0.9 -2,-0.4 55,-0.2 -0.533 35.8-120.5 -66.6 121.5 1.7 18.5 -3.0 31 37 A L T 3 S+ 0 0 14 53,-2.2 55,-0.1 -2,-0.4 -1,-0.1 -0.341 81.4 3.9 -59.1 139.8 0.9 21.7 -4.9 32 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.4 80,-0.1 2,-0.4 0.361 106.0 96.8 74.4 7.1 2.6 25.0 -4.1 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.976 50.9-160.8-132.6 146.3 5.1 23.8 -1.5 34 40 A D E -H 104 0B 51 70,-2.6 70,-2.4 -2,-0.4 3,-0.0 -0.984 14.6-171.6-112.7 118.0 8.7 22.7 -1.3 35 41 A T - 0 0 4 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.773 38.6 -90.7-103.8 158.2 9.7 20.6 1.7 36 42 A P - 0 0 10 0, 0.0 -22,-0.4 0, 0.0 2,-0.3 -0.373 52.6-118.6 -64.4 147.6 13.4 19.7 2.4 37 43 A E - 0 0 50 1,-0.1 9,-2.5 -24,-0.1 12,-0.3 -0.634 30.9-175.7 -96.5 147.3 14.2 16.4 0.8 38 44 A T S S+ 0 0 36 -2,-0.3 -1,-0.1 7,-0.3 -25,-0.1 0.583 75.5 72.1 -98.9 -28.4 15.3 13.0 2.2 39 45 A K + 0 0 104 6,-0.1 5,-0.5 10,-0.1 7,-0.2 0.081 63.7 72.5 -73.7-172.4 15.8 11.6 -1.3 40 46 A H > - 0 0 86 3,-0.1 4,-0.8 1,-0.1 3,-0.2 0.692 51.9-144.0 76.9 129.9 18.5 12.4 -3.9 41 47 A P T 4 S+ 0 0 134 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.683 102.6 70.3 -85.6 -24.1 22.1 11.4 -4.0 42 48 A K T 4 S+ 0 0 160 1,-0.1 -3,-0.0 2,-0.1 -2,-0.0 -0.757 123.1 2.7 -91.3 74.4 22.4 14.8 -5.6 43 49 A K T 4 S- 0 0 107 -2,-1.1 2,-0.3 -3,-0.2 -3,-0.1 -0.593 95.0-149.4 144.2 -68.0 21.7 16.8 -2.4 44 50 A G < - 0 0 24 -4,-0.8 2,-1.0 -5,-0.5 -2,-0.1 -0.766 56.5 -20.0 105.7-145.5 21.3 14.0 0.2 45 51 A V S S- 0 0 96 -2,-0.3 -7,-0.3 -4,-0.1 3,-0.1 -0.804 78.4-151.1 -89.4 95.9 19.1 14.2 3.3 46 52 A E > - 0 0 62 -9,-2.5 3,-1.5 -2,-1.0 2,-0.2 -0.180 30.7 -76.5 -69.2 167.9 18.7 17.9 3.6 47 53 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.433 119.0 8.8 -68.1 128.6 18.1 19.6 6.9 48 54 A Y T 3> S+ 0 0 39 -2,-0.2 4,-2.7 -3,-0.1 5,-0.3 0.256 96.2 116.5 79.8 -6.0 14.5 19.2 8.3 49 55 A G H <> S+ 0 0 0 -3,-1.5 4,-2.2 -12,-0.3 -11,-0.2 0.973 77.4 44.9 -50.2 -59.5 13.9 16.7 5.4 50 56 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.870 113.6 51.5 -55.6 -35.0 13.4 13.9 7.9 51 57 A E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.866 109.6 47.6 -70.6 -39.4 11.1 16.2 10.1 52 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -3,-0.2 5,-0.2 0.858 111.7 51.9 -67.1 -39.0 8.9 17.2 7.2 53 59 A S H X S+ 0 0 23 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.896 110.3 47.0 -69.0 -39.1 8.6 13.6 6.1 54 60 A A H X S+ 0 0 41 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.900 111.6 52.5 -70.9 -34.7 7.6 12.5 9.6 55 61 A F H X S+ 0 0 59 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.965 112.3 43.2 -63.5 -49.6 5.1 15.3 9.8 56 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.968 114.7 52.0 -60.0 -44.6 3.4 14.5 6.5 57 63 A K H X S+ 0 0 75 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.942 111.9 43.1 -59.5 -50.7 3.4 10.8 7.3 58 64 A K H X S+ 0 0 87 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.931 112.8 