==== 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 05-MAY-00 1EY6 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,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) . 7544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 70.4 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 . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.4 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 94 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 163.6 0.5 36.7 21.3 2 8 A H - 0 0 126 68,-0.3 68,-0.5 69,-0.1 2,-0.2 -0.991 360.0-122.4-140.0 153.7 3.6 38.0 19.5 3 9 A K - 0 0 87 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.599 27.1-170.0 -82.8 148.5 6.3 36.6 17.2 4 10 A E E -A 68 0A 36 64,-2.3 64,-2.6 -2,-0.2 2,-0.0 -0.984 26.9-100.1-136.1 155.0 9.9 36.8 18.1 5 11 A P E +A 67 0A 110 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.341 41.2 168.8 -76.7 154.3 13.0 36.1 16.0 6 12 A A E -A 66 0A 13 60,-1.8 60,-0.6 15,-0.1 2,-0.4 -0.956 26.4-129.6-151.0 165.2 15.0 32.9 16.2 7 13 A T E -B 20 0A 95 13,-1.7 13,-2.7 -2,-0.3 58,-0.0 -0.979 27.3-114.3-124.0 131.9 17.7 31.3 14.1 8 14 A L E +B 19 0A 41 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.337 35.9 167.1 -61.4 135.1 17.6 27.7 12.8 9 15 A I E - 0 0 75 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.706 66.4 -23.7-106.2 -51.6 20.1 25.4 14.3 10 16 A K E -B 18 0A 123 8,-2.0 8,-3.2 0, 0.0 2,-0.5 -0.946 48.4-130.4-159.0 134.2 18.9 22.0 13.1 11 17 A A E +B 17 0A 7 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.809 28.4 178.5 -81.9 129.0 15.6 20.4 12.0 12 18 A I E - 0 0 34 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.829 56.3 -25.0 -99.6 -43.8 15.3 17.2 14.0 13 19 A D E > S-B 16 0A 5 3,-1.8 3,-0.6 39,-0.1 -1,-0.3 -0.888 80.6 -72.4-153.5-177.7 12.0 15.6 13.0 14 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.873 133.0 25.4 -52.3 -37.9 8.6 16.6 11.5 15 21 A D T 3 S+ 0 0 7 20,-0.1 15,-2.4 21,-0.1 2,-0.4 0.348 112.5 72.5-117.8 13.5 7.6 18.2 14.8 16 22 A T E < +BC 13 29A 16 -3,-0.6 -4,-2.1 13,-0.2 -3,-1.8 -0.985 48.6 171.9-130.4 130.3 11.0 19.1 16.5 17 23 A V E -BC 11 28A 1 11,-2.1 11,-3.2 -2,-0.4 2,-0.5 -0.999 25.7-137.7-134.5 137.1 13.3 21.9 15.5 18 24 A K E +BC 10 27A 69 -8,-3.2 -9,-2.8 -2,-0.4 -8,-2.0 -0.832 33.6 176.9 -90.7 127.7 16.4 23.1 17.4 19 25 A L E -BC 8 26A 0 7,-3.0 7,-2.8 -2,-0.5 2,-0.8 -0.920 37.6-121.7-131.3 153.0 16.6 26.9 17.4 20 26 A M E -BC 7 25A 64 -13,-2.7 -13,-1.7 -2,-0.3 2,-0.5 -0.872 39.7-179.5 -88.8 110.3 18.8 29.7 18.8 21 27 A Y E > - C 0 24A 24 3,-3.4 3,-1.5 -2,-0.8 -15,-0.1 -0.960 65.6 -15.9-120.5 117.7 16.3 31.7 20.8 22 28 A K T 3 S- 0 0 165 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.938 130.4 -52.1 52.7 50.2 17.4 34.9 22.7 23 29 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.2 -17,-0.0 0.528 120.7 105.3 63.8 12.9 21.0 33.8 22.2 24 30 A Q E < S-C 21 0A 127 -3,-1.5 -3,-3.4 2,-0.0 2,-0.3 -0.958 71.3-122.8-122.9 142.3 20.4 30.3 23.6 25 31 A P E +C 20 0A 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.631 41.6 168.7 -78.4 138.3 20.1 27.0 21.8 26 32 A M E -C 19 0A 48 -7,-2.8 -7,-3.0 -2,-0.3 2,-0.5 -0.990 