==== 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 17-MAR-09 2WCW . COMPND 2 MOLECULE: HJC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.CAROLIS,C.KOEHLER,C.SAUTER,J.BASQUIN,D.SUCK,I.TOEROE . 494 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 20.6 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 . 8 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 . 24 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 3 1 0 0 0 0 0 0 1 5 2 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 4 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 . 6 4 2 14 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 4 0 0 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 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 4 A K > 0 0 194 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.2 -0.1 0.9 14.4 2 5 A G H > + 0 0 32 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.926 360.0 46.7 -59.7 -49.2 -1.9 -1.9 12.7 3 6 A T H > S+ 0 0 86 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.844 111.0 55.0 -63.9 -30.9 0.9 -2.7 10.2 4 7 A R H > S+ 0 0 132 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.905 112.0 43.4 -63.8 -39.6 3.2 -2.5 13.1 5 8 A F H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.826 114.8 47.9 -75.3 -33.5 1.0 -5.1 14.8 6 9 A E H X S+ 0 0 40 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.887 116.1 43.6 -76.5 -38.5 0.7 -7.2 11.6 7 10 A R H X S+ 0 0 118 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.849 109.7 60.4 -65.0 -34.5 4.4 -7.0 11.1 8 11 A D H X S+ 0 0 59 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.937 106.2 45.0 -56.7 -46.7 4.5 -7.7 14.8 9 12 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 109.5 54.7 -66.9 -41.9 2.7 -11.0 14.2 10 13 A L H X S+ 0 0 22 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.929 108.0 50.4 -56.1 -43.8 5.0 -11.8 11.2 11 14 A V H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.915 109.6 50.3 -62.2 -43.8 8.0 -11.4 13.5 12 15 A E H X S+ 0 0 74 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.874 109.0 52.6 -59.9 -39.9 6.5 -13.7 16.1 13 16 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.3 0.933 109.7 47.5 -64.3 -44.7 5.8 -16.3 13.5 14 17 A W H ><5S+ 0 0 58 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.920 109.2 53.9 -63.2 -40.7 9.4 -16.3 12.3 15 18 A K H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 105.8 55.8 -61.6 -28.3 10.6 -16.5 15.9 16 19 A A T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.324 129.2 -95.2 -87.4 5.5 8.4 -19.6 16.2 17 20 A G T < 5S+ 0 0 50 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.486 83.7 126.4 97.6 2.5 10.1 -21.3 13.3 18 21 A F < - 0 0 3 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.630 56.8-137.9 -89.6 149.4 7.7 -20.3 10.5 19 22 A A E +A 39 0A 1 20,-2.9 20,-2.2 -2,-0.2 2,-0.3 -0.964 41.7 179.1 -94.8 121.4 8.6 -18.7 7.2 20 