==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-APR-00 1EQV . COMPND 2 MOLECULE: THERMONUCLEASE; . 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) . 7604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 69.1 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 . 36 26.5 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 . 10 7.4 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 2 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 6 A K 0 0 258 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 147.7 -2.1 38.5 22.7 2 7 A L - 0 0 44 68,-0.1 2,-0.4 113,-0.0 70,-0.1 -0.467 360.0-160.5 -76.4 152.8 0.4 36.2 21.2 3 8 A H - 0 0 100 68,-0.3 68,-0.5 -2,-0.1 2,-0.2 -0.996 14.4-126.4-136.9 141.0 3.6 37.6 19.7 4 9 A K E -A 70 0A 92 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.577 25.5-167.7 -84.5 145.7 6.0 36.2 17.2 5 10 A E E -A 69 0A 21 64,-2.1 64,-3.1 -2,-0.2 2,-0.0 -0.991 24.2-105.0-133.1 147.1 9.7 36.2 18.1 6 11 A P E +A 68 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.303 40.3 167.6 -71.4 149.6 12.8 35.6 15.9 7 12 A A E -A 67 0A 13 60,-1.8 60,-0.6 15,-0.1 2,-0.4 -0.937 27.7-124.9-149.8 168.6 14.8 32.3 16.1 8 13 A T E -B 21 0A 92 13,-2.3 13,-3.1 -2,-0.3 2,-0.1 -0.987 25.2-114.8-126.7 132.3 17.4 30.7 14.0 9 14 A L E +B 20 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.328 36.6 165.0 -63.4 130.1 17.3 27.2 12.5 10 15 A I E - 0 0 73 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.708 66.1 -29.6-106.4 -58.1 19.9 24.8 13.8 11 16 A K E -B 19 0A 131 8,-1.7 8,-3.5 0, 0.0 2,-0.5 -0.979 49.8-122.4-163.7 140.1 18.5 21.5 12.6 12 17 A A E +B 18 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.729 29.8 177.3 -84.9 129.7 15.2 19.8 11.7 13 18 A I - 0 0 47 4,-1.8 2,-0.3 -2,-0.5 5,-0.2 0.795 56.7 -19.1-103.2 -38.8 14.8 16.7 13.9 14 19 A D S S- 0 0 7 3,-2.4 3,-0.4 40,-0.1 -1,-0.3 -0.896 76.7 -82.7-156.2-179.3 11.4 15.2 13.0 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.876 131.8 31.0 -64.4 -29.1 8.1 16.1 11.5 16 21 A D S S+ 0 0 4 20,-0.1 15,-2.8 21,-0.1 2,-0.4 0.321 116.3 61.0-111.1 6.4 7.0 17.6 14.8 17 22 A T E + C 0 30A 8 -3,-0.4 -3,-2.4 13,-0.2 -4,-1.8 -0.997 49.7 171.6-142.7 135.7 10.4 18.8 16.3 18 23 A V E -BC 12 29A 0 11,-2.0 11,-3.0 -2,-0.4 2,-0.5 -0.987 27.6-130.9-141.0 145.5 13.0 21.2 15.2 19 24 A K E +BC 11 28A 86 -8,-3.5 -9,-2.3 -2,-0.3 -8,-1.7 -0.866 35.1 174.2-100.6 129.9 16.1 22.5 17.0 20 25 A L E -BC 9 27A 0 7,-3.0 7,-2.9 -2,-0.5 2,-0.6 -0.911 38.4-117.7-133.2 161.9 16.5 26.3 16.9 21 26 A M E +BC 8 26A 68 -13,-3.1 -13,-2.3 -2,-0.3 2,-0.5 -0.906 40.2 178.9 -98.0 116.9 18.7 29.0 18.4 22 27 A Y E > - C 0 25A 16 3,-2.8 3,-1.5 -2,-0.6 -15,-0.1 -0.984 65.3 -17.2-128.5 116.8 16.3 31.1 20.5 23 28 A K T 3 S- 0 0 153 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.911 129.3 -49.9 54.7 47.1 17.6 34.1 22.5 24 29 A G T 3 S+ 0 0 72 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.492 121.2 99.8 75.7 2.8 21.2 32.9 22.2 25 30 A Q E < S-C 22 0A 107 -3,-1.5 -3,-2.8 2,-0.0 2,-0.2 -0.977 72.3-124.4-128.7 131.1 20.4 29.4 23.4 26 31 A P E +C 21 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.526 41.2 170.7 -67.9 136.8 20.0 26.2 21.3 27 32 