==== 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 2WJ0 . COMPND 2 MOLECULE: ARCHAEAL HJC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.CAROLIS,C.KOEHLER,C.SAUTER,J.BASQUIN,D.SUCK,I.TOEROE . 250 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 20.4 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 . 1 0.4 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 22.4 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 1 1 0 0 0 0 0 0 1 3 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 . 3 2 1 7 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 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 3 A S > 0 0 158 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 29.1 42.1 -42.8 11.2 2 4 A K T >> + 0 0 119 1,-0.2 3,-1.1 2,-0.1 4,-0.9 0.618 360.0 103.0 -69.5 -14.0 43.7 -43.6 14.5 3 5 A G H >> + 0 0 38 1,-0.3 4,-2.0 2,-0.2 3,-0.6 0.785 68.3 66.4 -37.9 -39.5 40.2 -43.2 15.9 4 6 A T H <> S+ 0 0 63 -3,-1.0 4,-2.7 1,-0.2 3,-0.4 0.939 93.6 55.3 -51.6 -56.2 39.9 -47.0 16.0 5 7 A R H <> S+ 0 0 148 -3,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.810 111.0 46.4 -50.6 -33.5 42.6 -47.4 18.8 6 8 A F H X S+ 0 0 60 -4,-1.4 4,-1.4 -5,-0.3 3,-0.8 0.954 108.8 47.6 -63.0 -52.0 40.3 -48.2 24.4 10 12 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.890 102.0 64.7 -59.2 -42.3 37.0 -46.8 25.6 11 13 A L H 3X S+ 0 0 28 -4,-2.3 4,-2.9 1,-0.3 -1,-0.3 0.850 101.3 51.2 -49.7 -39.2 35.3 -50.1 25.2 12 14 A V H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-1.1 0.954 112.1 50.5 -52.9 -54.7 32.9 -49.2 29.6 15 17 A W H ><5S+ 0 0 109 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.850 110.3 51.7 -56.3 -33.0 33.2 -52.9 30.0 16 18 A K H 3<5S+ 0 0 148 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.770 106.1 54.0 -74.3 -25.5 35.0 -52.2 33.3 17 19 A A T <<5S- 0 0 36 -4,-1.5 -1,-0.2 -3,-1.1 -2,-0.2 0.348 130.1 -93.7 -90.0 4.1 32.2 -49.9 34.4 18 20 A G T < 5S+ 0 0 48 -3,-0.8 2,-0.7 -4,-0.4 -3,-0.2 0.526 80.5 138.1 100.7 9.4 29.6 -52.7 33.9 19 21 A F < - 0 0 1 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.786 50.7-143.4 -96.7 117.4 28.6 -51.9 30.3 20 22 A A E +A 40 0A 4 20,-1.7 20,-2.1 -2,-0.7 2,-0.3 -0.686 43.8 174.2 -64.5 114.5 28.1 -54.5 27.7 21 23 A A E -A 39 0A 4 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.909 19.0-177.6-131.9 158.5 29.4 -52.4 