==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JAN-03 1OB8 . COMPND 2 MOLECULE: HOLLIDAY-JUNCTION RESOLVASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR C.L.MIDDLETON,J.L.PARKER,D.J.RICHARD,M.F.WHITE,C.S.BOND . 246 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 G > 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 4.2 22.4 56.3 12.5 2 7 A K H > + 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 360.0 51.9 -73.8 -38.1 19.9 54.0 10.8 3 8 A N H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 111.0 48.3 -63.5 -41.9 18.3 56.5 8.4 4 9 A A H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 110.5 52.1 -65.9 -39.9 21.7 57.6 7.1 5 10 A E H X S+ 0 0 14 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.905 108.9 50.2 -63.5 -41.5 22.7 53.9 6.7 6 11 A R H X S+ 0 0 130 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 110.5 49.9 -63.3 -40.7 19.6 53.2 4.7 7 12 A E H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.918 111.6 48.2 -62.9 -43.2 20.3 56.2 2.5 8 13 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.908 110.4 50.8 -66.6 -43.1 23.8 55.1 1.9 9 14 A V H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.921 110.1 51.2 -57.2 -44.4 22.7 51.5 1.1 10 15 A S H X S+ 0 0 81 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.895 110.6 48.6 -61.3 -41.1 20.2 53.0 -1.4 11 16 A I H X S+ 0 0 49 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.932 112.4 48.0 -62.0 -46.7 23.0 55.0 -3.0 12 17 A L H <>S+ 0 0 1 -4,-2.8 5,-2.7 2,-0.2 4,-0.2 0.904 111.6 49.5 -63.7 -41.1 25.3 52.0 -3.2 13 18 A R H ><5S+ 0 0 139 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.922 108.5 53.6 -65.0 -39.9 22.5 49.9 -4.8 14 19 A G H 3<5S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.6 53.6 -59.6 -31.5 21.8 52.7 -7.3 15 20 A E T 3<5S- 0 0 61 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.418 128.2 -99.4 -85.9 -0.5 25.5 52.5 -8.2 16 21 A G T < 5S+ 0 0 44 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.552 79.5 133.6 95.3 9.6 25.2 48.8 -8.8 17 22 A F < - 0 0 8 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.3 -0.710 60.3-128.3 -87.4 141.6 26.6 47.5 -5.5 18 23 A N E +A 34 0A 69 16,-3.3 16,-2.3 -2,-0.3 2,-0.4 -0.838 45.9 178.4 -80.4 113.5 24.9 44.8 -3.6 19 24 A A E +A 33 0A 0 -2,-0.8 2,-0.3 14,-0.3 14,-0.2 -0.960 15.2 175.9-128.9 141.0 24.7 46.6 -0.3 20 25 A V E -A 32 0A 16 12,-2.6 12,-2.0 -2,-0.4 2,-0.4 -0.999 