==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 18-MAY-09 2WIW . COMPND 2 MOLECULE: HJC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.CAROLIS,C.KOEHLER,C.SAUTER,J.BASQUIN,D.SUCK,I.TOEROE . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 21.1 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 . 0 0.0 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-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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 21.5 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 1 1 0 0 0 0 0 0 1 1 2 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 2 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 3 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 5 A G > 0 0 54 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -91.7 17.8 5.3 -36.6 2 6 A T H > + 0 0 134 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.817 360.0 63.2 -63.7 -32.5 17.2 5.2 -32.8 3 7 A R H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 99.8 47.1 -57.1 -51.9 20.1 7.7 -33.0 4 8 A F H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.788 108.7 54.6 -68.6 -29.3 18.3 10.4 -35.0 5 9 A E H X S+ 0 0 68 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.927 108.3 49.3 -68.5 -43.3 15.2 10.3 -32.8 6 10 A R H X S+ 0 0 148 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.946 111.0 51.8 -56.3 -44.9 17.3 10.9 -29.8 7 11 A D H X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.867 107.6 51.6 -59.9 -39.4 18.9 13.8 -31.8 8 12 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.938 111.2 46.1 -64.8 -46.0 15.4 15.2 -32.6 9 13 A L H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.905 112.3 51.4 -63.5 -39.1 14.3 15.2 -28.9 10 14 A V H X S+ 0 0 33 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.919 109.6 50.3 -67.3 -40.0 17.6 16.7 -27.8 11 15 A E H X S+ 0 0 84 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.911 111.2 48.3 -60.4 -41.8 17.2 19.5 -30.4 12 16 A L H <>S+ 0 0 1 -4,-2.3 5,-2.3 2,-0.2 -2,-0.2 0.932 112.0 49.6 -64.2 -43.5 13.7 20.2 -29.2 13 17 A W H ><5S+ 0 0 131 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.920 109.7 50.7 -62.1 -42.4 14.9 20.3 -25.5 14 18 A K H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.2 58.0 -67.4 -24.7 17.8 22.7 -26.4 15 19 A A T 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.416 127.9 -98.5 -84.4 1.7 15.2 24.9 -28.2 16 20 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.583 80.0 130.9 97.1 10.8 13.3 25.2 -24.9 17 21 A F < - 0 0 4 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.773 54.0-139.5 -96.3 138.2 10.5 22.6 -25.4 18 22 A A E -A 38 0A 20 20,-2.8 20,-2.2 -2,-0.4 2,-0.4 -0.898 37.4-174.0 -81.4 124.6 9.5 19.9 -23.0 19 23 A A E -A 37 0A 27 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.972 14.3-170.9-131.5 134.5 9.0 17.0 -25.4 20 24 A