24.9 22 24 A I E -A 38 0A 5 16,-1.9 16,-1.7 -2,-0.3 2,-0.4 -0.958 27.7-113.0-147.5 162.6 30.2 -52.9 21.2 23 25 A R E -A 37 0A 59 127,-0.4 127,-3.2 -2,-0.3 2,-0.5 -0.834 35.7-119.7 -99.7 144.0 31.6 -51.1 18.1 24 26 A V B > -F 149 0B 6 12,-2.1 3,-0.6 -2,-0.4 125,-0.2 -0.718 25.9-147.3 -87.3 124.4 29.3 -50.4 15.3 25 27 A A T 3 S+ 0 0 24 123,-2.9 123,-0.4 -2,-0.5 125,-0.1 -0.491 81.3 26.1 -87.3 161.0 30.3 -52.0 11.9 26 28 A G T 3 S+ 0 0 26 -2,-0.2 -1,-0.2 121,-0.1 -2,-0.0 0.671 85.0 141.9 59.2 16.0 29.6 -50.4 8.5 27 29 A S < + 0 0 34 -3,-0.6 3,-0.3 3,-0.1 7,-0.2 0.914 63.7 38.2 -54.6 -55.0 29.7 -47.2 10.6 28 30 A G S S+ 0 0 69 1,-0.3 2,-1.7 8,-0.1 6,-0.1 0.949 126.1 29.4 -59.1 -94.1 31.5 -45.1 8.1 29 31 A V S S+ 0 0 143 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 -0.536 96.7 164.3 -69.8 88.7 30.1 -46.0 4.7 30 32 A S - 0 0 41 -2,-1.7 -3,-0.1 -3,-0.3 -4,-0.1 -0.816 52.0-142.4-118.5 150.8 26.7 -47.0 6.1 31 33 A P S S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.434 90.5 12.2 -80.8 -2.5 23.2 -47.7 4.8 32 34 A F S S- 0 0 84 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.887 104.3 -50.3-157.5-179.6 21.7 -46.0 7.9 33 35 A P + 0 0 29 0, 0.0 35,-0.0 0, 0.0 -6,-0.0 -0.541 60.0 171.2 -65.1 127.9 22.4 -43.9 11.0 34 36 A C - 0 0 23 -2,-0.3 34,-0.1 -7,-0.2 -4,-0.1 -0.887 19.2-163.5-152.4 115.3 25.3 -45.3 12.9 35 37 A P - 0 0 0 0, 0.0 14,-0.2 0, 0.0 -11,-0.1 -0.024 37.0-104.8 -75.2-173.4 27.4 -44.1 15.9 36 38 A D S S+ 0 0 14 12,-2.1 -12,-2.1 1,-0.3 2,-0.3 0.847 94.4 12.2 -87.9 -37.2 30.8 -45.4 17.0 37 39 A I E -AB 23 48A 0 11,-1.5 11,-2.0 -14,-0.2 2,-0.4 -0.984 56.2-161.3-144.8 148.9 29.7 -47.4 20.0 38 40 A V E +AB 22 47A 1 -16,-1.7 -16,-1.9 -2,-0.3 2,-0.3 -0.999 19.7 170.0-133.9 138.8 26.5 -48.8 21.6 39 41 A A E +AB 21 46A 0 7,-1.6 7,-3.3 -2,-0.4 2,-0.3 -0.983 14.5 179.3-149.5 155.1 26.2 -49.9 25.2 40 42 A G E -AB 20 45A 0 -20,-2.1 -20,-1.7 -2,-0.3 5,-0.2 -0.969 15.8-170.4-157.2 140.8 23.8 -51.0 27.9 41 43 A N - 0 0 41 3,-1.6 160,-0.2 -2,-0.3 159,-0.2 0.261 65.4 -93.0-113.6 8.6 24.1 -52.1 31.5 42 44 A G S S+ 0 0 38 158,-1.4 158,-0.1 2,-0.6 3,-0.1 0.047 124.1 48.5 101.6 -24.4 20.5 -53.2 31.9 43 45 A R S S+ 0 0 185 1,-0.3 2,-0.3 79,-0.0 157,-0.1 0.665 114.0 35.5-112.6 -32.5 19.4 -49.8 33.3 44 46 A T - 0 0 2 156,-0.1 -3,-1.6 81,-0.0 -2,-0.6 -0.935 60.7-158.9-128.7 146.9 21.0 -47.4 30.8 