27.1-129.0-144.4 142.4 23.3 45.7 3.1 21 26 A R E -A 31 0A 62 -2,-0.3 10,-0.3 10,-0.2 9,-0.1 -0.715 24.8-136.2 -81.3 140.0 23.2 47.2 6.5 22 27 A I - 0 0 8 8,-2.7 125,-0.1 -2,-0.4 6,-0.0 -0.886 26.0-117.0 -97.6 123.5 24.3 44.9 9.3 23 28 A P 0 0 24 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.254 360.0 360.0 -58.4 148.9 21.9 45.1 12.2 24 29 A T 0 0 136 121,-0.1 123,-0.1 2,-0.1 6,-0.0 -0.473 360.0 360.0 -71.4 360.0 23.6 46.3 15.4 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 35 A N 0 0 158 0, 0.0 35,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -68.6 29.4 46.0 17.3 27 36 A P + 0 0 81 0, 0.0 38,-0.1 0, 0.0 -3,-0.0 0.644 360.0 63.2 -81.6 -13.7 31.9 43.5 15.9 28 37 A L S S- 0 0 11 -5,-0.1 34,-0.1 1,-0.1 33,-0.1 -0.750 89.7 -95.4-116.1 158.0 30.8 44.2 12.3 29 38 A P - 0 0 1 0, 0.0 -7,-0.2 0, 0.0 14,-0.2 -0.175 33.7-118.2 -59.7 159.1 30.8 47.1 9.8 30 39 A D S S+ 0 0 30 12,-1.3 -8,-2.7 1,-0.2 2,-0.3 0.878 94.4 4.4 -61.4 -43.9 27.6 49.2 9.5 31 40 A I E -AB 21 42A 0 11,-1.8 11,-2.8 -10,-0.3 2,-0.3 -0.982 61.3-166.4-140.9 145.8 27.3 48.3 5.9 32 41 A F E -AB 20 41A 2 -12,-2.0 -12,-2.6 -2,-0.3 2,-0.3 -0.966 12.2-179.6-128.6 157.3 29.0 46.1 3.4 33 42 A A E -AB 19 40A 0 7,-1.8 7,-3.4 -2,-0.3 2,-0.4 -0.993 8.3-159.7-152.5 144.4 28.6 46.1 -0.3 34 43 A T E +AB 18 39A 8 -16,-2.3 -16,-3.3 -2,-0.3 2,-0.3 -0.967 13.6 171.1-128.2 149.3 30.0 44.3 -3.3 35 44 A K E > S- B 0 38A 69 3,-1.8 3,-2.3 -2,-0.4 2,-0.1 -0.903 72.3 -37.1-151.5 125.0 30.3 44.8 -7.0 36 45 A G T 3 S- 0 0 54 -2,-0.3 157,-0.1 1,-0.3 83,-0.0 -0.380 126.9 -23.9 57.8-125.2 32.4 42.5 -9.0 37 46 A N T 3 S+ 0 0 49 -2,-0.1 35,-2.8 -3,-0.1 2,-0.4 0.217 115.0 107.0 -99.8 14.8 35.3 41.4 -6.9 38 47 A T E < -Bc 35 72A 4 -3,-2.3 -3,-1.8 33,-0.2 2,-0.5 -0.815 47.5-169.8-102.2 133.2 35.2 44.5 -4.8 39 48 A L E -Bc 34 73A 1 33,-2.6 35,-2.5 -2,-0.4 2,-0.4 -0.988 6.9-157.5-122.3 123.2 34.0 44.4 -1.2 40 49 A L E -Bc 33 74A 0 -7,-3.4 -7,-1.8 -2,-0.5 2,-0.5 -0.877 1.8-163.9-100.3 135.3 33.4 47.7 0.7 41 50 A S E -Bc 32 75A 0 33,-1.9 35,-2.7 -2,-0.4 2,-0.4 -0.977 23.9-163.0-122.1 110.5 33.5 47.5 4.4 42 51 A I E -Bc 31 76A 2 -11,-2.8 -11,-1.8 -2,-0.5 -12,-1.3 -0.853 32.0-166.1-119.3 130.9 31.8 50.7 5.6 43 52 A E E - c 0 77A 11 33,-2.8 35,-2.9 -2,-0.4 2,-0.4 -0.961 30.2-158.0 -99.2 121.0 31.5 52.7 8.8 44 53 A C E + c 0 78A 8 -2,-0.6 2,-0.3 33,-0.2 35,-0.2 -0.870 17.6 168.9-110.1 132.0 28.6 55.1 8.1 45 54 A K E - c 0 79A 58 33,-2.4 