==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-09 3HEJ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,A.HEROUX,E.B.GARCIA-MORENO . 540 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 20.4 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 8 8 2 2 4 4 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 . 4 0 0 0 0 0 4 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 1 A A 0 0 158 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.9 25.9 -28.2 46.9 2 2 A T + 0 0 132 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.644 360.0 115.3-130.3 -36.2 28.9 -27.7 49.2 3 3 A S > - 0 0 48 1,-0.2 3,-0.5 2,-0.1 4,-0.0 -0.195 45.3-160.0 -42.0 131.3 31.6 -30.3 48.7 4 4 A T T 3 S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 0.347 83.2 73.9 -91.7 -1.0 34.8 -28.8 47.4 5 5 A K T 3 S+ 0 0 168 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.387 96.9 44.5 -90.1 -7.1 35.9 -32.2 46.2 6 6 A K S < S- 0 0 137 -3,-0.5 2,-0.2 1,-0.3 -2,-0.1 0.248 108.1 -29.2-108.7-123.4 33.6 -32.4 43.2 7 7 A L - 0 0 28 -4,-0.0 2,-0.4 198,-0.0 -1,-0.3 -0.676 48.3-147.4-100.5 160.9 32.7 -29.8 40.6 8 8 A H - 0 0 96 198,-0.4 198,-0.5 -2,-0.2 2,-0.4 -0.980 6.4-142.7-128.4 131.4 32.6 -25.9 40.8 9 9 A K E -A 205 0A 98 -2,-0.4 196,-0.2 196,-0.2 213,-0.1 -0.759 20.0-169.2 -87.1 135.4 30.4 -23.4 39.0 10 10 A E E -A 204 0A 47 194,-2.8 194,-2.7 -2,-0.4 2,-0.0 -0.868 25.5-102.2-119.7 153.4 31.9 -20.1 37.9 11 11 A P E +A 203 0A 103 0, 0.0 2,-0.3 0, 0.0 153,-0.2 -0.361 39.4 170.6 -72.8 153.1 30.3 -17.0 36.6 12 12 A A E -A 202 0A 9 190,-1.6 190,-0.7 151,-0.1 2,-0.3 -0.944 12.9-155.5-151.2 156.9 30.2 -16.1 32.9 13 13 A T B -B 162 0A 83 149,-2.6 149,-3.7 -2,-0.3 2,-0.1 -0.871 28.5 -87.4-131.2 168.2 28.3 -13.4 31.0 14 14 A L - 0 0 69 -2,-0.3 2,-0.2 147,-0.2 147,-0.2 -0.465 45.7-107.0 -67.1 151.6 27.1 -12.7 27.4 15 15 A I - 0 0 73 145,-0.4 3,-0.1 -2,-0.1 -1,-0.1 -0.583 49.9-100.4 -77.7 132.8 29.4 -11.1 24.9 16 16 A K - 0 0 107 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.339 43.6 -96.1 -63.5 144.6 28.1 -7.6 24.5 17 17 A A - 0 0 46 1,-0.1 27,-0.2 -3,-0.1 2,-0.2 -0.267 41.0-105.9 -63.1 147.0 26.1 -6.9 21.4 18 18 A I - 0 0 63 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.514 37.3-110.3 -71.1 141.6 27.8 -5.5 18.3 19 19 A D > - 0 0 48 -2,-0.2 3,-1.9 1,-0.1 24,-0.1 -0.331 29.1-105.6 -71.1 163.4 27.1 -1.8 17.5 20 20 A G T 3 S+ 0 0 0 22,-0.5 -1,-0.1 1,-0.3 23,-0.1 0.798 116.0 53.3 -65.1 -28.7 25.1 -0.8 14.5 21 21 A D T 3 S+ 0 0 6 21,-0.2 15,-2.7 20,-0.1 2,-0.4 0.331 93.0 80.5 -97.3 9.6 28.0 0.4 12.4 22 22 A T E < -H 35 0B 14 -3,-1.9 2,-0.4 13,-0.2 13,-0.2 -0.939 61.5-175.9-106.5 134.8 30.0 -2.8 12.7 23 23 A V E -H 34 0B 2 11,-2.4 11,-3.1 -2,-0.4 2,-0.5 -0.990 14.5-152.6-136.4 126.9 28.9 -5.6 10.4 24 