45 47 A Y E -B 40 0A 31 -2,-0.3 33,-2.7 -5,-0.2 2,-0.5 -0.993 12.6-157.2-128.4 135.0 21.6 -47.5 27.1 46 48 A L E -Bc 39 78A 0 -7,-3.3 -7,-1.6 -2,-0.4 2,-0.5 -0.937 17.5-169.2-124.1 121.3 24.1 -45.3 25.3 47 49 A A E -Bc 38 79A 0 31,-1.2 33,-2.2 -2,-0.5 2,-0.4 -0.912 32.3-169.9 -92.7 129.6 24.5 -44.1 21.7 48 50 A I E -Bc 37 80A 0 -11,-2.0 -12,-2.1 -2,-0.5 -11,-1.5 -0.976 29.3-161.6-132.2 135.9 28.0 -42.7 21.5 49 51 A E E - c 0 81A 24 31,-2.8 33,-2.1 -2,-0.4 2,-0.3 -0.972 26.3-147.8-109.2 120.4 30.1 -40.7 19.1 50 52 A V E + c 0 82A 12 -2,-0.5 2,-0.3 31,-0.2 33,-0.2 -0.698 20.0 175.1 -94.7 138.2 33.8 -41.0 20.0 51 53 A K E - c 0 83A 31 31,-2.4 33,-2.0 -2,-0.3 2,-0.4 -0.998 14.9-165.8-143.3 136.1 36.3 -38.3 19.5 52 54 A M E + c 0 84A 63 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.988 15.1 176.4-120.7 129.6 40.0 -37.8 20.3 53 55 A R - 0 0 91 31,-2.1 3,-0.1 -2,-0.4 5,-0.1 -0.969 36.2-141.9-129.8 145.7 41.7 -34.4 20.2 54 56 A K S S- 0 0 161 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.866 92.0 -12.4 -61.6 -37.1 45.2 -33.2 21.0 55 57 A E S S- 0 0 129 2,-0.1 -1,-0.3 30,-0.1 -3,-0.0 -0.983 89.9 -50.8-163.0 156.3 43.4 -30.1 22.3 56 58 A L S S+ 0 0 20 -2,-0.3 52,-0.1 -3,-0.1 2,-0.1 -0.359 82.0 65.2 -72.4 160.2 40.1 -28.2 22.5 57 59 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 51,-0.2 0.560 56.4-166.8 -89.2 162.7 38.0 -27.1 20.9 58 60 A L E -G 107 0C 0 49,-2.3 49,-1.8 -2,-0.1 2,-0.4 -0.945 8.6-156.1-108.0 123.2 36.2 -30.1 19.3 59 61 A Y E -G 106 0C 135 -2,-0.5 2,-0.5 47,-0.2 47,-0.3 -0.802 3.7-161.7-101.7 141.8 33.8 -29.3 16.5 60 62 A L E -G 105 0C 2 45,-2.4 45,-1.7 -2,-0.4 5,-0.1 -0.963 24.2-118.0-127.4 115.5 30.9 -31.6 15.5 61 63 A S E > -G 104 0C 49 -2,-0.5 4,-2.0 43,-0.2 5,-0.2 -0.102 20.4-122.7 -51.8 142.4 29.2 -31.3 12.2 62 64 A A H > S+ 0 0 16 41,-0.9 4,-2.1 1,-0.2 3,-0.2 0.952 114.1 48.6 -47.6 -54.2 25.5 -30.4 12.2 63 65 A D H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.945 104.5 56.6 -50.8 -62.3 24.9 -33.6 10.3 64 66 A E H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 111.2 44.6 -36.8 -52.1 26.9 -35.9 12.4 65 67 A V H X S+ 0 0 15 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.884 109.1 54.8 -68.6 -41.5 24.9 -34.9 15.5 66 68 A E H X S+ 0 0 103 -4,-2.1 4,-3.4 -3,-0.3 5,-0.2 0.951 109.6 49.7 -51.7 -50.0 21.6 -35.1 13.7 67 69 A Q H X S+ 0 0 80 