35,-2.5 -2,-0.4 2,-0.4 -0.992 18.8-157.9-142.0 150.4 28.1 58.4 9.9 46 55 A S E + c 0 80A 44 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.981 23.9 163.4-126.2 139.7 25.9 61.4 9.4 47 56 A T E - c 0 81A 20 33,-2.5 35,-2.7 -2,-0.4 36,-0.5 -0.998 45.1-151.8-156.8 150.2 26.8 64.8 10.9 48 57 A W S S+ 0 0 174 -2,-0.3 -1,-0.1 34,-0.2 2,-0.1 0.451 81.7 89.8 -92.5 -9.5 26.1 68.5 10.8 49 58 A E S S- 0 0 126 2,-0.2 34,-0.3 1,-0.1 -2,-0.1 -0.305 85.3-121.2 -79.4 171.4 29.7 69.1 11.9 50 59 A N S S+ 0 0 87 -2,-0.1 52,-1.2 33,-0.1 2,-0.3 0.323 92.7 34.3 -97.1 6.4 32.7 69.6 9.6 51 60 A K E -F 101 0B 96 50,-0.2 2,-0.3 51,-0.1 50,-0.2 -0.989 60.9-161.3-156.1 156.7 34.5 66.6 11.1 52 61 A V E -F 100 0B 16 48,-2.2 48,-2.9 -2,-0.3 2,-0.5 -0.997 16.3-136.2-140.8 140.4 33.9 63.2 12.7 53 62 A K E -F 99 0B 101 -2,-0.3 2,-0.5 46,-0.2 46,-0.2 -0.855 15.7-170.9 -98.5 129.3 36.1 61.0 14.9 54 63 A V E -F 98 0B 0 44,-2.9 44,-2.6 -2,-0.5 42,-0.1 -0.990 22.7-130.9-116.8 123.8 36.3 57.4 14.1 55 64 A K >> - 0 0 90 -2,-0.5 4,-1.9 42,-0.2 3,-0.9 -0.313 20.0-110.1 -75.1 157.7 38.1 55.3 16.8 56 65 A E H 3> S+ 0 0 84 1,-0.3 4,-2.6 2,-0.2 40,-0.1 0.864 118.3 53.3 -50.3 -42.3 40.8 52.8 16.1 57 66 A H H 3> S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.769 105.5 53.2 -72.9 -26.9 38.6 49.9 17.0 58 67 A Q H <> S+ 0 0 41 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.918 111.8 45.4 -70.3 -44.3 35.9 51.0 14.6 59 68 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.2 0.911 110.1 55.8 -61.7 -43.5 38.4 51.1 11.8 60 69 A R H X S+ 0 0 109 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.868 102.8 55.3 -58.9 -38.4 39.8 47.7 12.9 61 70 A K H X S+ 0 0 22 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.893 107.2 50.2 -63.0 -38.8 36.3 46.2 12.6 62 71 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.926 114.8 43.5 -62.4 -45.2 36.2 47.4 9.0 63 72 A L H X S+ 0 0 49 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 111.8 52.2 -70.2 -42.5 39.6 45.8 8.3 64 73 A D H X S+ 0 0 82 -4,-3.2 4,-0.6 2,-0.2 -1,-0.2 0.851 108.1 52.9 -61.5 -36.5 38.9 42.6 10.2 65 74 A F H >< S+ 0 0 5 -4,-1.8 3,-1.4 -5,-0.2 4,-0.3 0.954 109.6 47.5 -64.1 -48.0 35.7 42.2 8.2 66 75 A L H >< S+ 0 0 21 -4,-1.9 3,-1.9 1,-0.3 5,-0.4 0.875 103.1 63.0 -58.2 -39.9 37.6 42.6 4.9 67 76 A S H 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.700 92.6 67.0 -60.3 -19.4 40.2 40.1 6.1 68 77 A M T << S+ 0 0 11 