==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 21-JUL-89 1SNC . COMPND 2 MOLECULE: THERMONUCLEASE PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.J.LOLL,E.E.LATTMAN . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7458.0 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 . 34 25.2 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.9 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 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 7 A L 0 0 99 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 156.2 0.8 36.5 21.3 2 8 A H - 0 0 140 68,-0.3 68,-0.6 69,-0.1 2,-0.3 -0.983 360.0-130.8-134.1 138.7 4.0 38.1 19.9 3 9 A K E -A 69 0A 70 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.687 23.0-170.0 -86.4 146.6 6.5 36.7 17.4 4 10 A E E -A 68 0A 39 64,-2.5 64,-2.8 -2,-0.3 2,-0.1 -0.977 27.1-102.6-133.3 149.8 10.2 36.7 18.2 5 11 A P E +A 67 0A 92 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.336 39.3 173.4 -72.2 150.4 13.2 35.9 15.9 6 12 A A E -A 66 0A 10 60,-1.8 60,-0.6 15,-0.1 2,-0.4 -0.924 24.1-130.8-147.6 160.7 15.0 32.6 16.2 7 13 A T E -B 20 0A 96 13,-2.2 13,-2.9 -2,-0.3 2,-0.1 -0.988 26.7-112.9-120.5 131.6 17.8 31.1 14.1 8 14 A L E +B 19 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.366 35.7 168.2 -62.8 138.0 17.7 27.5 12.7 9 15 A I E - 0 0 75 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.710 68.8 -29.8-107.6 -58.0 20.2 25.2 14.2 10 16 A K E -B 18 0A 121 8,-1.8 8,-3.5 50,-0.0 2,-0.4 -0.929 49.5-126.4-166.0 135.7 18.8 21.9 12.8 11 17 A A E -B 17 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.743 25.0-176.6 -81.0 132.4 15.5 20.4 11.9 12 18 A I - 0 0 54 4,-2.0 2,-0.2 1,-0.4 5,-0.2 0.802 58.3 -33.9 -98.7 -48.9 15.1 17.1 13.8 13 19 A D S S- 0 0 10 3,-2.3 -1,-0.4 39,-0.1 3,-0.3 -0.783 83.5 -62.0-156.0-165.6 11.8 15.7 12.4 14 20 A G S S+ 0 0 0 22,-0.4 83,-0.1 -2,-0.2 23,-0.1 0.775 131.5 21.1 -60.2 -34.3 8.4 16.9 11.2 15 21 A D S S+ 0 0 5 20,-0.1 15,-2.8 21,-0.1 2,-0.4 0.310 113.6 67.7-121.7 12.7 7.5 18.6 14.5 16 22 A T E + C 0 29A 14 -3,-0.3 -3,-2.3 13,-0.2 -4,-2.0 -0.994 52.8 167.7-137.1 130.5 10.7 19.1 16.4 17 23 A V E -BC 11 28A 2 11,-2.0 11,-3.1 -2,-0.4 2,-0.5 -0.991 31.3-127.1-142.2 148.0 13.4 21.6 15.5 18 24 A K E +BC 10 27A 47 -8,-3.5 -9,-2.7 -2,-0.3 -8,-1.8 -0.821 36.1 176.8 -97.8 129.9 16.5 23.0 17.2 19 25 A L E -BC 8 26A 0 7,-3.4 7,-2.6 -2,-0.5 2,-0.6 -0.936 35.7-123.7-131.8 157.1 16.7 26.7 17.3 20 26 A M E +BC 7 25A 68 -13,-2.9 -13,-2.2 -2,-0.3 2,-0.4 -0.882 39.6 177.4 -97.5 120.8 18.9 29.5 18.6 21 27 A Y E > - C 0 24A 37 3,-2.8 3,-1.4 -2,-0.6 -15,-0.1 -0.980 64.9 -11.9-133.0 118.8 16.6 31.6 20.7 22 28 A K T 3 S- 0 0 132 -17,-0.4 -1,-0.1 -2,-0.4 -16,-0.1 0.918 132.9 -52.0 58.2 39.5 17.7 34.7 22.7 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.0 -17,-0.0 0.574 119.5 107.0 72.5 15.3 21.2 33.5 22.1 24 30 A Q E < -C 21 0A 122 -3,-1.4 -3,-2.8 2,-0.0 2,-0.2 -0.985 69.5-121.5-133.3 138.9 20.6 30.0 23.4 25 31 A P E +C 20 0A 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.442 43.9 161.4 -70.7 133.0 20.2 26.6 21.7 26 32 A M E -C 19 0A 37 -7,-2.6 -7,-3.4 -2,-0.2 