==== 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 26-MAY-00 1F2M . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.HODEL,P.C.HARKINS,D.M.ADELMAN,M.A.WHITE,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7725.0 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 . 38 27.9 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 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 . 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 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 . 3 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 0 234 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.1 -2.2 39.1 22.3 2 7 A L - 0 0 42 68,-0.1 2,-0.4 113,-0.0 70,-0.1 -0.599 360.0-152.3 -82.8 151.1 0.4 36.7 20.9 3 8 A H - 0 0 135 68,-0.3 68,-0.5 -2,-0.2 2,-0.3 -0.961 8.4-132.0-129.3 138.7 3.7 38.2 19.8 4 9 A K E -A 70 0A 75 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.695 23.4-170.7 -89.2 139.9 6.2 37.0 17.2 5 10 A E E -A 69 0A 30 64,-2.3 64,-2.9 -2,-0.3 2,-0.1 -0.969 23.9-110.8-128.4 148.2 9.9 36.9 18.2 6 11 A P E +A 68 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.365 38.4 168.1 -76.9 155.8 13.0 36.3 16.0 7 12 A A E -A 67 0A 14 60,-1.7 60,-0.6 15,-0.1 2,-0.4 -0.928 28.1-122.7-153.5 172.6 15.1 33.2 16.3 8 13 A T E -B 21 0A 92 13,-2.0 13,-2.7 -2,-0.3 58,-0.0 -0.990 26.2-116.1-130.9 128.5 17.8 31.5 14.3 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.324 35.9 166.5 -60.3 133.9 17.7 28.0 12.9 10 15 A I E - 0 0 71 9,-2.1 2,-0.3 1,-0.2 10,-0.2 0.662 66.1 -23.6-109.7 -58.4 20.3 25.7 14.4 11 16 A K E -B 19 0A 123 8,-1.5 8,-3.2 0, 0.0 2,-0.5 -0.982 52.5-125.5-160.4 135.9 19.2 22.3 13.2 12 17 A A E +B 18 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.722 29.3 178.7 -82.0 127.4 15.9 20.6 12.1 13 18 A I E - 0 0 42 4,-1.5 2,-0.3 -2,-0.5 5,-0.2 0.826 55.9 -24.1-100.2 -42.0 15.4 17.6 14.3 14 19 A D E > S-B 17 0A 7 3,-2.6 3,-0.6 40,-0.1 -1,-0.3 -0.907 76.4 -81.3-157.7 179.0 12.1 15.9 13.3 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.848 132.1 30.7 -61.7 -30.1 8.9 16.9 11.6 16 21 A D T 3 S+ 0 0 3 20,-0.1 15,-2.5 1,-0.1 2,-0.4 0.310 117.0 63.8-110.4 8.5 7.6 18.3 14.9 17 22 A T E < +BC 14 30A 12 -3,-0.6 -3,-2.6 13,-0.2 -4,-1.5 -0.996 50.3 168.0-141.2 131.8 10.9 19.4 16.5 18 23 A V E -BC 12 29A 0 11,-2.1 11,-3.3 -2,-0.4 2,-0.5 -0.981 28.1-132.5-139.9 144.6 13.5 22.0 15.5 19 24 A K E +BC 11 28A 78 -8,-3.2 -9,-2.1 -2,-0.3 -8,-1.5 -0.891 33.4 178.5 -99.6 132.2 16.5 23.4 17.5 20 25 A L E -BC 9 27A 0 7,-3.3 7,-2.9 -2,-0.5 2,-0.7 -0.875 36.6-118.9-131.7 163.2 16.8 27.2 17.4 21 26 A M E +BC 8 26A 65 -13,-2.7 -13,-2.0 -2,-0.3 2,-0.5 -0.928 41.9 175.5-100.5 112.8 18.9 30.0 18.8 22 27 A Y E > - C 0 25A 16 3,-2.5 3,-1.9 -2,-0.7 -15,-0.1 -0.990 64.5 -15.1-127.7 121.1 16.5 32.0 20.8 23 28 A K T 3 S- 0 0 137 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.916 127.9 -53.4 53.0 47.5 17.6 35.0 22.9 24 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -17,-0.0 0.395 121.1 98.9 74.4 -6.2 21.3 33.9 22.6 25 30 A Q E < S-C 22 0A 104 -3,-1.9 -3,-2.5 2,-0.0 2,-0.1 -0.965 74.2-121.7-122.0 133.9 20.6 30.4 23.9 26 31 A P E +C 21 0A 83 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.458 