A M E -C 20 0A 30 -7,-2.9 -7,-3.0 -2,-0.2 2,-0.5 -0.994 35.6-122.4-149.0 151.5 16.6 24.6 22.1 28 33 A T E -C 19 0A 45 -2,-0.3 55,-2.8 53,-0.3 2,-0.5 -0.799 29.4-156.3 -96.3 129.9 14.5 21.8 20.9 29 34 A F E -Cd 18 83A 0 -11,-3.0 -11,-2.0 -2,-0.5 2,-0.5 -0.942 6.3-154.4-112.8 130.3 11.0 23.0 19.9 30 35 A R E -Cd 17 84A 34 53,-3.3 55,-1.5 -2,-0.5 2,-0.4 -0.909 30.7-115.2-101.2 123.9 8.0 20.7 19.8 31 36 A L E > - d 0 85A 2 -15,-2.8 3,-1.1 -2,-0.5 55,-0.2 -0.471 35.2-119.2 -63.0 117.8 5.3 22.0 17.4 32 37 A L T 3 S+ 0 0 13 53,-3.0 55,-0.1 -2,-0.4 -1,-0.1 -0.257 82.1 2.2 -59.4 142.4 2.2 22.9 19.3 33 38 A L T 3 S+ 0 0 13 80,-0.1 74,-2.0 75,-0.1 2,-0.4 0.510 101.9 102.7 62.6 13.2 -1.1 21.1 18.7 34 39 A V E < -H 106 0B 0 -3,-1.1 2,-0.5 72,-0.3 72,-0.2 -0.968 49.3-158.8-131.7 145.9 -0.1 18.6 16.0 35 40 A D E -H 105 0B 80 70,-2.7 70,-2.4 -2,-0.4 -3,-0.0 -0.982 18.0-173.7-118.2 118.3 0.7 14.9 15.9 36 41 A T - 0 0 11 -2,-0.5 2,-0.3 68,-0.2 68,-0.2 -0.746 37.2 -93.3-109.4 157.1 2.8 13.7 13.0 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 17,-0.2 -0.551 53.4-127.3 -67.3 130.3 3.7 10.1 12.1 38 43 A E + 0 0 42 -2,-0.3 9,-2.9 1,-0.1 12,-0.3 -0.445 36.9 177.0 -88.6 155.1 7.0 9.5 13.8 39 44 A T S S+ 0 0 33 7,-0.3 -1,-0.1 11,-0.2 -25,-0.1 0.472 96.4 42.9-115.6 -30.6 10.2 8.2 12.4 40 45 A K S S+ 0 0 131 10,-0.1 6,-0.1 6,-0.0 -2,-0.0 -0.412 85.1 152.4-111.5 46.2 12.0 8.5 15.8 41 46 A H B > -I 45 0C 55 4,-1.4 4,-1.7 1,-0.1 3,-0.1 -0.746 44.8-137.1 -85.0 129.4 9.0 7.1 17.7 42 47 A P T 4 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.897 96.9 20.4 -47.1 -61.7 9.9 5.4 21.1 43 48 A K T 4 S+ 0 0 199 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.578 138.2 26.9 -92.8 -9.2 7.7 2.3 20.8 44 49 A K T 4 S- 0 0 146 1,-0.2 2,-0.7 -3,-0.1 -1,-0.1 0.675 76.3-160.9-123.5 -28.8 7.0 2.1 17.1 45 50 A G B < +I 41 0C 25 -4,-1.7 -4,-1.4 2,-0.0 2,-0.6 -0.723 67.9 21.0 84.9-112.5 9.9 3.7 15.1 46 51 A V - 0 0 97 -2,-0.7 -7,-0.3 -6,-0.1 2,-0.2 -0.857 68.2-167.3-102.6 118.1 8.8 4.6 11.6 47 52 A E > - 0 0 50 -9,-2.9 3,-1.9 -2,-0.6 -2,-0.0 -0.616 39.5 -90.6 -97.5 159.3 5.0 5.0 10.9 48 53 A K T 3 S+ 0 0 164 1,-0.3 4,-0.2 -2,-0.2 -1,-0.0 0.759 120.6 27.0 -39.8 -54.1 3.6 5.2 7.3 49 54 A Y T 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.378 93.6 103.2 -99.3 16.2 3.6 9.0 6.6 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.5 -12,-0.3 -11,-0.2 0.844 78.2 47.2 -63.6 -45.6 6.5 9.8 8.9 51 56 A P H > S+ 0 0 59 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.877 114.2 50.4 -66.3 -34.1 9.3 10.3 6.4 52 57 A E H > S+ 0 0 95 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.940 113.1 43.8 -67.3 -46.7 7.0 12.4 4.3 53 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.912 114.8 51.2 -64.6 -40.5 6.0 14.7 7.3 54 59 A S H X S+ 0 0 29 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.944 110.9 47.0 -62.4 -45.8 9.6 14.8 8.4 55 60 A A H X S+ 0 0 58 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.886 110.7 54.0 -64.4 -37.9 10.8 15.8 4.9 56 61 A F H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.948 109.9 44.2 -60.9 -54.0 8.0 18.4 4.7 57 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.953 114.2 52.2 -58.2 -44.6 9.0 20.2 7.9 58 63 A K H X S+ 0 0 92 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.927 111.4 44.8 -57.4 -51.2 12.7 20.0 7.0 59 64 A K H X S+ 0 0 137 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.906 112.4 53.0 -62.5 -41.1 12.2 21.6 3.6 60 65 A M H < S+ 0 0 27 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.926 116.4 35.2 -64.0 -46.9 9.9 24.3 5.0 61 66 A V H >< S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.872 115.3 57.9 -78.4 -30.3 12.2 25.6 7.7 62 67 A E H 3< S+ 0 0 88 -4,-2.6 -2,-0.2 -5,-0.4 -1,-0.2 0.831 109.0 42.8 -68.1 -31.9 15.3 25.0 5.6 63 68 A N T 3< S+ 0 0 108 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.484 91.2 113.0 -94.1 1.4 14.3 27.2 2.8 64 69 A A < - 0 0 23 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.360 53.5-157.2 -74.6 148.3 12.9 30.0 4.9 65 70 A K S S+ 0 0 177 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.829 86.4 28.0 -85.9 -43.5 14.5 33.5 5.1 66 71 A K - 0 0 132 -58,-0.0 24,-3.0 -60,-0.0 2,-0.4 -0.987 65.6-167.5-125.5 131.1 12.9 34.2 8.5 67 72 A I E -AE 7 89A 14 -60,-0.6 -60,-1.8 -2,-0.4 2,-0.3 -0.945 12.7-177.5-114.9 133.9 11.9 31.8 11.2 68 73 A E E -AE 6 88A 53 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.967 15.1-148.4-130.7 147.4 9.7 33.0 14.1 69 74 A V E -AE 5 87A 0 -64,-3.1 -64,-2.1 -2,-0.3 2,-0.5 -0.931 6.9-165.5-115.0 140.1 8.4 31.2 17.2 70 75 A E E -AE 4 86A 12 16,-2.5 16,-2.5 -2,-0.4 -66,-0.2 -0.954 9.4-154.2-127.6 107.9 5.1 32.1 18.8 71 76 A F E - E 0 85A 10 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.428 15.6-131.5 -74.8 154.7 4.5 30.8 22.3 72 77 A D - 0 0 4 12,-0.6 41,-0.2 3,-0.3 -1,-0.1 -0.146 33.8 -86.9 -91.1-161.2 0.9 30.2 23.4 73 78 A K S S+ 0 0 127 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.661 103.7 54.5 -85.6 -18.5 -0.7 31.4 26.7 74 79 A G S S- 0 0 17 1,-0.3 37,-0.0 36,-0.1 -2,-0.0 0.138 107.2 -21.5 -94.4-146.9 0.2 28.5 29.0 75 80 A Q - 0 0 133 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.244 49.7-149.1 -62.2 150.9 3.5 26.8 29.8 76 81 A R S S+ 0 0 117 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.477 75.4 41.6-101.2 -8.6 6.4 27.3 27.3 77 82 A T B S-F 83 0A 66 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.973 73.1-134.4-137.0 148.9 8.3 24.0 27.7 78 83 A D > - 0 0 26 4,-2.3 3,-2.2 -2,-0.3 -2,-0.1 -0.355 45.0 -84.3 -89.7-176.9 7.1 20.4 28.1 79 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.622 129.5 57.7 -66.4 -13.8 8.4 17.9 30.6 80 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.273 120.9-108.3 -95.9 7.4 11.2 17.0 28.3 81 86 A G S < S+ 0 0 46 -3,-2.2 2,-0.3 1,-0.3 -53,-0.3 0.579 71.4 144.6 79.1 6.3 12.4 20.6 28.3 82 87 A R - 0 0 61 -55,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.616 54.7-113.0 -80.0 139.7 11.2 21.2 24.7 83 88 A G E -dF 29 77A 0 -55,-2.8 -53,-3.3 -2,-0.3 2,-0.7 -0.447 24.3-141.2 -68.9 142.2 9.8 24.6 23.8 84 89 A L E +d 30 0A 24 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.910 44.6 131.6-109.2 108.0 6.1 24.5 23.0 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-3.0 -2,-0.7 2,-0.5 -0.922 61.5-109.7-152.4 169.6 5.3 26.8 20.1 86 91 A Y E - 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