2,-0.5 -0.984 39.0-122.5-150.7 153.1 16.9 25.0 22.4 27 33 A T E -C 18 0A 45 -2,-0.3 55,-3.0 53,-0.3 2,-0.4 -0.813 28.5-158.3-101.1 131.3 14.7 22.3 21.0 28 34 A F E -Cd 17 82A 0 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.5 -0.921 6.0-155.8-107.5 142.4 11.2 23.4 20.1 29 35 A R E -Cd 16 83A 18 53,-3.6 55,-1.4 -2,-0.4 2,-0.2 -0.974 30.5-112.8-116.8 127.8 8.2 21.2 19.8 30 36 A L E > - d 0 84A 2 -15,-2.8 3,-0.9 -2,-0.5 55,-0.2 -0.469 33.6-121.8 -60.6 124.8 5.5 22.5 17.5 31 37 A L T 3 S+ 0 0 11 53,-2.6 55,-0.1 -2,-0.2 -1,-0.1 -0.284 83.9 8.1 -65.1 151.9 2.3 23.4 19.5 32 38 A L T 3 S+ 0 0 3 75,-0.4 74,-1.0 80,-0.2 2,-0.3 0.491 109.6 82.3 58.9 13.2 -1.0 21.6 18.6 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.3 72,-0.3 72,-0.2 -0.898 52.7-156.4-138.6 172.0 0.2 19.1 16.1 34 40 A D E -H 104 0B 26 70,-1.5 70,-1.8 -2,-0.3 3,-0.1 -0.931 8.6-165.6-148.8 113.5 1.8 15.7 15.8 35 41 A T - 0 0 2 -2,-0.3 68,-0.2 68,-0.2 -20,-0.1 -0.759 44.7 -81.0 -96.1 154.3 3.7 14.5 12.8 36 42 A P - 0 0 4 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.176 50.4-104.4 -60.8 140.3 4.4 10.8 12.4 37 43 A E + 0 0 40 1,-0.1 9,-1.2 -24,-0.1 12,-0.2 -0.349 38.5 169.2 -66.5 137.6 7.3 9.3 14.4 38 44 A T S S+ 0 0 28 7,-0.2 -1,-0.1 11,-0.2 7,-0.1 0.349 78.4 39.6-128.3 -8.3 10.5 8.5 12.6 39 45 A K S S+ 0 0 128 1,-0.0 6,-0.1 10,-0.0 -2,-0.1 0.852 81.9 84.4-112.0 -65.9 12.5 7.9 15.8 40 46 A H >> - 0 0 82 1,-0.2 4,-3.9 2,-0.1 3,-1.5 -0.268 55.7-153.1 -57.1 127.4 10.9 6.2 18.8 41 47 A P T 34 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.849 95.0 67.0 -65.8 -34.2 11.1 2.4 18.5 42 48 A K T 34 S+ 0 0 187 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.490 118.0 27.0 -64.4 -9.5 8.0 2.0 20.7 43 49 A K T <4 S- 0 0 104 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.592 99.3-154.4-118.0 -44.1 6.3 3.6 17.7 44 50 A G < - 0 0 28 -4,-3.9 2,-0.7 1,-0.1 -1,-0.2 -0.707 51.2 -43.2 96.8-153.7 8.6 2.6 14.8 45 51 A V S S- 0 0 96 -2,-0.3 -7,-0.2 -7,-0.1 3,-0.1 -0.824 71.5-152.7-114.4 85.4 8.8 4.7 11.6 46 52 A E > - 0 0 68 -9,-1.2 3,-1.8 -2,-0.7 2,-0.1 0.013 29.6 -79.2 -58.6 157.7 5.1 5.6 10.9 47 53 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.415 118.6 14.1 -61.8 134.4 3.7 6.3 7.5 48 54 A Y T 3> S+ 0 0 46 -3,-0.1 4,-3.2 -2,-0.1 -1,-0.3 0.348 91.4 119.8 77.2 -2.3 4.4 9.9 6.3 49 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.2 -35,-0.2 0.969 79.2 41.6 -51.9 -57.9 7.0 10.2 9.1 50 56 A P H > S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.800 114.7 50.4 -60.1 -40.0 9.7 10.8 6.5 51 57 A E H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 109.7 50.8 -65.3 -45.1 7.6 13.1 4.3 52 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.849 110.8 49.4 -61.6 -43.1 6.6 15.2 7.3 53 59 A S H X S+ 0 0 25 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.876 111.6 48.6 -63.0 -43.0 10.3 15.5 8.3 54 60 A A H X S+ 0 0 42 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.882 109.7 52.1 -65.7 -40.6 11.3 16.5 4.7 55 61 A F H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.976 113.5 42.7 -60.0 -56.8 8.5 19.1 4.5 56 62 A T H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.946 