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.3 0.688 99.3 57.9 -71.2 -21.7 37.5 37.4 6.2 69 78 A F S < S- 0 0 12 -3,-1.9 2,-0.4 -4,-0.3 4,-0.1 -0.810 72.3-135.9-119.9 153.9 37.0 37.5 2.5 70 79 A T S S+ 0 0 65 -2,-0.3 2,-0.3 89,-0.1 -3,-0.1 -0.411 73.4 107.6 -99.9 47.6 39.1 36.8 -0.6 71 80 A M S S- 0 0 18 -2,-0.4 2,-0.9 -5,-0.4 -33,-0.2 -0.809 88.4 -91.0-112.5 164.1 37.7 39.9 -2.4 72 81 A K E -c 38 0A 109 -35,-2.8 -33,-2.6 -2,-0.3 2,-0.3 -0.707 55.4-153.2 -74.0 108.0 39.5 43.1 -3.1 73 82 A G E -c 39 0A 35 -2,-0.9 -33,-0.2 -35,-0.2 -35,-0.0 -0.627 21.6-174.0 -90.3 143.9 38.5 45.0 0.0 74 83 A V E -c 40 0A 10 -35,-2.5 -33,-1.9 -2,-0.3 2,-0.2 -0.960 15.9-149.3-132.0 114.2 38.2 48.7 0.5 75 84 A P E -c 41 0A 14 0, 0.0 2,-0.4 0, 0.0 -33,-0.2 -0.619 23.7-170.6 -78.5 146.4 37.5 49.9 4.0 76 85 A L E -c 42 0A 2 -35,-2.7 -33,-2.8 -2,-0.2 2,-0.6 -0.996 30.6-158.5-145.8 132.7 35.5 53.1 4.0 77 86 A I E -cD 43 90A 0 13,-2.9 13,-2.1 -2,-0.4 2,-0.5 -0.976 26.1-167.6-102.4 118.1 34.3 55.7 6.4 78 87 A A E -cD 44 89A 1 -35,-2.9 -33,-2.4 -2,-0.6 2,-0.4 -0.962 5.5-173.7-114.8 119.8 31.4 57.2 4.6 79 88 A I E -cD 45 88A 0 9,-3.3 9,-2.8 -2,-0.5 2,-1.0 -0.969 24.3-146.4-121.5 130.0 30.1 60.5 6.1 80 89 A K E -cD 46 87A 34 -35,-2.5 -33,-2.5 -2,-0.4 2,-1.4 -0.854 17.5-160.9 -90.0 103.8 27.1 62.4 5.1 81 90 A F E > > -cD 47 86A 0 5,-2.9 3,-1.8 -2,-1.0 5,-1.6 -0.757 8.8-174.1 -87.7 89.2 28.4 65.9 5.8 82 91 A K G > 5S+ 0 0 64 -35,-2.7 3,-0.7 -2,-1.4 -34,-0.2 0.771 75.2 67.9 -60.8 -27.4 25.0 67.5 6.0 83 92 A Q G 3 5S+ 0 0 98 -36,-0.5 -1,-0.3 -34,-0.3 -35,-0.1 0.666 115.8 27.8 -72.8 -14.6 26.4 71.0 6.3 84 93 A V G < 5S- 0 0 65 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.204 108.5-124.2-119.5 9.1 27.7 70.6 2.7 85 94 A H T < 5 + 0 0 155 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.911 69.7 119.9 50.0 53.1 24.9 68.2 1.6 86 95 A E E < -D 81 0A 65 -5,-1.6 -5,-2.9 2,-0.0 2,-0.6 -0.997 63.5-133.4-151.2 137.5 27.4 65.6 0.5 87 96 A W E +D 80 0A 18 -2,-0.3 21,-2.8 -7,-0.3 22,-0.4 -0.840 36.1 177.1 -84.6 125.4 28.5 62.1 1.2 88 97 A R E -DE 79 107A 38 -9,-2.8 -9,-3.3 -2,-0.6 2,-0.3 -0.908 10.5-152.9-130.2 156.1 32.2 62.0 1.4 89 98 A V E -DE 78 106A 2 17,-3.0 17,-2.3 -2,-0.3 2,-0.4 -0.928 12.6-163.1-134.6 154.7 34.5 59.1 2.2 90 99 A L E -D 77 0A 26 -13,-2.1 -13,-2.9 -2,-0.3 15,-0.1 -0.997 17.4-143.0-133.5 134.2 37.9 58.4 3.6 91 100 A V - 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