==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAY-07 2Z1E . COMPND 2 MOLECULE: HYDROGENASE EXPRESSION/FORMATION PROTEIN HYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR S.WATANABE,R.MATSUMI,T.ARAI,H.ATOMI,T.IMANAKA,K.MIKI . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 19.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 4 1 0 0 0 1 1 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 1 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 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 11 A A 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.6 -9.5 14.5 28.2 2 12 A G + 0 0 81 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.013 360.0 22.6 -56.0 163.4 -11.1 12.3 25.5 3 13 A G 0 0 80 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.160 360.0 360.0 75.0-169.9 -10.1 12.5 21.9 4 14 A E 0 0 247 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.600 360.0 360.0-103.9 360.0 -6.9 13.8 20.4 5 ! 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 6 41 A L 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.2 5.9 16.0 20.0 7 42 A D + 0 0 90 2,-0.1 16,-0.2 3,-0.0 3,-0.1 0.042 360.0 120.3 180.0 41.0 4.9 12.4 19.5 8 43 A D S S- 0 0 40 1,-0.3 2,-0.2 14,-0.1 178,-0.0 0.506 82.9 -54.8 -96.6 -7.7 7.6 10.4 21.3 9 44 A G - 0 0 32 13,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.446 49.9-114.5 139.8 147.2 5.5 8.6 23.9 10 45 A A E -A 21 0A 52 11,-3.0 11,-2.6 -2,-0.2 2,-0.4 -0.811 15.4-141.8-114.4 149.9 3.1 9.3 26.6 11 46 A T E -A 20 0A 77 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.883 13.1-170.4-110.5 141.2 3.2 8.9 30.4 12 47 A I E -A 19 0A 76 7,-2.9 7,-2.8 -2,-0.4 2,-0.1 -0.977 22.8-128.1-132.7 117.8 0.3 7.8 32.5 13 48 A P E -A 18 0A 95 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.422 25.1-174.1 -64.6 137.4 0.3 7.8 36.3 14 49 A F E > -A 17 0A 142 3,-3.7 3,-2.0 1,-0.1 2,-0.4 -0.780 55.8 -67.3-137.3 90.4 -0.7 4.5 37.7 15 50 A G T 3 S- 0 0 81 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.512 118.9 -13.6 65.0-121.5 -1.1 4.5 41.5 16 51 A D T 3 S+ 0 0 164 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.679 131.8 60.2 -86.2 -18.6 2.5 5.1 42.7 17 52 A K E < S-A 14 0A 109 -3,-2.0 -3,-3.7 102,-0.0 2,-0.5 -0.463 75.6-117.8-107.7 179.9 4.2 4.3 39.4 18 53 A H E -AB 13 117A 62 99,-0.6 99,-2.3 -5,-0.2 2,-0.4 -0.967 14.2-157.0-124.1 124.5 4.3 5.6 35.8 19 54 A I E -AB 12 116A 43 -7,-2.8 -7,-2.9 -2,-0.5 2,-0.4 -0.799 10.6-153.9 -96.4 134.5 3.3 3.7 32.7 20 55 A V E -AB 11 115A 2 95,-2.9 95,-2.3 -2,-0.4 2,-0.4 -0.937 10.8-169.4-111.8 136.8 4.9 4.8 29.5 21 56 A F E +AB 10 114A 103 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.3 -0.993 11.3 164.9-130.5 127.2 3.0 4.1 26.2 22 57 A T E - B 0 113A 7 91,-2.2 91,-2.6 -2,-0.4 2,-0.3 -0.959 14.2-170.8-142.4 157.0 4.3 4.6 22.7 23 58 A I E + B 0 112A 113 -2,-0.3 2,-0.3 89,-0.2 89,-0.2 -0.994 6.6 175.2-145.3 146.6 3.5 3.6 19.1 24 59 A D E - B 0 111A 63 87,-2.0 87,-2.2 -2,-0.3 2,-0.3 -0.953 19.1-141.9-153.7 138.0 5.4 3.9 15.8 25 60 A G E - B 0 110A 41 -2,-0.3 2,-0.4 85,-0.2 85,-0.2 -0.722 13.7-151.5 -97.9 151.2 4.7 2.7 12.3 26 61 A H E + B 0 109A 10 83,-1.8 83,-1.9 -2,-0.3 16,-0.0 -0.990 26.7 160.2-129.8 125.9 7.5 1.5 10.0 27 62 A T + 0 0 98 -2,-0.4 -1,-0.1 81,-0.2 80,-0.1 0.041 20.8 157.2-129.9 20.3 7.4 1.7 6.2 28 63 A V - 0 0 25 3,-0.1 79,-0.2 10,-0.1 10,-0.1 -0.183 34.7-130.0 -54.1 137.0 11.1 1.3 5.4 29 64 A K S S+ 0 0 66 2,-0.1 2,-0.2 77,-0.1 -2,-0.0 -0.989 88.7 37.3-140.9 127.0 11.7 0.1 1.8 30 65 A P S S- 0 0 69 0, 0.0 -1,-0.0 0, 0.0 119,-0.0 0.581 85.6-139.1 -69.4 166.9 13.5 -2.1 1.1 31 66 A L S S+ 0 0 10 -2,-0.2 7,-2.4 6,-0.1 2,-0.4 0.705 87.4 49.6 -68.6 -24.8 12.6 -4.3 4.0 32 67 A F E +E 