I E -A 36 0A 6 16,-2.6 16,-2.3 -2,-0.4 2,-0.4 -0.917 22.8-124.8-121.2 149.7 7.7 13.5 -25.0 21 25 A R E -A 35 0A 87 123,-0.4 123,-2.7 -2,-0.3 2,-0.4 -0.749 33.0-123.9 -85.6 139.3 7.5 10.4 -27.2 22 26 A V E +F 143 0B 17 12,-2.4 121,-0.2 -2,-0.4 3,-0.1 -0.715 27.8 178.6 -91.4 129.4 4.0 9.0 -27.6 23 27 A A E - 0 0 48 119,-2.6 2,-0.3 -2,-0.4 120,-0.2 0.801 62.2 -66.2 -90.4 -36.8 3.1 5.4 -26.7 24 28 A G E -F 142 0B 15 118,-0.9 118,-2.9 7,-0.1 -1,-0.4 -0.955 28.2-111.0 165.2 177.6 -0.6 5.6 -27.5 25 29 A S - 0 0 23 3,-0.3 115,-0.2 -2,-0.3 109,-0.1 0.329 43.9-125.5-119.7 -0.5 -4.0 7.0 -26.7 26 30 A G S S+ 0 0 19 2,-0.2 105,-0.1 1,-0.1 115,-0.1 0.250 100.5 60.4 77.2 -14.8 -5.8 3.9 -25.4 27 31 A V S S+ 0 0 60 3,-0.1 -1,-0.1 103,-0.1 104,-0.0 0.669 92.9 63.1-115.9 -28.8 -8.7 4.4 -27.9 28 32 A S S S- 0 0 50 2,-0.1 -3,-0.3 1,-0.1 -2,-0.2 -0.692 73.2-133.4-100.2 153.7 -7.1 4.1 -31.3 29 33 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.722 92.4 59.0 -72.9 -21.2 -5.2 1.1 -32.8 30 34 A F S S- 0 0 128 2,-0.0 2,-0.4 -5,-0.0 -5,-0.1 -0.914 85.9-121.2-116.5 135.6 -2.4 3.4 -33.9 31 35 A P - 0 0 67 0, 0.0 -7,-0.1 0, 0.0 -9,-0.1 -0.598 39.0-145.1 -70.6 127.1 -0.1 5.7 -31.8 32 36 A C + 0 0 21 -2,-0.4 2,-0.2 2,-0.1 15,-0.1 -0.987 59.3 9.4-153.5 133.8 -0.4 9.3 -33.0 33 37 A P - 0 0 0 0, 0.0 14,-0.2 0, 0.0 3,-0.1 0.631 65.8-137.5 -81.4-154.6 1.4 11.6 -33.1 34 38 A D S S+ 0 0 50 12,-2.1 -12,-2.4 1,-0.3 2,-0.4 0.834 84.9 17.4 -90.8 -40.2 5.1 10.5 -32.5 35 39 A I E -AB 21 46A 0 11,-2.0 11,-2.9 -14,-0.2 2,-0.4 -0.992 59.0-164.0-133.0 141.4 6.1 13.5 -30.3 36 40 A V E +AB 20 45A 0 -16,-2.3 -16,-2.6 -2,-0.4 2,-0.3 -0.993 20.3 177.0-120.7 134.6 4.2 16.1 -28.4 37 41 A A E +AB 19 44A 0 7,-2.3 7,-3.0 -2,-0.4 2,-0.3 -0.959 10.5 178.0-138.6 153.4 6.0 19.2 -27.2 38 42 A G E -AB 18 43A 0 -20,-2.2 -20,-2.8 -2,-0.3 5,-0.2 -0.996 19.4-175.9-152.4 148.4 5.3 22.4 -25.4 39 43 A N - 0 0 50 3,-1.7 156,-0.2 -2,-0.3 155,-0.2 0.266 66.2 -90.8-124.5 10.3 7.2 25.5 -24.2 40 44 A G S S+ 0 0 42 154,-1.6 155,-0.1 2,-0.4 3,-0.1 0.161 122.6 38.3 101.4 -16.3 4.4 27.3 -22.4 41 45 A R S S+ 0 0 196 1,-0.4 2,-0.4 153,-0.1 -1,-0.0 0.600 113.9 44.5-132.0 -43.5 3.4 29.3 -25.5 42 46 A T - 0 0 18 152,-0.1 -3,-1.7 33,-0.0 -1,-0.4 -0.918 62.9-164.2-112.9 133.7 3.7 27.0 -28.5 43 47 A Y E -B 38 0A 27 -2,-0.4 33,-2.7 -5,-0.2 2,-0.4 -0.984 8.6-160.2-120.7 136.1 2.4 23.4 -28.5 44 48 A L E -Bc 37 76A 1 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.6 -0.934 17.2-167.2-121.1 133.5 3.5 20.9 -31.2 45 49 A A E -Bc 36 77A 0 31,-2.8 33,-2.7 -2,-0.4 2,-0.5 -0.975 28.5-166.2-113.9 115.2 2.0 17.6 -32.4 46 50 A I E -Bc 35 78A 0 -11,-2.9 -12,-2.1 -2,-0.6 -11,-2.0 -0.905 24.3-161.2-119.9 125.2 4.8 16.0 -34.5 47 51 A E E - c 0 79A 24 31,-2.6 33,-3.0 -2,-0.5 2,-0.4 -0.891 26.1-148.1 -95.1 126.4 4.7 13.2 -37.0 48 52 A V E + c 0 80A 20 -2,-0.5 2,-0.3 