==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORIC DIESTER) 07-JAN-94 1SYB . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.R.HYNES,R.A.KAUTZ,M.A.GOODMAN,J.F.GILL,R.O.FOX . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 67.9 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 . 33 24.1 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 . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.4 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 2 2 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 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 0 206 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -58.7 -0.9 39.7 22.3 2 7 A L - 0 0 28 1,-0.1 2,-0.5 69,-0.0 71,-0.1 -0.556 360.0-109.4 -72.5 141.3 1.0 36.5 21.8 3 8 A H + 0 0 76 69,-0.4 69,-2.7 70,-0.3 2,-0.3 -0.651 44.2 177.3 -79.2 123.0 4.8 36.9 22.5 4 9 A K E +A 71 0A 88 -2,-0.5 67,-0.2 67,-0.2 65,-0.0 -0.956 5.5 159.9-129.6 138.9 6.8 36.5 19.2 5 10 A E E -A 70 0A 33 65,-2.5 65,-3.6 -2,-0.3 18,-0.0 -0.985 38.6 -91.2-155.3 160.3 10.5 36.9 18.5 6 11 A P E +A 69 0A 80 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.257 38.8 175.6 -70.1 159.4 13.3 36.0 16.1 7 12 A A E -AB 68 22A 10 61,-1.8 61,-0.6 15,-0.2 2,-0.4 -0.924 23.6-126.4-157.9 160.2 15.3 32.8 16.3 8 13 A T E - B 0 21A 98 13,-2.0 13,-3.6 -2,-0.3 2,-0.1 -0.957 28.3-109.7-119.7 136.2 18.0 31.2 14.1 9 14 A L E + B 0 20A 44 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.395 35.8 167.9 -63.1 136.1 17.9 27.7 12.9 10 15 A I E - 0 0 74 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.753 69.0 -30.4-108.2 -57.8 20.4 25.3 14.4 11 16 A K E - B 0 19A 120 8,-2.0 8,-3.7 51,-0.0 2,-0.4 -0.964 48.8-123.8-165.5 144.0 19.0 22.0 13.0 12 17 A A E - B 0 18A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.744 25.2-178.0 -87.3 131.0 15.7 20.4 11.9 13 18 A I - 0 0 55 4,-2.3 2,-0.2 1,-0.4 5,-0.2 0.858 58.1 -39.2 -96.4 -51.9 15.2 17.1 13.8 14 19 A D S S- 0 0 11 3,-2.0 -1,-0.4 40,-0.1 3,-0.4 -0.752 83.3 -58.5-155.1-163.7 11.9 15.8 12.4 15 20 A G S S+ 0 0 0 23,-0.4 84,-0.1 -2,-0.2 24,-0.1 0.777 132.1 20.8 -62.3 -32.4 8.5 17.1 11.3 16 21 A D S S+ 0 0 7 22,-0.1 16,-2.5 21,-0.1 2,-0.4 0.320 113.2 68.9-122.7 12.5 7.6 18.7 14.6 17 22 A T E + C 0 31A 12 -3,-0.4 -4,-2.3 14,-0.2 -3,-2.0 -0.999 52.0 165.9-135.1 129.9 10.9 19.2 16.5 18 23 A V E -BC 12 30A 2 12,-2.2 12,-3.6 -2,-0.4 2,-0.5 -0.989 30.8-129.7-142.4 149.7 13.6 21.7 15.5 19 24 A K E +BC 11 29A 77 -8,-3.7 -9,-2.8 -2,-0.3 -8,-2.0 -0.840 35.7 172.7-103.1 128.2 16.6 23.1 17.3 20 25 A L E -BC 9 28A 0 8,-2.8 8,-3.2 -2,-0.5 2,-0.7 -0.918 39.0-116.5-132.2 163.5 16.9 26.9 17.2 21 26 A M E -BC 8 27A 65 -13,-3.6 -13,-2.0 -2,-0.3 2,-0.1 -0.897 43.0-141.7-102.6 111.0 19.0 29.7 18.7 22 27 A S E > -B 7 0A 7 4,-1.9 3,-2.5 -2,-0.7 -15,-0.2 -0.329 23.8-107.8 -72.9 