==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-OCT-11 2LKV . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.MATZAPETAKIS,T.M.PAIS,P.LAMOSA,D.L.TURNER,H.SANTOS . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 3.4 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 . 1 0.7 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 . 18 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 3 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 1 A A 0 0 143 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.0 -14.4 17.1 9.2 2 2 A T + 0 0 152 4,-0.0 2,-0.3 2,-0.0 3,-0.1 -0.648 360.0 151.5 -77.5 124.7 -13.8 19.1 6.1 3 3 A S - 0 0 64 -2,-0.4 3,-0.0 1,-0.1 0, 0.0 -0.994 59.0-125.0-155.0 156.4 -10.8 17.7 4.3 4 4 A T S S+ 0 0 106 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.762 103.6 77.2 -69.9 -25.2 -9.1 17.2 0.9 5 5 A K + 0 0 124 1,-0.1 2,-1.0 115,-0.1 -1,-0.2 -0.609 55.9 155.6 -89.6 72.1 -9.2 13.6 1.8 6 6 A K + 0 0 164 -2,-1.7 2,-0.2 2,-0.0 -1,-0.1 -0.755 29.3 129.3-100.5 76.8 -12.8 12.9 1.1 7 7 A L - 0 0 31 -2,-1.0 2,-0.4 71,-0.0 70,-0.1 -0.539 53.1-109.7-120.1-171.9 -12.4 9.2 0.5 8 8 A H E -A 76 0A 82 68,-0.8 68,-1.1 -2,-0.2 2,-0.3 -0.976 12.6-137.4-138.6 125.4 -14.1 6.1 1.8 9 9 A K E +A 75 0A 76 -2,-0.4 66,-0.3 66,-0.2 83,-0.1 -0.572 28.2 178.4 -75.2 140.2 -13.0 3.3 4.0 10 10 A E E -A 74 0A 57 64,-3.0 64,-3.0 -2,-0.3 2,-0.2 -0.937 28.0-103.7-143.6 152.5 -14.0 -0.1 2.9 11 11 A P E +A 73 0A 84 0, 0.0 17,-0.6 0, 0.0 2,-0.3 -0.590 34.6 174.5 -89.8 144.9 -13.3 -3.6 4.4 12 12 A A E -AB 72 27A 3 60,-3.2 60,-1.5 -2,-0.2 2,-0.4 -0.986 16.1-152.4-143.0 145.4 -10.8 -6.1 3.1 13 13 A T E - B 0 26A 82 13,-1.8 13,-3.3 -2,-0.3 2,-0.2 -0.982 32.5-103.1-121.5 138.5 -9.7 -9.4 4.4 14 14 A L E + B 0 25A 40 -2,-0.4 11,-0.2 52,-0.4 3,-0.1 -0.388 48.3 154.4 -65.6 126.0 -6.3 -10.9 3.7 15 15 A I E - 0 0 73 9,-2.5 2,-0.3 -2,-0.2 10,-0.2 0.690 69.0 -18.9-110.6 -53.9 -6.2 -13.5 1.1 16 16 A K E - B 0 24A 128 8,-2.9 8,-3.8 50,-0.0 2,-0.5 -0.859 51.3-134.3-164.8 118.4 -2.7 -13.4 -0.3 17 17 A A E + B 0 23A 9 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.645 26.1 179.8 -72.8 121.4 0.1 -10.9 -0.3 18 18 A I - 0 0 70 4,-2.1 5,-0.2 -2,-0.5 2,-0.2 0.896 58.6 -16.2 -93.6 -47.9 1.4 -10.9 -3.9 19 19 A D S S- 0 0 67 3,-3.1 -1,-0.2 40,-0.1 44,-0.1 -0.673 81.0 -81.1-138.4-170.8 4.2 -8.3 -3.8 20 20 A G S S+ 0 0 3 -2,-0.2 83,-0.1 22,-0.2 3,-0.1 0.713 134.6 21.2 -70.3 -22.1 5.4 -5.6 -1.6 21 21 A D S S+ 0 0 8 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.244 115.3 73.8-131.3 17.1 2.8 -3.4 -3.1 22 22 A T E + C 0 35A 3 13,-0.2 -3,-3.1 2,-0.0 -4,-2.1 -0.993 54.5 167.5-134.9 125.3 0.3 -5.9 -4.5 23 23 A V E -BC 17 34A 0 11,-2.6 11,-3.8 -2,-0.4 2,-0.7 -0.978 32.0-133.6-144.2 130.4 -2.1 -7.9 -2.2 24 24 A K E +BC 16 33A 62 -8,-3.8 -8,-2.9 -2,-0.4 -9,-2.5 -0.740 37.8 169.5 -84.4 116.6 -5.1 -10.1 -2.8 25 25 A L E -BC 14 32A 0 7,-3.1 7,-3.1 -2,-0.7 2,-0.6 -0.855 38.9-110.1-121.6 156.4 -7.6 -9.1 -0.3 26 26 A M E +BC 13 31A 60 -13,-3.3 -13,-1.8 -2,-0.3 2,-0.5 -0.836 40.3 178.3 -85.4 120.9 -11.3 -9.9 0.0 27 27 A Y E > -BC 12 30A 56 3,-3.5 3,-2.3 -2,-0.6 -15,-0.2 -0.999 65.9 -9.6-134.1 119.6 -13.3 -7.0 -0.7 28 28 A K T 3 S- 0 0 173 -17,-0.6 -1,-0.1 -2,-0.5 -16,-0.1 0.694 131.4 -54.3 69.0 23.8 -17.0 -6.9 -0.7 29 29 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -16,-0.0 -3,-0.1 0.448 123.1 96.6 90.9 2.7 -16.9 -10.7 -0.4 30 30 A Q E < S-C 27 0A 141 -3,-2.3 -3,-3.5 -5,-0.0 -1,-0.3 -0.955 76.3-111.6-128.9 143.3 -14.7 -11.1 -3.4 31 31 A P E +C 26 0A 74 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.525 40.0 171.3 -70.4 133.7 -10.9 -11.6 -3.9 32 32 A M E -C 25 0A 52 -7,-3.1 -7,-3.1 -2,-0.3 2,-1.1 -0.997 36.9-122.1-145.7 141.3 -9.1 -8.7 -5.5 33 33 A T E -C 24 0A 12 -2,-0.4 55,-2.7 -9,-0.3 -9,-0.3 -0.765 37.9-156.8 -86.8 100.8 -5.6 -8.0 -6.0 34 34 A F E -Cd 23 88A 2 -11,-3.8 -11,-2.6 -2,-1.1 2,-0.4 -0.356 5.9-143.7 -79.6 162.8 -5.0 -4.7 -4.4 35 35 A R E -Cd 22 89A 26 53,-3.3 55,-1.7 -13,-0.2 2,-0.7 -0.991 21.1-117.8-131.0 129.3 -2.3 -2.2 -5.1 36 36 A L E > - d 0 90A 0 -15,-2.7 3,-1.5 -2,-0.4 55,-0.2 -0.606 36.5-123.7 -75.5 110.8 -0.7 -0.1 -2.5 37 37 A L T 3 S+ 0 0 0 53,-2.1 55,-0.2 -2,-0.7 3,-0.1 -0.315 86.6 3.1 -50.4 135.1 -1.4 3.5 -3.4 38 38 A L T 3 S+ 0 0 0 1,-0.2 74,-3.0 80,-0.2 2,-0.3 0.512 102.6 128.9 65.0 19.4 1.5 5.8 -3.8 39 39 A V E < -H 111 0B 0 -3,-1.5 2,-0.5 72,-0.3 -1,-0.2 -0.752 40.0-172.5-115.6 138.6 4.0 3.0 -3.3 40 40 A D E +H 110 0B 62 70,-2.2 70,-2.0 -2,-0.3 -3,-0.0 -0.894 16.1 179.2-126.7 97.0 6.9 1.7 -5.2 41 41 A T - 0 0 16 -2,-0.5 2,-0.2 68,-0.3 68,-0.2 -0.760 27.5-116.0 -96.0 150.6 8.3 -1.5 -3.9 42 42 A P - 0 0 9 0, 0.0 -22,-0.2 0, 0.0 16,-0.2 -0.576 21.2-137.3 -85.1 144.8 11.3 -3.2 -5.4 43 43 A E - 0 0 118 -2,-0.2 2,-1.8 1,-0.1 12,-0.3 -0.135 52.0 -65.4 -77.4-171.1 11.1 -6.7 -6.9 44 44 A T S S+ 0 0 97 10,-0.2 9,-0.2 9,-0.1 -1,-0.1 -0.637 82.3 150.0 -85.6 82.0 13.6 -9.3 -6.4 45 45 A K - 0 0 81 -2,-1.8 8,-0.3 1,-0.3 7,-0.2 0.266 47.3 -12.1 -87.9-143.6 16.4 -7.5 -8.2 46 46 A H B -i 52 0C 128 5,-0.7 7,-1.7 6,-0.2 -1,-0.3 -0.291 46.0-149.0 -66.7 140.5 20.2 -7.5 -7.6 47 47 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.026 86.4 43.9 -96.7 29.5 21.7 -9.2 -4.4 48 48 A K S S- 0 0 165 1,-0.2 2,-0.4 3,-0.1 4,-0.1 0.438 109.5 -4.1-129.8 -84.3 24.7 -6.8 -4.4 49 49 A K S S+ 0 0 162 2,-0.1 2,-0.5 93,-0.1 -1,-0.2 -0.971 99.2 13.0-132.6 131.7 24.5 -3.1 -4.9 50 50 A G S S+ 0 0 16 -2,-0.4 2,-1.6 89,-0.1 94,-0.4 -0.927 118.6 9.1 121.9-127.6 21.9 -0.7 -5.8 51 51 A V S S- 0 0 51 -2,-0.5 -5,-0.7 93,-0.1 -2,-0.1 -0.739 87.8-159.6 -90.3 83.6 18.3 -1.4 -5.8 52 52 A E B -i 46 0C 19 -2,-1.6 2,-2.6 -7,-0.2 -6,-0.2 -0.125 34.8 -85.5 -59.3 163.3 18.6 -4.8 -4.1 53 