31,-0.2 33,-0.2 -0.855 21.3 173.0-108.0 129.1 8.4 12.0 -37.4 49 53 A K E - c 0 81A 27 31,-2.7 33,-2.2 -2,-0.4 2,-0.4 -0.996 17.5-163.8-138.0 139.7 9.7 10.6 -40.7 50 54 A M E + c 0 82A 87 -2,-0.3 2,-0.3 31,-0.2 33,-0.2 -0.968 16.0 177.1-120.0 139.3 13.1 9.6 -42.1 51 55 A R - 0 0 97 31,-2.2 3,-0.1 -2,-0.4 5,-0.1 -0.999 36.6-139.2-142.2 142.3 13.7 9.1 -45.8 52 56 A K S S- 0 0 180 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.806 91.1 -15.8 -67.4 -29.6 16.7 8.2 -47.9 53 57 A E S S- 0 0 140 2,-0.1 -1,-0.2 30,-0.1 -3,-0.0 -0.987 89.0 -41.8-165.6 166.2 15.4 10.8 -50.4 54 58 A L S S+ 0 0 30 -2,-0.3 52,-0.1 -3,-0.1 2,-0.1 -0.378 83.8 60.3 -72.9 156.4 12.4 12.9 -51.5 55 59 A P - 0 0 44 0, 0.0 2,-0.6 0, 0.0 51,-0.2 0.511 57.9-160.0 -88.6 157.5 9.6 12.8 -51.9 56 60 A L E -L 105 0C 0 49,-2.5 49,-2.4 -2,-0.1 2,-0.4 -0.886 13.6-158.9 -84.8 123.8 8.0 12.0 -48.6 57 61 A Y E -L 104 0C 130 -2,-0.6 2,-0.4 47,-0.2 47,-0.3 -0.891 7.5-170.0-102.3 137.1 4.5 10.7 -49.2 58 62 A L E -L 103 0C 5 45,-2.4 45,-2.5 -2,-0.4 2,-0.1 -0.980 22.9-119.1-122.0 138.3 1.9 10.7 -46.4 59 63 A S > - 0 0 44 -2,-0.4 4,-2.2 43,-0.2 5,-0.2 -0.376 19.2-122.0 -70.8 154.3 -1.5 9.0 -46.5 60 64 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 114.5 55.4 -57.9 -38.3 -4.7 11.0 -46.2 61 65 A D H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 107.7 46.6 -64.5 -44.8 -5.5 8.9 -43.2 62 66 A E H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.901 114.2 47.1 -70.4 -34.2 -2.3 9.7 -41.4 63 67 A V H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.901 112.0 51.4 -68.5 -38.2 -2.6 13.4 -42.1 64 68 A E H X S+ 0 0 131 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.930 110.1 48.9 -63.5 -45.4 -6.3 13.4 -41.0 65 69 A Q H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.895 112.7 48.2 -60.0 -42.4 -5.4 11.6 -37.7 66 70 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 113.4 45.8 -66.8 -44.7 -2.6 14.2 -37.0 67 71 A V H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.901 112.8 51.2 -65.6 -38.5 -4.8 17.2 -37.7 68 72 A T H X S+ 0 0 83 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.930 112.3 46.3 -67.5 -41.8 -7.6 15.7 -35.6 69 73 A F H X S+ 0 0 22 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.951 111.8 51.0 -62.4 -50.4 -5.3 15.2 -32.7 70 74 A A H X>S+ 0 0 5 -4,-2.6 5,-2.4 1,-0.2 4,-2.4 0.912 112.6 46.1 -55.7 -44.8 -3.8 18.6 -33.0 71 75 A R H <5S+ 0 0 188 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.7 45.4 -65.0 -41.6 -7.2 20.3 -33.0 72 76 A G H <5S+ 0 0 30 -4,-2.2 67,-0.4 -5,-0.2 -2,-0.2 0.836 119.7 41.4 -72.9 -29.9 -8.5 18.2 -30.1 73 77 A F H <5S- 0 0 0 -4,-2.8 88,-1.4 87,-0.2 87,-0.3 0.844 110.1-114.4 -84.8 -34.9 -5.3 18.7 -28.1 74 78 A G T <5S+ 0 0 19 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.779 71.7 123.7 92.7 46.6 -4.7 22.4 -28.8 75 79 A A < - 0 0 18 