41.5 173.5 -64.4 140.3 20.2 27.2 21.8 27 32 A M E -C 20 0A 41 -7,-2.9 -7,-3.3 -2,-0.1 2,-0.4 -0.997 32.8-124.1-155.2 144.8 16.9 25.6 22.5 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.801 28.3-156.3 -92.2 131.2 14.8 22.7 21.3 29 34 A F E -Cd 18 83A 0 -11,-3.3 -11,-2.1 -2,-0.4 2,-0.5 -0.942 8.3-155.8-114.3 133.1 11.3 23.7 20.1 30 35 A R E -Cd 17 84A 36 53,-3.1 55,-1.6 -2,-0.4 2,-0.5 -0.899 31.0-116.9-102.6 124.7 8.3 21.4 19.9 31 36 A L E > - d 0 85A 2 -15,-2.5 3,-1.1 -2,-0.5 55,-0.2 -0.536 35.0-120.1 -67.3 117.4 5.6 22.6 17.4 32 37 A L T 3 S+ 0 0 14 53,-2.6 55,-0.1 -2,-0.5 -1,-0.1 -0.266 81.6 3.3 -60.4 142.3 2.4 23.4 19.3 33 38 A L T 3 S+ 0 0 13 75,-0.2 74,-1.5 80,-0.1 2,-0.4 0.533 102.7 102.2 64.0 14.9 -0.8 21.6 18.5 34 39 A V E < -H 106 0B 0 -3,-1.1 2,-0.5 72,-0.3 72,-0.2 -0.983 49.2-160.6-133.0 142.6 0.4 19.2 15.8 35 40 A D E -H 105 0B 77 70,-2.8 70,-2.4 -2,-0.4 -3,-0.0 -0.979 17.2-173.8-119.3 119.9 1.3 15.5 15.9 36 41 A T - 0 0 8 -2,-0.5 2,-0.2 68,-0.2 68,-0.2 -0.726 37.1 -96.8-110.6 157.1 3.5 14.3 13.0 37 42 A P - 0 0 13 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.585 55.2-131.3 -68.0 137.2 4.5 10.7 12.2 38 43 A E - 0 0 45 -2,-0.2 9,-2.8 1,-0.1 12,-0.2 -0.503 34.4-173.2 -98.5 160.2 7.9 10.4 13.8 39 44 A T S S+ 0 0 37 7,-0.2 -1,-0.1 11,-0.2 -25,-0.1 0.484 99.9 41.3-112.7 -23.9 11.3 9.2 12.7 40 45 A K S S+ 0 0 136 10,-0.1 6,-0.2 6,-0.0 -26,-0.0 -0.209 81.7 154.1-115.3 34.4 12.8 9.5 16.2 41 46 A H B > -I 45 0C 46 4,-2.2 4,-1.2 1,-0.1 5,-0.0 -0.553 45.5-135.9 -68.6 127.9 9.7 8.1 17.9 42 47 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.684 97.8 24.6 -58.2 -25.4 10.8 6.5 21.3 43 48 A K T 4 S+ 0 0 193 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.768 135.3 25.4-111.2 -38.1 8.6 3.3 20.8 44 49 A K T 4 S- 0 0 151 1,-0.2 2,-1.0 0, 0.0 -4,-0.0 0.754 79.7-157.8 -99.4 -28.9 8.1 2.9 17.0 45 50 A G B < S+I 41 0C 26 -4,-1.2 -4,-2.2 2,-0.0 2,-0.6 -0.778 70.8 20.0 89.8-102.4 11.1 4.6 15.5 46 51 A V S S- 0 0 96 -2,-1.0 -7,-0.2 -6,-0.2 2,-0.1 -0.908 73.5-175.4-109.7 116.7 10.1 5.5 11.9 47 52 A E > - 0 0 55 -9,-2.8 3,-1.2 -2,-0.6 2,-0.2 -0.388 40.7 -68.6 -99.0-179.8 6.4 5.6 11.1 48 53 A K T 3 S+ 0 0 151 1,-0.2 -1,-0.1 2,-0.2 86,-0.0 -0.495 121.2 9.9 -73.8 137.8 4.6 6.1 7.8 49 54 A Y T 3> S+ 0 0 45 -2,-0.2 4,-2.8 -3,-0.1 -1,-0.2 0.391 96.0 118.9 72.4 1.2 5.0 9.7 6.3 50 55 A G H <> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 0.935 75.0 43.6 -61.3 -50.1 7.5 10.2 9.0 51 56 A P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.863 113.8 53.7 -64.1 -32.4 10.4 10.9 6.5 52 57 A E H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 110.4 44.6 -65.9 -49.2 8.0 13.1 4.5 53 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.919 113.5 50.2 -63.4 -45.6 7.0 15.3 7.5 54 59 A S H X S+ 0 0 21 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.871 112.2 48.0 -61.2 -38.9 10.6 15.6 8.7 55 60 A A H X S+ 0 0 54 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.913 110.1 52.0 -68.4 -43.3 11.7 16.6 5.2 56 61 A F H X S+ 0 0 60 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.945 113.4 43.0 -58.8 -50.2 8.9 19.1 4.8 57 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.945 