36.0-123.7-150.5 146.2 16.8 25.3 22.6 27 33 A T E -C 18 0A 40 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.831 29.7-157.4 -89.9 128.6 14.7 22.4 21.3 28 34 A F E -Cd 17 82A 0 -11,-3.2 -11,-2.1 -2,-0.5 2,-0.5 -0.924 8.4-156.0-109.5 133.3 11.2 23.4 20.1 29 35 A R E -Cd 16 83A 37 53,-3.4 55,-1.6 -2,-0.4 2,-0.4 -0.923 31.1-116.6 -98.8 129.7 8.2 21.1 19.9 30 36 A L E > - d 0 84A 1 -15,-2.4 3,-1.0 -2,-0.5 55,-0.2 -0.544 34.9-119.5 -65.9 122.1 5.6 22.4 17.4 31 37 A L T 3 S+ 0 0 14 53,-2.3 55,-0.1 -2,-0.4 -1,-0.1 -0.350 82.0 5.4 -60.5 142.0 2.4 23.1 19.3 32 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.0 1,-0.1 2,-0.4 0.400 103.7 99.1 75.8 8.6 -0.9 21.4 18.5 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.963 50.5-160.1-128.7 143.8 0.3 18.9 15.9 34 40 A D E -H 104 0B 69 70,-3.0 70,-2.3 -2,-0.4 -3,-0.0 -0.969 17.6-170.5-111.5 122.6 1.3 15.3 15.8 35 41 A I - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.809 34.9 -98.6-105.8 150.6 3.5 14.2 12.9 36 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.429 52.1-130.2 -57.7 140.2 4.4 10.6 12.0 37 43 A E - 0 0 54 1,-0.1 9,-2.6 -24,-0.1 12,-0.3 -0.671 27.9-164.2-104.8 156.6 7.9 10.1 13.5 38 44 A T S S+ 0 0 39 7,-0.3 2,-0.6 11,-0.2 -1,-0.1 0.558 82.7 65.7 -97.7 -22.2 11.2 8.8 12.1 39 45 A K + 0 0 133 6,-0.1 -1,-0.2 10,-0.1 6,-0.1 -0.932 65.6 89.8-116.8 111.2 12.6 8.3 15.6 40 46 A H >> - 0 0 74 -2,-0.6 4,-4.1 -3,-0.1 3,-2.2 -0.180 54.3-145.2 163.8 108.2 11.1 5.8 18.1 41 47 A P T 34 S+ 0 0 130 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.710 95.9 76.9 -50.4 -29.7 12.2 2.1 18.5 42 48 A K T 34 S- 0 0 167 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.895 129.2 -10.8 -43.6 -50.4 8.5 1.4 19.3 43 49 A K T <4 S- 0 0 102 -3,-2.2 2,-0.5 1,-0.3 -1,-0.2 0.448 87.8-150.3-131.9 -10.0 7.7 1.6 15.6 44 50 A G S < S+ 0 0 28 -4,-4.1 2,-0.8 1,-0.1 -1,-0.3 -0.638 73.6 8.7 68.9-116.7 10.9 3.0 14.1 45 51 A V S S- 0 0 88 -2,-0.5 -7,-0.3 -6,-0.1 3,-0.1 -0.840 80.2-152.3 -96.1 95.9 10.1 5.1 11.0 46 52 A E > - 0 0 63 -9,-2.6 3,-2.1 -2,-0.8 2,-0.2 -0.241 34.9 -81.1 -65.9 157.5 6.3 5.5 10.7 47 53 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.435 119.7 14.4 -61.9 129.1 4.6 6.0 7.3 48 54 A Y T 3> S+ 0 0 61 -2,-0.2 4,-2.8 -3,-0.1 -1,-0.3 0.297 96.3 113.5 81.3 -2.5 4.9 9.6 6.1 49 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.9 -12,-0.3 5,-0.3 0.956 77.3 44.1 -60.1 -55.5 7.5 10.2 8.8 50 56 A P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 116.1 49.8 -57.4 -38.1 10.4 10.8 6.3 51 57 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 112.2 45.1 -66.0 -47.3 8.0 13.0 4.3 52 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.919 114.3 50.2 -63.8 -42.4 6.9 15.1 7.3 53 59 A S H X S+ 0 0 24 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.906 112.2 46.4 -63.7 -37.2 10.5 15.4 8.4 54 60 A A H X S+ 0 0 38 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.900 110.1 55.0 -73.1 -35.2 11.7 16.5 5.0 55 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.966 111.5 41.9 -60.3 -55.9 8.8 19.0 4.7 56 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.936 114.8 53.3 -57.0 -43.1 