53.7 -66.3 -39.8 1.8 11.0 10.7 59 65 A M H < S+ 0 0 40 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.909 116.8 36.3 -63.2 -38.4 -0.8 13.5 9.5 60 66 A V H >< S+ 0 0 5 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 0.867 116.3 52.3 -83.6 -31.2 -2.0 11.3 6.6 61 67 A E H 3< S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.833 110.6 48.1 -70.2 -28.9 -1.6 8.0 8.4 62 68 A N T 3< S+ 0 0 130 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 0.370 89.0 113.0 -93.2 5.1 -3.7 9.1 11.4 63 69 A A < - 0 0 25 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.0 -0.475 56.7-153.8 -82.0 143.7 -6.6 10.6 9.4 64 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.883 87.9 20.6 -71.3 -40.0 -10.1 9.2 9.3 65 71 A K - 0 0 115 -58,-0.0 24,-2.5 2,-0.0 2,-0.4 -0.995 64.1-164.1-132.2 137.5 -10.6 10.7 5.8 66 72 A L E -AE 6 88A 15 -60,-0.6 -60,-1.7 -2,-0.4 2,-0.3 -0.973 12.6-177.4-119.9 140.8 -8.2 11.9 3.1 67 73 A E E -AE 5 87A 45 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.969 14.2-147.5-133.9 147.9 -9.4 14.1 0.2 68 74 A V E -AE 4 86A 0 -64,-3.1 -64,-2.0 -2,-0.3 2,-0.5 -0.936 7.6-164.9-118.0 141.7 -7.6 15.5 -2.9 69 75 A E E - E 0 85A 6 16,-2.4 16,-3.0 -2,-0.4 -66,-0.1 -0.942 7.9-154.0-131.2 106.9 -8.4 18.8 -4.5 70 76 A F E - E 0 84A 19 -2,-0.5 -68,-0.3 -68,-0.5 14,-0.2 -0.403 16.1-131.5 -71.6 152.4 -7.1 19.5 -8.0 71 77 A D - 0 0 1 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.128 32.9 -91.7 -91.3-162.6 -6.5 23.1 -9.0 72 78 A K S S+ 0 0 121 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.612 102.5 58.3 -90.8 -10.0 -7.8 24.7 -12.2 73 79 A G S S- 0 0 15 1,-0.3 2,-0.1 38,-0.1 37,-0.1 0.278 107.8 -22.5 -96.4-144.4 -4.7 24.1 -14.4 74 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.386 50.2-155.0 -70.9 147.6 -2.9 20.9 -15.4 75 81 A R S S+ 0 0 112 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.560 73.6 43.7-105.4 -4.4 -3.5 18.0 -13.0 76 82 A T B S-F 82 0A 79 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.978 72.5-138.5-131.8 151.8 -0.3 16.0 -13.6 77 83 A D > - 0 0 29 4,-1.9 3,-2.2 -2,-0.3 4,-0.1 -0.355 45.2 -83.3 -93.9-177.0 3.3 17.1 -14.0 78 84 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.662 127.8 58.5 -64.7 -9.9 5.8 15.7 -16.5 79 85 A Y T 3 S- 0 0 159 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.446 119.8-105.3 -99.2 5.5 6.6 12.8 -14.2 80 86 A G S < S+ 0 0 50 -3,-2.2 2,-0.4 1,-0.3 -53,-0.3 0.544 72.8 145.1 85.9 9.4 3.0 11.6 -14.2 81 87 A R - 0 0 64 -55,-0.1 -4,-1.9 -4,-0.1 -1,-0.3 -0.672 52.8-118.7 -84.7 134.4 2.4 12.8 -10.7 82 88 A G E -dF 28 76A 0 -55,-2.4 -53,-3.0 -2,-0.4 2,-0.6 -0.405 23.0-142.3 -59.3 142.5 -1.0 14.2 -9.7 83 89 A L E +d 29 0A 25 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.939 43.2 133.1-114.0 107.2 -0.8 17.9 -8.6 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.2 -2,-0.6 2,-0.4 -0.954 59.5-108.1-151.7 165.4 -3.2 18.6 -5.8 85 91 A Y E - 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