24 A K E +H 33 0B 107 -2,-0.4 127,-0.4 9,-0.2 2,-0.3 -0.846 27.2 164.1-102.3 129.6 30.3 -9.2 10.2 25 25 A L E -H 32 0B 0 7,-2.5 7,-2.4 -2,-0.5 2,-0.6 -0.950 44.4-109.0-140.9 158.2 30.1 -10.9 6.9 26 26 A M E +HI 31 149B 45 123,-3.0 123,-2.4 -2,-0.3 2,-0.4 -0.878 46.6 175.7 -86.0 121.0 31.4 -13.9 4.9 27 27 A Y E > -H 30 0B 12 3,-3.0 3,-1.6 -2,-0.6 121,-0.1 -0.993 59.6 -16.3-140.7 121.7 33.7 -12.4 2.3 28 28 A K T 3 S- 0 0 151 119,-0.4 -1,-0.1 -2,-0.4 120,-0.1 0.878 130.4 -48.4 47.4 41.7 35.8 -14.2 -0.3 29 29 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.423 122.9 81.1 90.6 7.0 35.4 -17.4 1.7 30 30 A Q E < S-H 27 0B 133 -3,-1.6 -3,-3.0 -5,-0.0 -1,-0.1 -0.976 81.6-101.3-142.7 148.3 36.3 -16.1 5.2 31 31 A P E +H 26 0B 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.462 44.7 179.8 -65.6 140.3 34.5 -14.3 8.0 32 32 A M E -H 25 0B 40 -7,-2.4 -7,-2.5 -2,-0.1 2,-0.5 -0.988 25.4-135.9-145.0 138.6 35.4 -10.6 8.2 33 33 A T E -H 24 0B 43 -2,-0.3 49,-2.7 47,-0.2 2,-0.3 -0.829 24.5-164.0 -93.9 129.6 34.4 -7.8 10.4 34 34 A F E -Hj 23 82B 0 -11,-3.1 -11,-2.4 -2,-0.5 2,-0.5 -0.822 12.4-153.5-109.2 146.3 33.6 -4.5 8.6 35 35 A R E -Hj 22 83B 20 47,-3.1 49,-1.5 -2,-0.3 2,-0.2 -0.992 33.0-114.5-114.7 126.3 33.4 -1.0 10.1 36 36 A L E > - j 0 84B 1 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.429 30.9-121.3 -64.2 126.3 31.1 1.2 8.0 37 37 A L T 3 S+ 0 0 9 47,-2.2 49,-0.1 -2,-0.2 -1,-0.1 -0.337 84.8 7.3 -62.7 143.8 32.9 4.1 6.3 38 38 A L T 3 S+ 0 0 1 69,-0.5 68,-1.6 74,-0.2 2,-0.3 0.431 107.0 94.3 69.7 12.0 31.9 7.7 7.1 39 39 A V E < -O 105 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.892 48.6-163.7-134.9 162.5 29.4 7.0 9.9 40 40 A D E -O 104 0C 67 64,-2.1 64,-2.3 -2,-0.3 3,-0.1 -0.908 11.9-170.1-147.4 107.2 29.1 6.8 13.6 41 41 A T - 0 0 8 -2,-0.3 62,-0.2 62,-0.3 8,-0.1 -0.639 36.6 -95.8 -84.7 158.3 26.1 5.1 15.4 42 42 A P - 0 0 17 0, 0.0 -22,-0.5 0, 0.0 -21,-0.2 -0.359 51.1 -95.2 -60.7 154.3 25.5 5.4 19.1 43 43 A E > - 0 0 63 -24,-0.1 3,-2.5 1,-0.1 6,-0.3 -0.349 40.2-101.3 -70.1 156.4 26.9 2.4 21.0 44 50 A F T 3 S+ 0 0 59 1,-0.3 5,-0.2 -27,-0.2 7,-0.1 0.845 121.1 50.2 -54.6 -32.3 24.4 -0.3 21.8 45 51 A N T 3 S+ 0 0 117 4,-0.2 -1,-0.3 -28,-0.1 2,-0.2 0.452 98.4 79.5 -88.5 -1.9 23.9 0.8 25.3 46 52 A E S X S- 0 0 117 -3,-2.5 3,-2.4 1,-0.1 0, 0.0 -0.654 101.3 -68.5 -97.0 167.1 23.2 4.5 24.5 47 53 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.229 123.3 11.1 -57.0 135.3 20.0 6.0 23.3 48 54 A Y T 3> S+ 0 0 38 -4,-0.1 4,-2.0 -3,-0.1 -1,-0.3 0.433 96.9 113.1 72.1 -5.7 19.2 4.8 19.7 49 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.4 -6,-0.3 -29,-0.3 0.932 78.5 42.1 -51.5 -60.4 22.0 2.2 19.9 50 56 A P H > S+ 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.896 114.9 53.1 -60.7 -39.9 19.6 -0.8 19.8 51 57 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.878 108.9 48.2 -59.7 -45.0 17.6 0.9 17.1 52 58 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.928 114.1 46.8 -61.8 -45.1 20.7 1.5 15.0 53 59 A S H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.939 114.1 47.4 -63.4 -41.3 21.8 -2.2 15.5 54 60 A A H X S+ 0 0 57 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.891 110.8 52.2 -68.1 -38.2 18.2 -3.4 14.6 55 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.926 113.9 42.6 -62.5 -48.3 18.0 -1.2 11.6 56 62 A R H X S+ 0 0 22 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.906 114.0 51.1 -63.1 -44.8 21.3 -2.5 10.2 57 63 A K H X S+ 0 0 97 -4,-2.6 4,-3.3 -5,-0.2 5,-0.4 0.951 112.0 47.4 -62.4 -38.6 20.6 -6.1 11.1 58 64 A K H X S+ 0 0 143 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.935 114.4 46.0 -70.2 -44.2 17.2 -5.9 9.3 59 65 A M H < S+ 0 0 38 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.939 121.2 37.0 -62.5 -46.9 18.6 -4.3 6.2 60 66 A V H >< S+ 0 0 6 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.917 117.5 47.4 -76.7 -40.2 21.5 -6.7 5.9 61 67 A E H 3< S+ 0 0 81 -4,-3.3 -1,-0.2 -5,-0.3 -3,-0.2 0.702 114.3 46.3 -83.9 -14.6 19.9 -9.9 7.1 62 68 A N T 3< S+ 0 0 102 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.428 87.5 116.3 -97.1 -7.0 16.8 -9.6 4.9 63 69 A A < - 0 0 19 -3,-0.8 3,-0.2 -4,-0.3 -3,-0.0 -0.428 56.8-152.5 -64.5 140.8 18.8 -8.6 1.7 64 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.850 90.4 24.1 -71.2 -35.3 18.7 -10.9 -1.3 65 71 A K S S- 0 0 155 84,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.990 70.0-165.3-139.3 118.5 22.2 -9.6 -2.3 66 72 A I E -KL 88 148B 15 82,-0.8 82,-1.9 -2,-0.4 2,-0.4 -0.886 12.1-174.4-103.0 134.0 24.8 -8.1 0.0 67 73 A E E -KL 87 147B 56 20,-2.3 20,-3.1 -2,-0.4 2,-0.3 -0.980 12.7-153.9-126.7 150.4 27.8 -6.2 -1.5 68 74 A V E -KL 86 146B 0 78,-2.6 78,-2.6 -2,-0.4 2,-0.4 -0.911 8.3-170.9-117.7 147.4 30.9 -4.6 0.0 69 75 A E E -K 85 0B 14 16,-1.9 16,-3.0 -2,-0.3 2,-0.2 -0.924 8.0-155.1-143.5 108.2 32.8 -1.7 -1.5 70 76 A F E -K 84 0B 17 74,-0.5 74,-0.4 -2,-0.4 14,-0.2 -0.535 17.4-130.1 -76.5 154.6 36.2 -0.5 -0.3 71 77 A D - 0 0 14 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.166 31.2 -94.4 -90.6-167.4 37.3 3.1 -0.9 72 78 A K S S+ 0 0 136 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.690 102.3 48.7 -90.2 -17.7 40.7 4.1 -2.3 73 79 A G S S+ 0 0 39 38,-1.0 39,-0.1 1,-0.3 38,-0.1 0.326 107.0 5.6 -96.1-137.2 42.6 4.7 0.9 74 80 A Q - 0 0 119 1,-0.1 -3,-0.3 -4,-0.0 -1,-0.3 -0.214 52.3-165.1 -52.6 128.7 43.0 2.5 4.0 75 81 A R S S+ 0 0 112 1,-0.2 8,-2.6 -3,-0.1 2,-0.3 0.771 73.7 23.9 -89.2 -29.5 41.4 -0.9 3.6 76 82 A T B S-M 82 0B 61 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.972 