53 A K + 0 0 64 -7,-1.7 2,-1.0 -8,-0.3 4,-0.3 -0.179 65.1 152.5 -64.5 48.6 16.1 -7.6 -4.1 54 54 A Y > + 0 0 34 -2,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.097 39.2 108.9 -75.1 34.6 14.2 -6.0 -1.1 55 55 A G H > S+ 0 0 9 -2,-1.0 4,-3.6 -12,-0.3 5,-0.3 0.941 73.1 44.6 -79.7 -53.0 11.2 -7.8 -2.5 56 56 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 115.0 51.5 -61.5 -36.0 10.7 -10.5 0.1 57 57 A E H > S+ 0 0 76 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.975 116.6 39.1 -62.0 -52.9 11.3 -7.9 2.8 58 58 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 3,-0.4 0.961 118.1 48.0 -61.0 -52.2 8.7 -5.6 1.3 59 59 A S H X S+ 0 0 24 -4,-3.6 4,-3.1 1,-0.3 -1,-0.2 0.868 114.2 46.7 -60.9 -37.1 6.3 -8.4 0.4 60 60 A A H X S+ 0 0 42 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.3 0.737 111.2 51.3 -81.1 -23.3 6.6 -9.9 3.9 61 61 A F H X S+ 0 0 56 -4,-1.9 4,-3.0 -3,-0.4 -2,-0.2 0.926 115.0 42.0 -72.7 -47.0 6.2 -6.6 5.6 62 62 A T H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.970 118.2 47.9 -58.0 -47.8 3.0 -6.0 3.6 63 63 A K H X S+ 0 0 89 -4,-3.1 4,-3.0 -5,-0.3 5,-0.3 0.867 109.2 54.9 -59.6 -40.7 2.2 -9.6 4.2 64 64 A K H X S+ 0 0 103 -4,-2.1 4,-2.9 2,-0.2 3,-0.4 0.992 111.4 42.3 -55.2 -65.9 3.0 -9.1 7.8 65 65 A M H X S+ 0 0 14 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.862 119.3 44.4 -52.7 -40.1 0.6 -6.2 8.2 66 66 A V H < S+ 0 0 0 -4,-3.2 -52,-0.4 1,-0.2 -1,-0.3 0.858 117.9 41.5 -80.9 -30.8 -2.1 -7.8 6.1 67 67 A E H < S+ 0 0 100 -4,-3.0 -1,-0.2 -3,-0.4 -2,-0.2 0.778 117.7 49.7 -81.4 -27.5 -1.9 -11.3 7.7 68 68 A N H < S+ 0 0 74 -4,-2.9 2,-0.3 -5,-0.3 -2,-0.2 0.754 95.6 87.6 -81.4 -29.5 -1.5 -9.7 11.1 69 69 A A < - 0 0 8 -4,-1.9 -55,-0.3 -5,-0.4 3,-0.2 -0.542 54.3-170.8 -73.3 135.5 -4.4 -7.6 10.6 70 70 A K S S+ 0 0 162 -2,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.561 86.7 42.1 -93.3 -17.0 -7.7 -9.0 11.5 71 71 A K + 0 0 110 -58,-0.1 24,-3.8 -3,-0.0 2,-0.5 -0.984 67.8 179.5-135.0 114.5 -9.1 -6.0 9.8 72 72 A I E -AE 12 94A 4 -60,-1.5 -60,-3.2 -2,-0.5 2,-0.4 -0.960 9.8-177.2-110.9 136.4 -7.8 -4.7 6.7 73 73 A E E -AE 11 93A 75 20,-2.9 20,-3.5 -2,-0.5 2,-0.3 -0.925 7.7-161.0-129.2 161.5 -9.5 -1.7 5.3 74 74 A V E -AE 10 92A 0 -64,-3.0 -64,-3.0 -2,-0.4 2,-0.3 -0.830 8.0-154.1-133.5 167.0 -9.0 0.2 2.2 75 75 A E E -AE 9 91A 20 16,-2.3 16,-3.5 -2,-0.3 -66,-0.2 -0.863 18.4-139.4-147.5 106.0 -9.9 3.5 1.0 76 76 A F E -A 8 0A 9 -68,-1.1 -68,-0.8 -2,-0.3 14,-0.2 -0.518 22.0-138.2 -72.0 139.2 -10.3 4.1 -2.6 77 77 A D - 0 0 0 3,-0.6 41,-0.1 12,-0.5 -1,-0.1 -0.095 21.2-104.3 -89.1-170.3 -8.8 7.3 -3.8 78 78 A K S S+ 0 0 110 39,-0.3 40,-0.1 1,-0.1 3,-0.1 0.399 107.7 58.5-101.3 3.3 -10.2 9.8 -6.2 79 79 A G S S- 0 0 20 1,-0.4 2,-0.3 38,-0.1 -1,-0.1 0.919 114.8 -24.4 -92.9 -58.0 -8.0 8.9 -9.0 80 80 A Q - 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