37 0B 89 5,-0.2 5,-0.3 6,-0.1 46,-0.0 -0.950 69.0 167.0-119.1 140.0 16.1 -5.4 4.6 33 68 A F E > -E 36 0B 19 3,-2.4 3,-2.6 -2,-0.4 2,-0.2 -0.916 49.5 -62.5-145.0 167.6 19.0 -3.1 4.7 34 69 A P T 3 S+ 0 0 13 0, 0.0 126,-3.3 0, 0.0 3,-0.1 -0.372 124.3 8.6 -58.7 118.9 22.7 -3.1 5.8 35 70 A G T 3 S- 0 0 34 124,-0.2 2,-0.3 -2,-0.2 124,-0.1 0.382 131.8 -4.4 93.5 -4.4 22.7 -4.0 9.4 36 71 A G E < -E 33 0B 13 -3,-2.6 -3,-2.4 125,-0.0 2,-0.3 -0.956 58.3-119.4 178.7-160.1 19.1 -4.8 9.9 37 72 A D E > -E 32 0B 13 -2,-0.3 4,-2.5 -5,-0.3 -5,-0.2 -0.956 46.4 -83.4-163.5 171.0 15.5 -5.1 8.6 38 73 A I H > S+ 0 0 0 -7,-2.4 4,-2.3 -2,-0.3 5,-0.1 0.779 123.5 55.2 -57.1 -28.8 12.0 -3.7 9.3 39 74 A G H > S+ 0 0 0 -8,-0.2 4,-2.1 2,-0.2 5,-0.2 0.947 110.5 42.3 -71.2 -50.0 11.5 -6.3 12.1 40 75 A R H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 115.3 53.3 -62.1 -35.7 14.6 -5.3 14.1 41 76 A L H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.925 106.5 51.3 -66.1 -42.6 13.7 -1.7 13.4 42 77 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 5,-0.2 0.947 116.0 39.9 -63.6 -45.8 10.2 -2.0 14.7 43 78 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.943 117.1 48.7 -68.7 -44.9 11.3 -3.6 18.0 44 79 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 121,-0.3 0.916 109.3 51.7 -63.4 -45.0 14.4 -1.4 18.5 45 80 A G H X S+ 0 0 1 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.907 112.5 45.0 -60.2 -42.0 12.6 1.9 17.8 46 81 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.924 113.8 48.9 -67.5 -46.2 9.8 1.1 20.4 47 82 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.913 112.6 49.0 -58.6 -41.6 12.2 -0.1 23.0 48 83 A N H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.867 107.6 53.8 -69.1 -34.0 14.4 3.0 22.5 49 84 A D H < S+ 0 0 13 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.855 112.8 44.2 -68.2 -32.5 11.4 5.3 22.7 50 85 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 3,-1.8 0.916 109.7 56.7 -74.0 -42.2 10.5 3.7 26.1 51 86 A A H ><5S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.871 100.5 56.3 -58.2 -39.7 14.1 3.8 27.3 52 87 A V T 3<5S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.3 132,-0.2 0.577 103.4 55.1 -73.3 -7.2 14.6 7.5 26.8 53 88 A M T < 5S- 0 0 31 -3,-1.8 68,-1.4 -4,-0.2 -1,-0.3 0.239 124.1-105.7-102.0 9.6 11.6 8.1 29.1 54 89 A G T < 5S+ 0 0 2 -3,-2.0 2,-0.5 1,-0.2 64,-0.4 0.589 74.3 145.0 78.6 14.0 13.3 6.0 31.8 55 90 A A < - 0 0 0 -5,-2.2 62,-0.3 62,-0.2 -1,-0.2 -0.732 49.1-139.6 -97.7 126.0 11.0 3.1 31.2 56 91 A E E -C 116 0A 97 60,-2.4 60,-1.9 -2,-0.5 2,-0.2 -0.618 37.6-112.6 -71.6 126.3 11.9 -0.5 31.4 57 92 A P E +C 115 0A 5 0, 0.0 58,-0.3 0, 0.0 3,-0.1 -0.458 42.0 171.1 -65.3 132.6 10.1 -2.2 28.5 58 93 A I E - 0 0 75 56,-3.0 2,-0.3 1,-0.4 57,-0.2 0.694 60.0 -3.0-111.0 -33.8 7.4 -4.6 29.8 59 94 A A E -C 114 0A 19 55,-1.7 55,-2.5 32,-0.1 -1,-0.4 -0.975 51.8-153.7-163.0 147.5 5.5 -5.6 26.6 60 95 A L E -Cd 113 93A 3 32,-2.3 34,-1.8 -2,-0.3 35,-0.9 -0.918 7.2-158.3-122.1 151.5 5.3 -5.0 22.9 61 96 A A E -Cd 112 95A 29 51,-2.5 51,-2.5 -2,-0.3 2,-0.5 -0.995 13.4-154.1-128.2 134.2 2.3 -5.3 20.6 62 97 A N E -Cd 111 96A 19 33,-2.1 35,-2.4 -2,-0.4 2,-0.5 -0.936 13.0-173.2-122.4 128.6 2.8 -5.9 16.9 63 98 A S E -Cd 110 97A 34 47,-3.4 47,-3.2 -2,-0.5 2,-0.4 -0.952 10.9-169.6-113.0 129.0 0.5 -5.0 13.9 64 99 A M E -Cd 109 98A 4 33,-2.6 35,-2.4 -2,-0.5 2,-0.5 -0.966 9.6-168.3-120.0 137.0 1.6 -6.2 10.5 65 100 A I E -Cd 108 99A 52 43,-2.3 43,-2.5 -2,-0.4 2,-0.4 -0.981 19.2-176.6-122.2 116.3 -0.0 -5.2 7.2 66 101 A I E -Cd 107 100A 19 33,-2.9 35,-2.6 -2,-0.5 41,-0.2 -0.900 24.6-120.9-121.8 147.0 1.2 -7.3 4.3 67 102 A G E > - 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