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.874 110.7 48.6 -59.7 -41.4 22.5 -38.7 12.8 68 70 A L H X S+ 0 0 6 -4,-1.9 4,-3.6 -5,-0.3 -1,-0.2 0.934 116.9 40.8 -65.9 -46.5 23.5 -39.6 16.4 69 71 A V H X S+ 0 0 42 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.912 112.1 55.6 -69.7 -42.3 20.3 -38.2 17.9 70 72 A T H X S+ 0 0 63 -4,-3.4 4,-1.9 -5,-0.3 -1,-0.2 0.928 116.2 39.2 -50.7 -47.4 18.2 -39.6 15.1 71 73 A F H X S+ 0 0 5 -4,-2.1 4,-3.0 -5,-0.2 5,-0.4 0.956 113.6 52.8 -68.7 -51.9 19.7 -43.0 15.9 72 74 A A H X>S+ 0 0 3 -4,-3.6 5,-2.2 1,-0.2 4,-2.1 0.906 110.8 49.2 -51.6 -45.8 19.6 -42.5 19.7 73 75 A R H <5S+ 0 0 179 -4,-3.3 -1,-0.2 3,-0.2 -2,-0.2 0.959 114.6 44.1 -57.4 -55.9 15.9 -41.6 19.5 74 76 A G H <5S+ 0 0 37 -4,-1.9 71,-0.2 -5,-0.3 -2,-0.2 0.931 116.7 43.6 -53.4 -54.3 15.1 -44.6 17.4 75 77 A F H <5S- 0 0 0 -4,-3.0 92,-2.0 91,-0.2 -1,-0.2 0.816 111.4-114.8 -67.5 -33.0 17.1 -47.2 19.3 76 78 A G T <5S+ 0 0 21 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.838 71.6 118.0 96.6 45.3 16.0 -46.0 22.7 77 79 A A < - 0 0 18 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.826 67.9 -96.8-134.2 173.1 19.3 -44.8 24.1 78 80 A E E -c 46 0A 78 -33,-2.7 -31,-1.2 -2,-0.3 2,-0.2 -0.850 37.9-125.9 -98.9 117.3 20.9 -41.5 25.3 79 81 A A E +c 47 0A 12 -2,-0.6 16,-1.2 -33,-0.2 2,-0.3 -0.419 39.4 173.1 -64.7 128.1 23.0 -39.7 22.7 80 82 A Y E -cD 48 94A 3 -33,-2.2 -31,-2.8 14,-0.2 2,-0.5 -0.975 29.9-146.9-139.2 150.4 26.6 -39.0 24.0 81 83 A V E -cD 49 93A 3 12,-2.7 12,-2.8 -2,-0.3 2,-0.6 -0.981 15.2-156.0-115.2 125.6 29.9 -37.7 22.9 82 84 A A E -cD 50 92A 0 -33,-2.1 -31,-2.4 -2,-0.5 2,-0.4 -0.908 13.0-164.0-101.2 123.0 33.0 -39.2 24.5 83 85 A L E -cD 51 91A 0 8,-2.8 8,-2.2 -2,-0.6 2,-0.5 -0.906 6.6-163.7-113.5 136.8 36.0 -36.9 24.3 84 86 A K E -c 52 0A 31 -33,-2.0 -31,-2.1 -2,-0.4 6,-0.1 -0.940 6.2-177.8-121.4 112.5 39.6 -37.9 24.9 85 87 A L > - 0 0 16 -2,-0.5 3,-1.2 4,-0.5 -31,-0.2 -0.936 39.0-111.3-104.6 133.7 42.4 -35.4 25.6 86 88 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.727 109.2 26.5 -23.0 -75.6 45.9 -36.9 26.0 87 89 A R T 3 S+ 0 0 211 -3,-0.1 2,-0.0 2,-0.0 -3,-0.0 0.712 115.1 72.7 -73.4 -21.3 46.7 -36.3 29.7 88 90 A K S < S- 0 0 78 -3,-1.2 2,-0.1 1,-0.1 3,-0.1 -0.182 82.3 -98.1 -94.2 180.0 43.1 -36.3 30.9 89 91 A K - 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