114.8 51.3 -61.9 -45.8 9.7 20.9 8.1 58 63 A K H X S+ 0 0 105 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.923 112.1 44.5 -58.2 -49.2 13.4 20.8 7.4 59 64 A K H X S+ 0 0 140 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.911 112.1 54.2 -63.7 -41.2 13.1 22.3 3.9 60 65 A M H < S+ 0 0 36 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.887 115.2 36.7 -61.3 -45.3 10.7 25.0 5.2 61 66 A V H < S+ 0 0 2 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.870 116.0 52.8 -78.4 -35.3 12.9 26.3 8.0 62 67 A E H < S+ 0 0 99 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.843 111.4 46.3 -69.7 -31.6 16.2 25.9 6.1 63 68 A N S < S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.553 92.0 104.2 -85.3 -12.6 15.0 27.9 3.1 64 69 A A - 0 0 20 -3,-0.5 3,-0.1 -4,-0.4 -3,-0.0 -0.398 55.1-160.9 -69.5 146.1 13.5 30.7 5.2 65 70 A K S S+ 0 0 183 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.613 84.3 33.0-100.5 -14.4 15.3 34.0 5.5 66 71 A K - 0 0 118 2,-0.0 24,-3.1 -60,-0.0 2,-0.4 -0.976 67.8-171.4-143.0 118.5 13.4 35.0 8.7 67 72 A I E -AE 7 89A 13 -60,-0.6 -60,-1.7 -2,-0.4 2,-0.4 -0.938 8.1-174.7-110.4 137.0 12.3 32.5 11.3 68 73 A E E -AE 6 88A 46 20,-2.3 20,-3.2 -2,-0.4 2,-0.4 -0.983 13.8-147.7-132.7 143.3 10.0 33.7 14.2 69 74 A V E -AE 5 87A 0 -64,-2.9 -64,-2.3 -2,-0.4 2,-0.5 -0.901 8.2-165.5-110.0 142.2 8.7 31.9 17.2 70 75 A E E -AE 4 86A 8 16,-2.5 16,-2.8 -2,-0.4 -66,-0.2 -0.954 8.0-154.5-130.2 107.2 5.3 32.6 18.7 71 76 A F E - E 0 85A 13 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.469 15.4-133.7 -75.4 154.2 4.6 31.4 22.3 72 77 A D - 0 0 4 12,-0.6 41,-0.2 3,-0.3 -1,-0.1 -0.132 34.2 -85.3 -91.1-159.7 0.9 30.8 23.2 73 78 A K S S+ 0 0 124 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.650 102.9 50.1 -88.1 -16.5 -0.7 31.9 26.5 74 79 A G S S- 0 0 21 1,-0.3 2,-0.1 36,-0.1 37,-0.1 0.288 108.1 -16.6 -96.0-137.9 0.1 29.1 28.9 75 80 A Q - 0 0 130 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.385 50.1-153.7 -67.5 149.7 3.4 27.3 29.7 76 81 A R S S+ 0 0 129 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.463 74.2 44.7-104.9 -5.6 6.2 27.9 27.3 77 82 A T B S-F 83 0A 77 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.968 72.9-137.6-137.8 145.0 8.3 24.7 27.9 78 83 A D > - 0 0 30 4,-2.2 3,-2.5 -2,-0.3 4,-0.1 -0.469 45.2 -83.3 -91.7 179.2 7.1 21.1 28.2 79 84 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.729 128.7 56.5 -57.5 -23.3 8.5 18.6 30.8 80 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.301 121.3-105.7 -89.9 7.4 11.5 17.8 28.6 81 86 A G S < S+ 0 0 46 -3,-2.5 2,-0.4 1,-0.3 -53,-0.3 0.646 72.6 144.4 80.0 13.3 12.5 21.4 28.5 82 87 A R - 0 0 64 -4,-0.1 -4,-2.2 -55,-0.1 -1,-0.3 -0.733 53.5-116.1 -87.8 134.5 11.4 21.9 24.9 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.1 -2,-0.4 2,-0.6 -0.387 23.1-139.3 -66.0 144.0 9.9 25.3 24.1 84 89 A L E +d 30 0A 24 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.920 44.7 131.1-109.8 109.3 6.2 25.2 23.0 85 90 A A E -dE 31 71A 0 -55,-1.6 -53,-2.6 -2,-0.6 2,-0.5 -0.929 61.1-106.5-153.7 170.8 5.5 27.5 20.1 86 91 A Y E - 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