114.2 51.9 -55.5 -48.9 9.5 20.8 7.8 57 63 A K H X S+ 0 0 101 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.961 112.3 44.7 -51.1 -54.2 13.2 20.6 6.9 58 64 A K H X S+ 0 0 130 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.949 113.3 51.6 -55.0 -52.3 12.7 22.2 3.5 59 65 A M H < S+ 0 0 37 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.899 116.8 36.9 -55.6 -49.4 10.5 24.9 4.9 60 66 A V H < S+ 0 0 5 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.811 116.0 52.9 -79.0 -29.0 12.8 26.0 7.7 61 67 A E H < S+ 0 0 93 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.886 111.0 45.7 -76.8 -31.3 16.0 25.6 5.8 62 68 A N S < S+ 0 0 131 -4,-2.5 -1,-0.2 -5,-0.3 2,-0.2 0.473 89.8 112.4 -86.5 -5.0 14.9 27.7 2.8 63 69 A A - 0 0 23 -4,-0.4 3,-0.1 -3,-0.3 -3,-0.0 -0.437 56.5-153.8 -73.2 142.9 13.4 30.5 4.9 64 70 A K S S+ 0 0 174 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.909 87.5 21.9 -72.0 -49.8 14.9 34.0 5.0 65 71 A K - 0 0 140 -58,-0.0 24,-2.7 -60,-0.0 2,-0.4 -0.986 63.9-163.3-126.3 137.6 13.4 34.5 8.5 66 72 A I E -AE 6 88A 16 -60,-0.6 -60,-1.8 -2,-0.4 2,-0.3 -0.935 13.2-175.6-117.0 140.3 12.2 32.2 11.3 67 73 A E E -AE 5 87A 50 20,-2.3 20,-3.7 -2,-0.4 2,-0.4 -0.971 13.0-149.5-135.4 147.9 10.0 33.4 14.1 68 74 A V E -AE 4 86A 0 -64,-2.8 -64,-2.5 -2,-0.3 2,-0.5 -0.920 6.5-164.9-116.2 139.9 8.7 31.6 17.3 69 75 A E E -AE 3 85A 11 16,-2.7 16,-2.8 -2,-0.4 -66,-0.2 -0.968 8.4-154.2-129.5 111.7 5.4 32.5 18.9 70 76 A F E - E 0 84A 16 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.489 16.0-130.6 -78.5 156.1 4.8 31.2 22.4 71 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.160 31.2 -92.8 -91.3-166.3 1.2 30.6 23.5 72 78 A K S S+ 0 0 125 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.569 103.0 52.0 -92.3 -9.4 -0.3 31.9 26.8 73 79 A G S S- 0 0 18 1,-0.3 37,-0.1 36,-0.1 -2,-0.1 0.120 109.0 -14.7-102.3-145.0 0.3 28.9 29.0 74 80 A Q - 0 0 135 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.201 49.2-155.8 -56.9 143.0 3.5 26.9 29.7 75 81 A R S S+ 0 0 141 -3,-0.1 8,-2.2 -5,-0.1 2,-0.3 0.499 74.7 44.2-103.1 -3.7 6.4 27.5 27.4 76 82 A T B S-F 82 0A 72 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.944 72.4-137.2-137.5 150.6 8.2 24.3 27.9 77 83 A D > - 0 0 27 4,-1.7 3,-2.4 -2,-0.3 -2,-0.1 -0.408 47.3 -83.6 -96.4 178.1 7.0 20.6 28.1 78 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.700 129.3 57.3 -61.9 -11.9 8.3 18.1 30.6 79 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.330 119.7-107.8 -96.0 -0.2 11.3 17.3 28.4 80 86 A G S < S+ 0 0 46 -3,-2.4 2,-0.3 1,-0.3 -53,-0.3 0.687 70.7 145.7 82.7 15.9 12.4 20.9 28.4 81 87 A R - 0 0 66 -55,-0.1 -4,-1.7 1,-0.1 -53,-0.3 -0.696 54.0-115.7 -88.4 137.2 11.3 21.6 24.8 82 88 A G E -dF 28 76A 0 -55,-3.0 -53,-3.6 -2,-0.3 2,-0.6 -0.483 25.1-141.6 -68.8 145.1 10.0 25.1 24.0 83 89 A L E +d 29 0A 21 -8,-2.2 -12,-0.6 -55,-0.2 2,-0.3 -0.917 43.2 132.2-110.1 108.2 6.3 24.9 22.9 84 90 A A E -dE 30 70A 0 -55,-1.4 -53,-2.6 -2,-0.6 2,-0.5 -0.917 60.4-106.9-149.4 171.3 5.6 27.4 20.1 85 91 A Y E - 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