9.6 20.8 8.0 57 63 A K H X S+ 0 0 68 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.951 110.4 44.8 -59.6 -49.9 13.3 20.7 7.2 58 64 A K H X S+ 0 0 91 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.925 111.7 54.0 -61.8 -41.8 13.0 22.3 3.7 59 65 A M H < S+ 0 0 37 -4,-2.2 4,-0.2 -5,-0.3 -2,-0.2 0.929 115.7 36.2 -65.4 -42.2 10.6 24.9 5.0 60 66 A V H >< S+ 0 0 4 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.2 0.874 115.1 53.3 -81.3 -28.3 12.8 26.1 7.8 61 67 A E H 3< S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.862 113.0 44.4 -73.5 -27.4 16.2 25.8 6.0 62 68 A N T 3< S+ 0 0 122 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.307 89.6 118.8 -96.8 5.2 15.1 27.8 3.0 63 69 A A < - 0 0 24 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.1 -0.397 59.4-147.5 -74.9 146.3 13.4 30.6 5.0 64 70 A K S S+ 0 0 194 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.870 89.0 4.4 -71.7 -38.2 14.5 34.2 4.9 65 71 A K - 0 0 110 -3,-0.0 24,-2.6 -58,-0.0 2,-0.4 -0.996 63.7-149.1-148.5 152.7 13.4 34.4 8.5 66 72 A I E -AE 6 88A 16 -60,-0.6 -60,-1.8 -2,-0.3 2,-0.4 -0.973 16.9-173.9-120.9 131.9 12.2 32.2 11.3 67 73 A E E -AE 5 87A 35 20,-2.3 20,-3.0 -2,-0.4 2,-0.4 -0.970 11.4-149.1-127.9 146.4 9.9 33.5 14.1 68 74 A V E -AE 4 86A 0 -64,-2.6 -64,-2.3 -2,-0.4 2,-0.4 -0.886 7.3-167.0-113.4 147.3 8.6 31.7 17.2 69 75 A E E - E 0 85A 17 16,-1.9 16,-2.9 -2,-0.4 -66,-0.2 -0.943 8.5-154.3-137.0 107.5 5.2 32.4 18.8 70 76 A F E - E 0 84A 18 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.450 17.6-127.7 -75.7 155.2 4.5 31.1 22.3 71 77 A D - 0 0 1 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.096 33.1 -89.5 -90.9-166.8 0.9 30.5 23.4 72 78 A K S S+ 0 0 125 39,-0.6 40,-0.2 -71,-0.0 3,-0.1 0.517 103.6 47.6 -83.8 -9.0 -0.9 31.8 26.5 73 79 A G S S- 0 0 18 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.081 107.4 -10.0-107.2-144.6 0.1 28.8 28.8 74 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.295 50.5-159.7 -52.7 131.5 3.2 26.8 29.7 75 81 A R S S+ 0 0 120 -3,-0.1 8,-2.1 -5,-0.1 2,-0.3 0.478 73.4 42.6-100.2 -3.7 6.1 27.6 27.4 76 82 A T B S-F 82 0A 61 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.983 73.7-139.4-135.1 148.7 8.1 24.5 28.0 77 83 A D > - 0 0 27 4,-1.9 3,-2.0 -2,-0.3 -2,-0.1 -0.370 44.2 -83.4 -95.9-171.3 7.0 20.8 28.3 78 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.638 128.0 56.3 -71.3 -12.3 8.3 18.2 30.8 79 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.302 119.7-107.0 -97.0 5.4 11.3 17.4 28.5 80 86 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -53,-0.3 0.646 72.7 142.4 84.2 8.7 12.4 21.0 28.6 81 87 A R - 0 0 68 -55,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.639 55.0-112.4 -87.6 139.4 11.3 21.7 25.0 82 88 A G E -dF 28 76A 0 -55,-2.6 -53,-3.4 -2,-0.3 2,-0.6 -0.398 23.3-141.1 -67.2 146.6 9.8 25.0 24.0 83 89 A L E +d 29 0A 21 -8,-2.1 -12,-0.6 -55,-0.2 2,-0.3 -0.930 44.8 130.9-111.8 107.3 6.1 24.9 23.0 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.3 -2,-0.6 2,-0.5 -0.969 60.4-106.8-155.5 162.2 5.5 27.2 20.1 85 91 A Y E - 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