75.9-130.9-134.9 150.1 41.4 -1.8 7.3 77 83 A D > - 0 0 22 4,-2.4 3,-1.8 -2,-0.3 -2,-0.0 -0.231 43.2 -86.4 -88.1-175.9 41.5 0.2 10.5 78 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.592 128.4 58.4 -68.5 -11.1 43.9 -0.2 13.4 79 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.329 120.3-108.2 -98.0 5.8 41.4 -2.7 14.9 80 86 A G S < S+ 0 0 54 -3,-1.8 2,-0.3 1,-0.3 -47,-0.2 0.526 72.0 143.5 80.7 10.0 41.7 -4.9 11.8 81 87 A R - 0 0 62 -49,-0.1 -4,-2.4 1,-0.1 2,-0.4 -0.592 55.1-116.7 -84.6 139.8 38.2 -4.0 10.6 82 88 A G E -jM 34 76B 0 -49,-2.7 -47,-3.1 -2,-0.3 2,-0.7 -0.608 23.0-139.1 -72.8 130.6 37.5 -3.6 6.9 83 89 A L E +j 35 0B 19 -8,-2.6 -12,-0.6 -2,-0.4 2,-0.3 -0.788 46.2 141.0 -97.1 111.2 36.5 -0.1 6.1 84 90 A A E -jK 36 70B 0 -49,-1.5 -47,-2.2 -2,-0.7 2,-0.5 -0.980 57.3-115.3-145.1 161.0 33.7 -0.3 3.5 85 91 A Y E - K 0 69B 0 -16,-3.0 -16,-1.9 -2,-0.3 2,-0.4 -0.858 38.9-151.4 -93.7 131.2 30.4 0.8 2.1 86 92 A I E - K 0 68B 0 -2,-0.5 7,-3.6 -18,-0.2 8,-0.6 -0.935 8.2-160.5-111.6 132.9 27.9 -2.0 2.5 87 93 A Y E -NK 92 67B 15 -20,-3.1 -20,-2.3 -2,-0.4 2,-0.5 -0.905 10.7-165.0-118.6 138.9 24.9 -2.5 0.2 88 94 A A E > S-NK 91 66B 7 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.966 84.9 -25.5-120.3 109.5 21.7 -4.4 0.7 89 95 A D T 3 S- 0 0 78 -24,-3.0 -23,-0.1 -2,-0.5 -1,-0.1 0.888 128.7 -49.0 50.1 41.0 19.9 -5.0 -2.6 90 96 A G T 3 S+ 0 0 40 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.397 115.4 114.3 86.9 -5.7 21.6 -1.9 -4.0 91 97 A K E < -N 88 0B 140 -3,-1.9 -3,-2.9 -32,-0.1 2,-0.4 -0.878 69.0-122.9 -97.8 133.2 20.8 0.4 -1.1 92 98 A M E > -N 87 0B 8 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.578 11.2-155.3 -80.4 127.4 23.8 1.6 0.9 93 99 A V H > S+ 0 0 0 -7,-3.6 4,-2.8 -2,-0.4 5,-0.2 0.901 95.1 55.3 -66.9 -41.5 23.6 0.7 4.6 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.942 111.9 42.8 -52.2 -53.2 25.9 3.6 5.5 95 101 A E H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.910 113.0 53.1 -61.9 -44.3 23.6 6.1 3.8 96 102 A A H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.916 105.6 52.2 -62.3 -44.3 20.5 4.5 5.2 97 103 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 6,-0.6 0.912 114.4 43.6 -56.2 -44.3 21.6 4.7 8.8 98 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.2 1,-0.2 5,-0.2 0.936 109.4 56.4 -69.3 -45.6 22.4 8.4 8.4 99 105 A R H 3<5S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.770 108.2 48.9 -55.7 -33.5 19.2 9.1 6.5 100 106 A Q T 3<5S- 0 0 64 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.296 117.1-112.2 -91.6 10.7 17.1 7.7 9.4 101 107 A G T < 5S+ 0 0 0 -3,-2.2 32,-2.4 2,-0.2 -3,-0.2 0.777 86.8 118.3 63.8 31.8 19.0 9.7 12.0 102 108 A L S - 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