23 A A E -A 38 0A 4 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.936 19.5-171.5-133.3 151.9 5.7 -16.2 6.9 21 24 A I E -A 37 0A 3 16,-2.5 16,-2.2 -2,-0.3 2,-0.4 -0.979 23.8-124.8-138.6 148.7 4.6 -13.4 4.6 22 25 A R E -A 36 0A 38 130,-0.4 130,-2.9 -2,-0.3 2,-0.4 -0.751 35.7-119.5 -85.3 141.4 1.9 -10.7 4.5 23 26 A V B > -F 151 0B 11 12,-2.6 3,-0.9 -2,-0.4 2,-0.3 -0.701 21.8-127.9 -86.8 130.8 -0.4 -10.9 1.5 24 27 A A T 3 S+ 0 0 17 126,-3.0 126,-0.4 -2,-0.4 -1,-0.0 -0.559 87.8 1.5 -78.2 137.7 -0.5 -7.9 -0.8 25 28 A G T 3 S+ 0 0 46 -2,-0.3 4,-0.3 1,-0.1 -1,-0.2 0.849 75.0 164.7 57.1 38.2 -3.9 -6.5 -1.6 26 29 A A S < S+ 0 0 20 -3,-0.9 7,-0.2 1,-0.2 -1,-0.1 0.596 74.5 43.4 -63.3 -8.8 -5.6 -9.0 0.7 27 30 A G S S+ 0 0 71 1,-0.1 -1,-0.2 8,-0.1 6,-0.1 0.869 115.3 39.5 -98.6 -56.0 -8.6 -6.7 0.5 28 31 A V S S+ 0 0 145 2,-0.0 -2,-0.2 0, 0.0 -1,-0.1 0.003 88.5 126.3 -89.9 30.2 -9.1 -5.6 -3.1 29 32 A S - 0 0 39 -4,-0.3 4,-0.1 2,-0.1 -4,-0.0 -0.705 57.4-146.0 -93.4 141.4 -8.1 -9.1 -4.5 30 33 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.681 82.9 66.7 -71.2 -21.1 -10.4 -11.0 -6.9 31 34 A F S S- 0 0 44 1,-0.1 2,-0.1 117,-0.1 -2,-0.1 -0.667 99.2 -92.5-102.8 156.9 -9.2 -14.3 -5.4 32 35 A P + 0 0 31 0, 0.0 -1,-0.1 0, 0.0 35,-0.1 -0.455 59.4 163.7 -60.8 136.1 -9.8 -15.8 -1.9 33 36 A C - 0 0 3 -7,-0.2 34,-0.1 -2,-0.1 -4,-0.1 -0.976 31.6-140.2-160.6 144.4 -6.9 -14.8 0.3 34 37 A P - 0 0 0 0, 0.0 14,-0.2 0, 0.0 3,-0.1 -0.185 30.2-114.1 -86.1-176.6 -5.9 -14.5 3.9 35 38 A D S S+ 0 0 29 12,-2.2 -12,-2.6 1,-0.3 2,-0.3 0.783 96.7 19.5 -88.5 -36.3 -3.9 -11.7 5.5 36 39 A I E -AB 22 47A 0 11,-1.9 11,-2.9 -14,-0.2 2,-0.4 -0.993 61.7-161.2-135.7 143.3 -0.8 -13.9 6.3 37 40 A V E +AB 21 46A 0 -16,-2.2 -16,-2.5 -2,-0.3 2,-0.3 -0.987 18.7 175.3-121.4 133.9 0.5 -17.2 5.0 38 41 A A E +AB 20 45A 0 7,-2.2 7,-3.2 -2,-0.4 2,-0.3 -0.987 6.8 170.9-138.7 151.4 3.0 -19.2 7.0 39 42 A G E -AB 19 44A 0 -20,-2.2 -20,-2.9 -2,-0.3 5,-0.2 -0.992 23.3-174.4-155.6 153.1 4.8 -22.5 6.8 40 43 A N - 0 0 18 3,-1.6 159,-0.2 -2,-0.3 158,-0.2 0.170 67.1 -91.0-129.7 15.8 7.5 -24.5 8.4 41 44 A G S S+ 0 0 33 157,-1.5 3,-0.1 2,-0.3 158,-0.1 0.182 123.3 40.9 94.2 -17.2 7.6 -27.6 6.1 42 45 A R S S+ 0 0 123 1,-0.4 2,-0.4 156,-0.0 -1,-0.1 0.610 113.4 43.9-123.8 -47.2 5.1 -29.5 8.2 43 46 A T - 0 0 2 33,-0.0 -3,-1.6 2,-0.0 2,-0.4 -0.910 64.1-169.4-109.0 131.6 2.4 -27.0 9.3 44 47 A Y E -B 39 0A 22 -2,-0.4 33,-2.8 -5,-0.2 2,-0.4 -0.984 7.3-162.4-123.0 133.5 1.0 -24.5 6.8 45 48 A L E -Bc 38 77A 0 -7,-3.2 -7,-2.2 -2,-0.4 2,-0.5 -0.947 18.9-167.3-122.6 136.9 -1.2 -21.6 8.0 46 49 A A E -Bc 37 78A 0 31,-2.7 33,-2.5 -2,-0.4 2,-0.5 -0.993 29.5-167.5-116.2 116.8 -3.7 -19.3 6.3 47 50 A I E -Bc 36 79A 0 -11,-2.9 -12,-2.2 -2,-0.5 -11,-1.9 -0.926 24.6-158.2-122.4 124.4 -4.4 -16.5 8.8 48 51 A E E - c 0 80A 14 31,-2.5 33,-2.9 -2,-0.5 2,-0.5 -0.887 27.7-144.0 -93.4 128.2 -7.0 -13.7 9.0 49 52 