159.5 16.6 31.7 20.8 23 28 A S T 3 S+ 0 0 67 -17,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.638 120.4 69.6 -61.4 -16.9 16.5 35.5 21.1 24 29 A N T 3 S- 0 0 136 2,-0.2 -1,-0.3 1,-0.0 -17,-0.1 0.741 117.0-114.9 -67.9 -36.2 17.8 34.6 24.6 25 30 A G S < S+ 0 0 58 -3,-2.5 -2,-0.2 1,-0.3 -18,-0.0 0.508 79.1 117.9 102.9 13.6 21.1 33.5 23.0 26 31 A S - 0 0 67 -4,-0.1 -4,-1.9 2,-0.0 -1,-0.3 -0.949 67.7-121.5-115.9 134.2 20.6 29.9 24.0 27 32 A P E +C 21 0A 69 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.534 42.3 174.8 -69.1 126.6 20.3 26.8 21.8 28 32BA M E -C 20 0A 44 -8,-3.2 -8,-2.8 -2,-0.3 2,-0.4 -0.985 34.3-124.0-138.4 149.6 16.9 25.1 22.5 29 33 A T E -C 19 0A 40 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.793 31.8-158.5 -88.5 131.8 14.9 22.3 21.1 30 34 A F E -Cd 18 84A 1 -12,-3.6 -12,-2.2 -2,-0.4 2,-0.5 -0.937 8.7-159.2-115.4 141.4 11.4 23.4 20.1 31 35 A R E -Cd 17 85A 22 53,-3.0 55,-1.4 -2,-0.4 -14,-0.2 -0.969 30.0-114.0-117.0 127.8 8.3 21.2 19.7 32 36 A L E > - d 0 86A 4 -16,-2.5 3,-0.9 -2,-0.5 55,-0.2 -0.427 32.4-116.2 -63.9 130.7 5.5 22.7 17.5 33 37 A L T 3 S+ 0 0 11 53,-2.4 55,-0.1 1,-0.2 -1,-0.1 -0.324 84.9 3.3 -67.3 149.2 2.3 23.4 19.4 34 38 A L T 3 S+ 0 0 3 75,-0.5 74,-1.3 80,-0.2 2,-0.3 0.450 107.6 92.1 56.6 14.8 -0.9 21.6 18.6 35 39 A V E < -H 107 0B 0 -3,-0.9 2,-0.4 72,-0.3 72,-0.2 -0.930 51.1-159.3-133.0 164.9 0.4 19.2 16.0 36 40 A D E -H 106 0B 45 70,-1.7 70,-1.8 -2,-0.3 3,-0.1 -0.971 8.9-166.6-142.3 116.1 1.8 15.7 15.7 37 41 A T - 0 0 2 -2,-0.4 68,-0.2 68,-0.2 14,-0.1 -0.686 44.4 -82.0 -97.5 155.3 3.9 14.6 12.7 38 42 A P - 0 0 11 0, 0.0 -23,-0.4 0, 0.0 -22,-0.1 -0.261 53.8-101.6 -60.7 141.2 4.5 10.8 12.3 39 43 A E + 0 0 55 1,-0.1 9,-2.1 -25,-0.1 12,-0.2 -0.297 41.2 167.8 -67.1 146.7 7.3 9.4 14.3 40 44 A T S S+ 0 0 27 7,-0.2 -1,-0.1 11,-0.1 7,-0.1 0.431 73.0 37.7-135.0 -9.5 10.7 8.6 12.9 41 45 A K S S+ 0 0 149 3,-0.1 6,-0.1 1,-0.0 -2,-0.0 0.723 86.5 87.2-117.8 -31.6 13.0 8.0 15.9 42 46 A H > - 0 0 93 4,-0.2 4,-0.9 2,-0.2 -1,-0.0 -0.668 69.9-129.4 -84.9 133.9 11.3 6.1 18.7 43 47 A P T 4 S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.458 87.9 86.7 -53.6 -6.6 11.2 2.3 19.0 44 48 A K T 4 S- 0 0 162 2,-0.2 -2,-0.2 1,-0.1 -3,-0.1 -0.882 109.4 -3.9-106.1 118.4 7.4 2.4 19.6 45 49 A K T 4 S- 0 0 187 -2,-0.6 2,-0.4 2,-0.1 -1,-0.1 -0.045 102.4-139.1 89.3 -23.0 5.2 2.5 16.4 46 50 A G < - 0 0 27 -4,-0.9 2,-0.8 2,-0.1 -4,-0.2 -0.684 59.1 -11.6 85.7-129.8 8.5 2.6 14.5 47 51 A V S S- 0 0 102 -2,-0.4 -7,-0.2 -6,-0.1 3,-0.1 -0.949 85.0-146.2-107.8 91.7 9.0 4.8 11.4 48 52 A E > - 0 0 54 -9,-2.1 3,-1.6 -2,-0.8 2,-0.2 -0.169 25.1 -85.8 -66.0 159.4 5.4 5.8 10.9 49 53 A K T 3 S+ 0 0 149 1,-0.2 -1,-0.1 2,-0.1 -10,-0.1 -0.526 117.0 17.6 -65.1 133.1 3.9 6.3 7.5 50 54 A Y T 3> S+ 0 0 40 -2,-0.2 4,-3.2 -3,-0.1 -1,-0.2 0.237 