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.3 -0.863 65.1-105.6-133.0 166.7 -1.4 22.0 -30.8 76 80 A E E -c 44 0A 92 -33,-2.7 -31,-2.8 -2,-0.3 2,-0.4 -0.826 36.9-126.9 -93.7 128.7 0.1 22.8 -34.1 77 81 A A E +c 45 0A 12 -2,-0.5 16,-2.2 -33,-0.2 2,-0.3 -0.660 37.5 171.2 -83.6 129.5 0.4 19.9 -36.5 78 82 A Y E -cD 46 92A 14 -33,-2.7 -31,-2.6 -2,-0.4 2,-0.5 -0.972 30.5-144.6-136.1 150.9 3.8 19.3 -37.9 79 83 A V E -cD 47 91A 0 12,-2.4 12,-2.7 -2,-0.3 2,-0.5 -0.971 16.1-156.8-110.7 126.1 5.8 16.8 -39.9 80 84 A A E -cD 48 90A 0 -33,-3.0 -31,-2.7 -2,-0.5 2,-0.4 -0.930 14.9-169.9-100.7 124.8 9.5 16.5 -38.9 81 85 A L E -cD 49 89A 0 8,-3.0 8,-1.8 -2,-0.5 2,-0.5 -0.966 11.3-164.3-124.8 129.4 11.5 15.1 -41.8 82 86 A K E -c 50 0A 22 -33,-2.2 -31,-2.2 -2,-0.4 6,-0.1 -0.952 8.7-177.1-110.2 121.5 15.2 13.8 -41.7 83 87 A L > - 0 0 18 -2,-0.5 3,-1.9 4,-0.4 -31,-0.2 -0.799 44.0 -79.7-107.8 159.5 17.1 13.3 -45.0 84 88 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.300 115.3 4.8 -60.5 137.0 20.7 12.0 -45.2 85 89 A R T 3 S+ 0 0 243 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.611 111.8 108.6 68.8 11.5 23.3 14.6 -44.3 86 90 A K S < S- 0 0 89 -3,-1.9 -1,-0.2 3,-0.0 3,-0.1 -0.898 72.0-113.8-119.0 149.5 20.6 17.1 -43.5 87 91 A K - 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0 0 33 3,-2.7 5,-0.1 -2,-0.3 -42,-0.0 -0.454 55.6 -76.1 -99.2-170.9 -1.5 14.1 -54.6 100 104 A E S S- 0 0 186 -2,-0.2 -2,-0.0 1,-0.2 3,-0.0 0.915 125.4 -3.6 -56.1 -44.7 -4.7 12.7 -56.1 101 105 A K S S+ 0 0 180 2,-0.0 -41,-0.2 -3,-0.0 -1,-0.2 0.548 132.9 34.1-122.8 -14.1 -5.7 11.0 -52.9 102 106 A N S S- 0 0 65 -43,-0.1 -3,-2.7 -42,-0.1 2,-0.3 -0.276 74.7 -96.1-128.4-155.5 -2.7 11.7 -50.5 103 107 A F E -LM 58 98C 22 -45,-2.5 -45,-2.4 -5,-0.3 2,-0.3 -0.889 28.2-175.9-133.9 160.5 -0.0 14.2 -49.5 104 108 A K E -LM 57 97C 53 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.5 -0.998 27.7-147.9-154.3 152.3 3.7 14.8 -50.2 105 109 A I E +L 56 0C 0 -49,-2.4 -49,-2.5 -2,-0.3 2,-0.2 -0.981 40.2 168.9-114.8 108.7 6.8 16.8 -49.4 106 110 A D >> - 0 0 34 -2,-0.5 4,-2.5 -51,-0.2 3,-0.9 -0.424 53.0 -75.1-107.1-168.6 8.7 17.0 -52.7 107 111 A E T 34 S+ 0 0 143 1,-0.3 -53,-0.0 2,-0.2 -2,-0.0 0.796 128.2 54.8 -62.5 -29.0 11.7 19.0 -53.8 108 112 A S T 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.775 115.6 37.3 -77.3 -24.9 9.7 22.1 -54.3 109 113 A V T X> S+ 0 0 3 -3,-0.9 3,-2.5 2,-0.1 4,-0.5 0.828 99.1 75.5 -92.2 -36.3 8.3 22.1 -50.7 110 114 A Y G >< S+ 0 0 17 -4,-2.5 3,-1.6 1,-0.3 -2,-0.1 0.835 90.3 57.0 -48.6 -42.4 11.4 20.8 -48.8 111 115 A P G 34 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.697 100.5 60.4 -65.7 -16.4 13.3 24.2 -49.1 112 116 A L G <4 S+ 0 0 107 -3,-2.5 -2,-0.2 -4,-0.1 -3,-0.1 0.577 80.7 112.5 -83.9 -13.9 10.3 25.9 -47.3 113 117 A G << - 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