==== 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 10-MAY-00 1EZ8 . 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) . 7717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.7 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 . 31 23.0 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 . 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 . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 21.5 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 1 1 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 . 1 2 1 1 1 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 79 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 150.6 0.6 36.8 24.7 2 8 A H - 0 0 123 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.964 360.0-118.9-137.5 155.2 3.7 38.1 22.9 3 9 A K - 0 0 82 -2,-0.3 66,-0.2 66,-0.1 64,-0.0 -0.671 25.6-169.5 -87.8 145.9 6.4 36.8 20.6 4 10 A E E -A 68 0A 28 64,-2.2 64,-3.3 -2,-0.3 2,-0.0 -0.991 27.0-101.9-134.4 147.7 10.0 36.8 21.5 5 11 A P E +A 67 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.285 39.5 172.2 -69.5 143.4 13.1 36.1 19.4 6 12 A A E -A 66 0A 11 60,-2.3 60,-0.7 15,-0.1 2,-0.4 -0.961 23.4-133.6-144.0 162.3 15.0 32.9 19.4 7 13 A T E -B 20 0A 98 13,-1.8 13,-2.9 -2,-0.3 2,-0.1 -0.960 27.5-112.5-121.2 134.4 17.8 31.3 17.4 8 14 A L E +B 19 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.333 38.2 163.7 -64.4 137.3 17.8 27.8 16.1 9 15 A I E - 0 0 81 9,-2.1 2,-0.3 1,-0.2 10,-0.2 0.676 67.4 -25.2-109.8 -59.3 20.3 25.4 17.6 10 16 A K E -B 18 0A 128 8,-1.8 8,-3.3 0, 0.0 2,-0.4 -0.975 48.9-130.9-155.3 131.3 19.0 22.0 16.5 11 17 A A E -B 17 0A 15 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.739 26.5-178.1 -78.7 141.2 15.7 20.4 15.5 12 18 A I - 0 0 48 4,-2.5 2,-0.3 1,-0.4 5,-0.2 0.701 55.8 -27.2-111.7 -27.5 15.3 17.2 17.5 13 19 A D S S- 0 0 3 3,-1.8 3,-0.5 40,-0.1 -1,-0.4 -0.935 78.1 -74.7-173.4 178.9 12.1 15.6 16.4 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.850 132.4 30.3 -61.9 -33.6 8.7 16.6 14.9 15 21 A D S S+ 0 0 4 20,-0.1 15,-2.6 21,-0.1 2,-0.4 0.311 116.0 64.1-109.8 3.7 7.5 18.0 18.3 16 22 A T E + C 0 29A 11 -3,-0.5 -4,-2.5 13,-0.2 -3,-1.8 -0.984 49.1 170.1-141.5 130.5 10.8 19.2 19.8 17 23 A V E -BC 11 28A 2 11,-2.1 11,-3.1 -2,-0.4 2,-0.5 -0.993 26.6-134.8-138.6 144.6 13.4 21.8 18.8 18 24 A K E +BC 10 27A 82 -8,-3.3 -9,-2.1 -2,-0.3 -8,-1.8 -0.880 34.1 175.0-102.1 125.3 16.4 23.1 20.7 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.9 -2,-0.5 2,-0.7 -0.860 38.4-117.0-129.0 160.4 16.7 26.9 20.6 20 26 A M E +BC 7 25A 77 -13,-2.9 -13,-1.8 -2,-0.3 2,-0.4 -0.917 40.9 177.1 -93.8 112.6 18.8 29.7 22.1 21 27 A Y E > - C 0 24A 19 3,-2.1 3,-2.0 -2,-0.7 -15,-0.1 -0.989 67.6 -14.5-121.5 126.7 16.4 31.7 24.1 22 28 A K T 3 S- 0 0 164 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.878 