A V E + c 0 81A 10 -2,-0.5 2,-0.4 31,-0.2 33,-0.2 -0.862 23.0 174.3-108.1 124.8 -5.6 -11.1 11.3 50 53 A K E - c 0 82A 32 31,-2.7 33,-2.3 -2,-0.5 2,-0.4 -0.982 14.5-167.8-132.5 139.9 -7.7 -9.0 13.6 51 54 A M E + c 0 83A 60 -2,-0.4 2,-0.3 31,-0.2 33,-0.2 -0.995 13.7 176.4-123.9 129.3 -7.0 -6.5 16.3 52 55 A R - 0 0 80 31,-2.5 3,-0.1 -2,-0.4 5,-0.1 -0.982 34.2-141.0-131.0 148.1 -9.8 -5.4 18.8 53 56 A K S S- 0 0 82 420,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.740 91.1 -7.1 -72.2 -24.8 -9.7 -3.0 21.8 54 57 A E S S- 0 0 88 2,-0.1 -1,-0.2 419,-0.1 419,-0.2 -0.964 94.3 -50.3-160.9 159.6 -12.0 -5.4 23.6 55 58 A L S S+ 0 0 20 -2,-0.3 52,-0.1 -3,-0.1 2,-0.1 -0.445 82.6 64.3 -71.8 157.9 -14.0 -8.5 23.0 56 59 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 51,-0.2 0.539 55.2-158.4 -90.1 164.4 -16.0 -9.7 21.2 57 60 A L E -G 106 0C 0 49,-2.4 49,-2.4 -2,-0.1 2,-0.4 -0.892 9.2-166.3 -93.8 126.8 -14.6 -10.2 17.7 58 61 A Y E -G 105 0C 31 -2,-0.5 2,-0.3 47,-0.2 47,-0.2 -0.959 6.2-177.5-109.5 138.3 -17.2 -10.4 14.9 59 62 A L E -G 104 0C 3 45,-2.6 45,-2.7 -2,-0.4 2,-0.1 -0.954 27.7-111.4-127.3 150.0 -16.3 -11.7 11.4 60 63 A S E > -G 103 0C 25 -2,-0.3 4,-1.8 43,-0.2 5,-0.2 -0.362 21.6-120.1 -78.0 158.6 -18.6 -11.9 8.4 61 64 A A H > S+ 0 0 21 41,-0.7 4,-2.7 1,-0.2 5,-0.2 0.902 114.6 54.5 -60.6 -39.1 -19.6 -15.2 6.9 62 65 A D H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 105.2 50.9 -64.6 -41.7 -18.0 -14.2 3.7 63 66 A E H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 114.4 43.8 -64.6 -42.8 -14.6 -13.4 5.2 64 67 A V H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.923 113.0 51.1 -69.2 -41.8 -14.5 -16.8 6.9 65 68 A E H X S+ 0 0 107 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.901 110.4 49.8 -61.9 -40.9 -15.8 -18.7 3.8 66 69 A Q H X S+ 0 0 53 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.894 110.2 51.0 -65.3 -41.9 -13.1 -17.0 1.7 67 70 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.930 111.8 46.6 -58.7 -48.0 -10.4 -18.0 4.3 68 71 A V H X S+ 0 0 51 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.891 111.3 51.6 -64.2 -41.8 -11.5 -21.6 4.3 69 72 A T H X S+ 0 0 57 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.927 111.9 46.7 -61.1 -45.1 -11.7 -21.8 0.5 70 73 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.947 112.5 49.8 -60.8 -47.5 -8.2 -20.4 0.2 71 74 A A H X>S+ 0 0 5 -4,-2.6 5,-2.3 1,-0.2 4,-2.3 0.878 110.8 49.3 -62.8 -39.6 -6.9 -22.8 2.9 72 75 A R H <5S+ 0 0 170 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.906 115.0 44.2 -66.3 -42.2 -8.4 -25.8 1.2 73 76 A G H <5S+ 0 0 30 -4,-2.2 74,-0.4 -5,-0.2 -2,-0.2 0.890 119.0 42.3 -68.5 -38.3 -7.0 -24.8 -2.2 74 77 A F H <5S- 0 0 0 -4,-2.8 91,-1.8 -5,-0.2 -2,-0.2 0.857 110.3-113.0 -76.9 -36.3 -3.5 -24.0 -0.8 75 78 A G T <5S+ 0 0 21 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.821 72.5 121.8 91.9 56.1 -3.1 -26.9 1.6 76 79 A A < - 0 0 19 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.921 65.1-104.7-141.5 167.2 -3.1 -24.9 4.9 77 80 A E E -c 45 0A 74 -33,-2.8 -31,-2.7 -2,-0.3 2,-0.5 -0.814 36.5-125.9 -96.0 133.8 -5.0 -24.7 8.1 78 81 A A E +c 46 0A 13 -2,-0.4 16,-1.8 -33,-0.2 2,-0.3 -0.691 38.3 169.1 -86.8 125.4 -7.4 -21.8 8.4 79 82 A Y E -cD 47 93A 0 -33,-2.5 -31,-2.5 -2,-0.5 2,-0.5 -0.965 31.9-143.8-136.6 147.4 -6.9 -19.6 11.5 80 83 A V E -cD 48 92A 0 12,-2.5 12,-2.8 -2,-0.3 2,-0.5 -0.967 17.8-157.2-105.1 126.7 -8.0 -16.3 12.9 81 84 A A E -cD 49 91A 0 -33,-2.9 -31,-2.7 -2,-0.5 2,-0.4 -0.939 13.9-170.4-103.3 125.3 -5.3 -14.5 14.8 82 85 A L E -cD 50 90A 0 8,-2.8 8,-1.8 -2,-0.5 2,-0.4 -0.972 8.3-165.1-122.7 129.5 -6.7 -12.0 17.3 83 86 A K E -c 51 0A 25 -33,-2.3 -31,-2.5 -2,-0.4 6,-0.1 -0.957 1.6-170.2-114.6 131.3 -4.9 -9.4 19.4 84 87 A L > - 0 0 24 -2,-0.4 3,-0.6 4,-0.3 -31,-0.2 -0.770 42.3 -97.8-107.9 161.9 -6.3 -7.5 22.4 85 88 A P T 3 S+ 0 0 84 0, 0.0 -32,-0.1 0, 0.0 -31,-0.1 0.830 118.7 26.1 -55.7 -42.3 -4.4 -4.6 23.9 86 89 A R T 3 S+ 0 0 249 2,-0.1 2,-0.2 -3,-0.0 -3,-0.0 0.575 109.6 88.9 -96.2 -9.5 -2.6 -6.3 26.8 87 90 A A S < S- 0 0 34 -3,-0.6 2,-0.1 1,-0.1 3,-0.1 -0.484 73.2-119.0 -97.8 156.3 -2.5 -9.8 25.2 88 91 A A - 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0 0 38 3,-2.7 5,-0.0 -2,-0.4 0, 0.0 -0.541 53.5 -86.0-102.8-172.6 -24.5 -16.4 15.0 101 104 A E S S+ 0 0 178 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.859 122.8 5.9 -63.0 -28.9 -27.3 -16.5 12.5 102 105 A K S S+ 0 0 48 385,-0.1 -41,-0.7 391,-0.0 2,-0.2 0.626 127.7 34.7-126.6 -28.4 -25.3 -14.5 10.0 103 106 A N E S-G 60 0C 4 -43,-0.2 -3,-2.7 -42,-0.1 2,-0.3 -0.512 70.3-112.3-123.8-176.1 -21.7 -14.0 11.3 104 107 A F E -GH 59 99C 20 -45,-2.7 -45,-2.6 -5,-0.2 2,-0.3 -0.915 34.0-169.4-120.1 154.2 -19.0 -15.7 13.3 105 108 A K E -GH 58 98C 46 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.5 -0.994 25.2-157.2-146.8 146.5 -17.8 -14.5 16.7 106 109 A I E +G 57 0C 0 -49,-2.4 -49,-2.4 -2,-0.3 2,-0.1 -0.961 32.3 165.5-117.5 110.5 -15.2 -14.9 19.4 107 110 A D >> - 0 0 32 -2,-0.5 4,-2.9 -51,-0.2 3,-1.4 -0.421 54.4 -75.8-111.6-168.2 -16.4 -13.8 22.8 108 111 A E T 34 S+ 0 0 116 1,-0.3 -53,-0.0 2,-0.2 -2,-0.0 0.692 125.9 58.4 -66.7 -20.2 -15.2 -14.3 26.4 109 112 A S T 34 S+ 0 0 75 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.742 118.0 30.7 -80.5 -21.6 -16.4 -17.8 26.6 110 113 A V T X4 S+ 0 0 8 -3,-1.4 3,-2.2 2,-0.1 4,-0.4 0.759 100.7 77.2-105.3 -33.4 -14.2 -18.8 23.6 111 114 A Y G >< S+ 0 0 36 -4,-2.9 3,-1.8 1,-0.3 -3,-0.1 0.850 89.9 57.9 -50.6 -40.4 -11.3 -16.5 23.8 112 115 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.719 99.3 60.9 -66.3 -17.3 -9.6 -18.5 26.7 113 116 A L G < S+ 0 0 109 -3,-2.2 -2,-0.2 -17,-0.1 -3,-0.1 0.520 81.5 116.3 -82.9 -8.1 -9.6 -21.6 24.4 114 117 A G < - 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