91.9 115.8 83.7 -3.9 4.5 9.9 6.3 51 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.9 -12,-0.2 -36,-0.2 0.943 77.7 43.2 -53.6 -56.6 7.2 10.5 9.0 52 56 A P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.829 115.3 50.9 -62.7 -35.6 10.1 11.0 6.5 53 57 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 110.5 47.5 -69.1 -45.7 7.8 13.2 4.3 54 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.921 113.3 50.1 -59.6 -45.4 6.8 15.4 7.3 55 59 A S H X S+ 0 0 25 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.882 110.6 48.5 -59.0 -44.2 10.5 15.6 8.3 56 60 A A H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.882 109.9 52.9 -65.4 -40.1 11.5 16.6 4.8 57 61 A F H X S+ 0 0 61 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.961 112.0 42.8 -57.9 -57.8 8.8 19.3 4.6 58 62 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.934 113.4 52.6 -55.5 -48.6 9.7 21.0 7.8 59 63 A K H X S+ 0 0 97 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.954 111.3 47.3 -53.9 -50.5 13.5 20.8 7.0 60 64 A K H X S+ 0 0 136 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.921 112.0 50.3 -55.3 -48.2 12.9 22.4 3.6 61 65 A M H < S+ 0 0 33 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.889 116.2 38.0 -62.7 -45.8 10.7 25.1 5.1 62 66 A V H < S+ 0 0 5 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.820 115.0 53.5 -81.0 -30.6 13.1 26.3 7.9 63 67 A E H < S+ 0 0 93 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.790 111.6 44.8 -74.3 -28.6 16.2 25.9 5.9 64 68 A N S < S+ 0 0 109 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.484 89.8 111.5 -90.3 -4.8 15.0 28.0 3.0 65 69 A A - 0 0 23 -4,-0.4 3,-0.1 -3,-0.4 -3,-0.0 -0.365 55.9-154.5 -75.4 146.8 13.5 30.8 5.1 66 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.825 87.6 23.8 -76.7 -40.8 15.0 34.3 5.2 67 71 A K - 0 0 137 -59,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.994 64.1-164.0-132.5 138.9 13.5 34.8 8.7 68 72 A I E -AE 7 90A 14 -61,-0.6 -61,-1.8 -2,-0.4 2,-0.4 -0.977 13.2-176.8-119.7 133.8 12.4 32.4 11.5 69 73 A E E -AE 6 89A 54 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.979 14.4-148.6-130.9 145.1 10.2 33.6 14.3 70 74 A V E -AE 5 88A 0 -65,-3.6 -65,-2.5 -2,-0.4 2,-0.5 -0.937 10.0-166.7-114.3 137.1 8.9 31.8 17.4 71 75 A E E -AE 4 87A 18 16,-2.2 16,-3.2 -2,-0.4 -67,-0.2 -0.989 8.3-151.8-127.5 117.0 5.5 32.6 18.9 72 76 A F - 0 0 17 -69,-2.7 -69,-0.4 -2,-0.5 14,-0.2 -0.593 12.9-132.0 -85.3 151.3 4.6 31.4 22.4 73 77 A D - 0 0 4 12,-0.4 -70,-0.3 3,-0.3 41,-0.1 0.013 36.5 -87.5 -83.7-163.2 1.0 30.7 23.4 74 78 A K S S+ 0 0 104 39,-0.5 40,-0.1 -72,-0.1 3,-0.1 0.586 103.7 40.8 -86.5 -20.0 -0.6 31.9 26.7 75 79 A G S S- 0 0 22 1,-0.3 37,-0.1 2,-0.0 -3,-0.0 0.203 108.7 -0.2-104.8-133.8 0.3 29.1 29.1 76 80 A Q - 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