129.1 -55.8 44.7 45.7 17.6 34.8 26.2 23 29 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.508 118.3 100.1 70.6 10.0 21.2 33.5 25.6 24 30 A Q E < S-C 21 0A 116 -3,-2.0 -3,-2.1 -5,-0.0 -1,-0.1 -0.990 75.3-117.2-122.7 132.5 20.7 30.0 27.1 25 31 A P E +C 20 0A 59 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.420 43.7 173.9 -63.2 139.3 20.3 26.8 25.0 26 32 A M E -C 19 0A 39 -7,-2.9 -7,-2.6 -2,-0.1 2,-0.5 -1.000 32.6-124.6-145.5 146.0 16.9 25.3 25.9 27 33 A V E -C 18 0A 44 -2,-0.3 55,-2.4 53,-0.3 2,-0.4 -0.803 28.7-158.8 -90.0 134.1 14.7 22.4 24.6 28 34 A F E -Cd 17 82A 0 -11,-3.1 -11,-2.1 -2,-0.5 2,-0.5 -0.934 8.0-154.9-117.8 133.3 11.2 23.4 23.5 29 35 A R E -Cd 16 83A 33 53,-3.2 55,-1.7 -2,-0.4 2,-0.4 -0.881 31.0-114.0-100.0 131.9 8.2 21.2 23.2 30 36 A L E > - d 0 84A 1 -15,-2.6 3,-1.0 -2,-0.5 55,-0.2 -0.551 36.3-120.7 -69.8 121.6 5.6 22.4 20.7 31 37 A L T 3 S+ 0 0 11 53,-2.9 55,-0.1 -2,-0.4 -1,-0.1 -0.351 82.1 3.2 -62.2 141.3 2.4 23.3 22.7 32 38 A L T 3 S+ 0 0 13 75,-0.2 74,-2.6 1,-0.1 2,-0.4 0.396 104.2 101.7 73.1 6.9 -0.9 21.5 21.9 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.943 49.6-161.0-125.8 150.2 0.3 19.0 19.3 34 40 A D E -H 104 0B 79 70,-2.6 70,-2.4 -2,-0.4 3,-0.0 -0.976 16.1-174.2-118.0 112.6 1.2 15.3 19.1 35 41 A T - 0 0 6 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.718 38.2 -98.9 -98.3 155.7 3.4 14.2 16.2 36 42 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -22,-0.3 -0.445 54.6-129.6 -61.3 151.0 4.3 10.6 15.5 37 43 A E - 0 0 37 1,-0.1 9,-0.8 2,-0.1 12,-0.2 -0.780 30.7-163.2-116.6 157.4 7.8 10.3 16.9 38 44 A T S S+ 0 0 34 -2,-0.3 -1,-0.1 11,-0.3 -25,-0.1 0.623 77.9 72.6 -97.7 -17.5 11.2 9.1 15.8 39 45 A K + 0 0 87 10,-0.1 5,-0.3 6,-0.0 7,-0.2 0.196 69.8 44.2 -79.4-163.3 12.4 8.9 19.4 40 46 A H S > S- 0 0 123 3,-0.1 4,-1.0 2,-0.1 3,-0.4 0.829 76.7-107.4 32.2 123.4 11.9 6.7 22.4 41 47 A P T 4 S+ 0 0 120 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.332 89.8 78.9 -64.3 166.0 11.8 2.9 22.1 42 48 A K T 4 S+ 0 0 201 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.826 119.0 8.6 128.9 -78.0 8.3 1.3 22.4 43 49 A K T 4 S- 0 0 122 -3,-0.4 2,-0.7 -2,-0.2 -3,-0.1 0.744 96.9-162.9 -96.6 -30.4 6.8 2.0 19.0 44 50 A G < + 0 0 26 -4,-1.0 2,-0.5 -5,-0.3 -1,-0.2 -0.758 65.1 7.1 92.1-105.8 10.2 3.2 17.7 45 51 A V S S- 0 0 91 -2,-0.7 -7,-0.2 -9,-0.0 3,-0.2 -0.588 86.7-153.6-109.1 67.1 10.0 5.3 14.5 46 52 A E > - 0 0 56 -9,-0.8 3,-2.0 -2,-0.5 2,-0.2 0.124 33.5 -80.1 -40.5 150.4 6.2 5.5 14.3 47 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.2 2,-0.2 -10,-0.0 -0.433 121.2 16.4 -65.0 128.2 4.7 6.0 10.8 48 54 A Y T 3> S+ 0 0 41 -2,-0.2 4,-2.4 -3,-0.2 -1,-0.3 0.270 96.6 112.8 83.5 -3.3 4.9 9.6 9.6 49 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.2 -12,-0.2 -11,-0.3 0.952 77.4 44.2 -56.3 -56.6 7.5 10.1 12.4 50 56 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.928 116.9 48.6 -58.3 -40.5 10.3 10.6 9.9 51 57 A E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.833 110.5 47.4 -67.5 -35.6 8.1 12.9 7.8 52 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.886 114.2 50.8 -71.0 -38.6 6.8 15.0 10.8 53 59 A S H X S+ 0 0 28 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.881 109.2 48.0 -63.7 -46.7 10.4 15.3 11.8 54 60 A A H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.875 110.0 54.5 -64.3 -38.8 11.7 16.4 8.4 55 61 A F H X S+ 0 0 60 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.963 110.3 44.1 -59.5 -52.7 8.8 19.0 8.1 56 62 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.955 114.1 52.0 -58.5 -43.7 9.7 20.7 11.4 57 63 A K H X S+ 0 0 79 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.959 112.1 42.6 -62.0 -48.1 13.4 20.7 10.6 58 64 A K H X S+ 0 0 83 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.959 113.2 54.7 -65.0 -44.2 13.1 22.3 7.1 59 65 A M H < S+ 0 0 38 -4,-2.5 4,-0.3 -5,-0.3 -2,-0.2 0.948 117.0 33.9 -55.4 -51.0 10.6 24.8 8.4 60 66 A V H >< S+ 0 0 4 -4,-2.8 3,-1.0 -5,-0.2 -1,-0.2 0.889 117.2 54.5 -76.2 -30.0 12.8 26.0 11.2 61 67 A E H 3< S+ 0 0 89 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.783 110.4 46.2 -72.4 -25.9 16.1 25.6 9.3 62 68 A N T 3< S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.361 90.9 111.1 -94.6 3.6 15.0 27.7 6.4 63 69 A A < - 0 0 25 -3,-1.0 3,-0.1 -4,-0.3 -3,-0.0 -0.445 54.3-157.1 -83.9 149.1 13.6 30.6 8.4 64 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.823 87.0 27.7 -83.3 -37.0 15.0 34.0 8.6 65 71 A K - 0 0 137 -58,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.994 63.7-169.2-130.4 126.2 13.3 34.7 11.9 66 72 A I E -AE 6 88A 16 -60,-0.7 -60,-2.3 -2,-0.4 2,-0.4 -0.929 13.1-179.4-110.4 133.6 12.2 32.2 14.7 67 73 A E E -AE 5 87A 52 20,-2.5 20,-2.9 -2,-0.4 2,-0.4 -0.976 15.8-146.2-128.9 150.2 10.0 33.5 17.5 68 74 A V E -AE 4 86A 0 -64,-3.3 -64,-2.2 -2,-0.4 2,-0.4 -0.899 7.1-164.9-112.6 148.8 8.6 31.7 20.6 69 75 A E E - E 0 85A 15 16,-2.0 16,-2.8 -2,-0.4 -66,-0.1 -0.939 8.2-155.2-131.3 105.5 5.3 32.5 22.1 70 76 A F E - E 0 84A 17 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.454 16.9-131.7 -72.9 152.0 4.6 31.2 25.7 71 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.151 32.7 -89.6 -90.9-166.1 0.9 30.6 26.6 72 78 A K S S+ 0 0 141 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.584 102.8 56.3 -85.0 -13.1 -0.8 31.9 29.9 73 79 A G S S- 0 0 17 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.130 107.2 -20.5 -99.9-147.0 -0.0 28.8 32.1 74 80 A Q - 0 0 116 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.301 49.1-156.0 -60.8 145.5 3.1 27.0 33.1 75 81 A R S S+ 0 0 121 -3,-0.1 8,-2.1 -5,-0.1 2,-0.3 0.499 72.9 50.1-104.8 -3.0 6.1 27.6 30.8 76 82 A T B -F 82 0A 77 6,-0.2 6,-0.2 -48,-0.1 2,-0.1 -0.971 69.8-142.4-129.7 147.0 8.0 24.4 31.5 77 83 A D > - 0 0 33 4,-1.9 3,-2.2 -2,-0.3 -2,-0.0 -0.431 44.4 -86.9 -97.1-176.5 7.1 20.8 31.6 78 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.665 126.9 56.8 -67.5 -13.3 8.3 18.2 34.1 79 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.358 120.3-105.3 -98.6 7.7 11.4 17.5 31.9 80 86 A G S < S+ 0 0 45 -3,-2.2 2,-0.4 1,-0.3 -53,-0.3 0.597 72.8 144.2 85.1 8.9 12.5 21.1 31.9 81 87 A R - 0 0 59 -55,-0.1 -4,-1.9 -53,-0.1 -1,-0.3 -0.664 54.0-115.1 -85.4 138.2 11.3 21.8 28.3 82 88 A G E -dF 28 76A 0 -55,-2.4 -53,-3.2 -2,-0.4 2,-0.6 -0.361 23.3-142.4 -60.1 144.1 9.8 25.1 27.4 83 89 A L E +d 29 0A 26 -8,-2.1 -12,-0.6 -55,-0.2 2,-0.3 -0.932 44.2 133.9-113.0 109.4 6.2 24.9 26.4 84 90 A A E -dE 30 70A 0 -55,-1.7 -53,-2.9 -2,-0.6 2,-0.5 -0.951 60.7-107.0-151.5 167.8 5.5 27.3 23.5 85 91 A Y E - E 0 69A 0 -16,-2.8 -16,-2.0 -2,-0.3 2,-0.5 -0.866 42.8-147.9 -92.2 129.0 4.0 28.1 20.1 86 92 A I E - E 0 68A 1 -2,-0.5 7,-2.5 -18,-0.2 8,-0.7 -0.914 11.0-161.8-109.2 135.6 6.9 28.3 17.7 87 93 A Y E -GE 92 67A 18 -20,-2.9 -20,-2.5 -2,-0.5 2,-0.5 -0.939 9.0-165.4-118.6 132.8 6.9 30.7 14.7 88 94 A A E > S-GE 91 66A 5 3,-3.0 3,-2.1 -2,-0.4 -22,-0.2 -0.982 81.8 -27.0-118.4 116.9 9.1 30.6 11.6 89 95 A D T 3 S- 0 0 55 -24,-3.1 -1,-0.2 -2,-0.5 -23,-0.1 0.905 129.3 -44.9 39.6 55.5 8.9 33.8 9.6 90 96 A G T 3 S+ 0 0 51 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.317 116.3 112.5 86.6 -15.6 5.4 34.6 10.9 91 97 A K E < -G 88 0A 128 -3,-2.1 -3,-3.0 4,-0.0 2,-0.6 -0.859 68.7-125.5-103.4 129.3 4.0 31.1 10.4 92 98 A M E > -G 87 0A 18 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.569 13.6-158.8 -75.0 115.9 3.1 28.9 13.4 93 99 A V H > S+ 0 0 2 -7,-2.5 4,-2.3 -2,-0.6 5,-0.2 0.880 90.8 58.9 -57.5 -38.3 5.0 25.6 13.1 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.931 110.4 41.7 -62.4 -41.8 2.5 24.0 15.5 95 101 A E H > S+ 0 0 43 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.903 109.7 57.2 -69.5 -43.7 -0.4 24.8 13.1 96 102 A A H X S+ 0 0 17 -4,-2.3 4,-2.0 1,-0.2 6,-0.2 0.926 106.4 50.6 -53.9 -43.2 1.4 24.0 9.9 97 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 6,-0.6 0.915 114.6 43.1 -61.6 -42.1 2.0 20.4 11.2 98 104 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.5 -5,-0.2 -2,-0.2 0.915 110.7 54.4 -70.7 -42.8 -1.6 20.0 12.1 99 105 A R H 3<5S+ 0 0 75 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.4 50.8 -56.1 -34.9 -2.8 21.6 8.8 100 106 A Q T 3<5S- 0 0 78 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.360 115.9-112.0 -85.8 -0.7 -0.6 19.0 6.9 101 107 A G T < 5S+ 0 0 0 -3,-1.5 32,-2.4 2,-0.2 -3,-0.2 0.801 87.5 116.9 74.7 22.7 -1.9 16.0 8.7 102 108 A L S - 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