==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-JUN-09 3A44 . COMPND 2 MOLECULE: HYDROGENASE NICKEL INCORPORATION PROTEIN HYPA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS KODAKARAENSIS; . AUTHOR S.WATANABE,T.ARAI,R.MATSUMI,H.ATOMI,T.IMANAKA,K.MIKI . 518 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 43 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 0 0 0 2 0 1 4 0 0 2 0 2 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 . 0 1 6 1 0 0 1 2 1 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 8 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 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 2 A H > 0 0 127 0, 0.0 4,-0.7 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -9.2 -51.7 12.6 21.5 2 3 A E H >> + 0 0 10 2,-0.2 4,-4.0 3,-0.1 5,-0.5 0.831 360.0 76.5-102.0 -44.3 -49.3 10.6 19.3 3 4 A W H 45S+ 0 0 84 1,-0.2 -1,-0.1 2,-0.2 4,-0.1 0.721 110.7 38.2 -40.6 -22.1 -51.4 9.4 16.4 4 5 A A H >>5S+ 0 0 64 2,-0.2 4,-2.4 3,-0.1 3,-1.4 0.865 113.2 51.8 -94.1 -54.9 -51.0 13.0 15.3 5 6 A L H 3X5S+ 0 0 55 -4,-0.7 4,-1.3 1,-0.3 -2,-0.2 0.888 112.8 48.8 -49.0 -41.5 -47.4 13.6 16.3 6 7 A A H 3X5S+ 0 0 0 -4,-4.0 4,-2.3 1,-0.2 -1,-0.3 0.730 109.5 54.1 -72.0 -22.4 -46.6 10.4 14.4 7 8 A D H <>X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-1.2 0.996 117.1 42.5 -62.7 -68.4 -40.2 11.8 6.2 14 15 A L H 3X S+ 0 0 42 -4,-2.5 4,-0.5 1,-0.3 -1,-0.2 0.685 112.8 57.4 -54.8 -17.6 -42.2 10.3 3.3 15 16 A D H 3X S+ 0 0 75 -4,-0.9 4,-2.0 -5,-0.3 -1,-0.3 0.860 103.4 53.1 -78.9 -36.4 -42.3 13.8 1.9 16 17 A Y H << S+ 0 0 81 -4,-1.6 -2,-0.2 -3,-1.2 -1,-0.2 0.797 106.4 51.2 -66.7 -31.9 -38.5 13.9 2.0 17 18 A A H X>S+ 0 0 4 -4,-1.4 5,-1.8 2,-0.2 4,-0.9 0.716 108.6 55.5 -77.8 -20.7 -38.2 10.7 0.0 18 19 A Q H ><5S+ 0 0 150 -4,-0.5 3,-0.5 -5,-0.3 -2,-0.2 0.948 108.9 42.1 -75.6 -52.0 -40.5 12.2 -2.6 19 20 A R T 3<5S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.335 120.9 47.9 -77.6 8.9 -38.5 15.3 -3.3 20 21 A E T 345S- 0 0 65 -3,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.518 98.9-130.8-121.9 -16.6 -35.4 13.1 -3.3 21 22 A G T <<5 + 0 0 55 -4,-0.9 250,-0.4 -3,-0.5 2,-0.2 0.946 45.2 171.3 61.9 46.2 -36.4 10.2 -5.4 22 23 A A < - 0 0 16 -5,-1.8 248,-0.3 248,-0.1 -1,-0.2 -0.538 35.8-149.4 -87.0 156.6 -35.2 7.7 -2.8 23 24 A S S S+ 0 0 69 246,-3.3 2,-0.3 1,-0.3 247,-0.2 0.651 78.1 4.8 -97.7 -20.3 -35.9 4.0 -3.1 24 25 A R E -A 269 0A 113 245,-1.0 245,-1.7 32,-0.1 2,-0.6 -0.957 61.0-127.2-166.9 144.6 -36.0 3.4 0.6 25 26 A V E -A 268 0A 3 30,-1.9 243,-0.3 -2,-0.3 3,-0.1 -0.849 25.7-178.5 -94.5 122.2 -35.9 5.1 4.0 26 27 A K E - 0 0 99 241,-3.2 34,-1.6 -2,-0.6 2,-0.3 0.940 58.3 -6.7 -87.2 -58.3 -33.3 3.5 6.2 27 28 A A E -Ab 267 60A 12 240,-1.2 240,-2.2 32,-0.3 2,-0.4 -0.957 52.8-150.1-141.2 159.5 -33.4 5.2 9.6 28 29 A V E -Ab 266 61A 1 32,-2.7 34,-1.1 -2,-0.3 2,-0.6 -0.976 5.1-159.1-136.0 122.3 -35.1 8.2 11.3 29 30 A R E -Ab 265 62A 89 236,-2.8 236,-1.1 -2,-0.4 235,-0.5 -0.887 14.1-173.1-104.0 116.2 -33.8 10.3 14.1 30 31 A V E - b 0 63A 1 32,-2.6 34,-3.6 -2,-0.6 2,-0.6 -0.929 12.2-150.9-113.5 129.0 -36.4 12.2 16.1 31 32 A V E -Ab 262 64A 14 231,-1.3 231,-1.0 -2,-0.5 2,-0.3 -0.873 17.6-176.0-102.1 120.6 -35.6 14.7 18.8 32 33 A L E -Ab 261 65A 10 32,-3.2 34,-3.4 -2,-0.6 2,-0.3 -0.862 24.4-116.0-115.1 150.5 -38.2 15.1 21.6 33 34 A G E > - b 0 66A 4 227,-1.1 3,-2.2 -2,-0.3 34,-0.2 -0.639 13.1-134.0 -88.0 141.5 -38.3 17.5 24.5 34 35 A E T 3 S+ 0 0 73 32,-1.3 225,-0.1 -2,-0.3 -1,-0.1 0.595 108.1 61.5 -66.7 -9.8 -38.0 16.3 28.1 35 36 A L T 3 S+ 0 0 63 223,-0.5 2,-0.7 31,-0.3 -1,-0.3 0.468 84.9 93.5 -93.6 -3.1 -40.9 18.6 28.9 36 37 A Q < - 0 0 72 -3,-2.2 2,-1.3 222,-0.3 224,-0.0 -0.820 67.2-153.0 -93.4 113.2 -43.1 16.7 26.4 37 38 A D + 0 0 161 -2,-0.7 2,-0.3 2,-0.0 -3,-0.1 -0.728 43.5 134.1 -90.2 93.2 -45.1 14.0 28.2 38 39 A V - 0 0 39 -2,-1.3 2,-0.7 -36,-0.0 3,-0.1 -0.988 62.0-112.3-138.0 142.3 -45.5 11.5 25.4 39 40 A A > - 0 0 49 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 -0.688 25.8-156.9 -77.8 116.5 -45.1 7.7 25.5 40 41 A E H > S+ 0 0 93 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.881 88.3 54.7 -62.4 -41.3 -42.1 7.1 23.2 41 42 A D H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.797 105.7 53.8 -65.3 -28.3 -42.9 3.5 22.4 42 43 A I H > S+ 0 0 92 -3,-0.4 4,-3.6 2,-0.2 5,-0.3 0.981 107.0 49.4 -67.6 -56.8 -46.4 4.5 21.2 43 44 A V H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.850 113.6 47.9 -49.3 -40.2 -45.1 7.1 18.7 44 45 A K H X S+ 0 0 22 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.952 112.3 48.5 -66.3 -49.1 -42.7 4.5 17.4 45 46 A F H X S+ 0 0 135 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.914 114.0 46.8 -55.5 -45.9 -45.5 1.9 17.2 46 47 A A H X S+ 0 0 18 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.795 111.0 52.0 -68.3 -30.3 -47.7 4.5 15.4 47 48 A M H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.887 107.8 51.9 -72.0 -40.4 -44.8 5.4 13.1 48 49 A E H X S+ 0 0 119 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.876 109.8 49.5 -63.3 -39.4 -44.2 1.8 12.2 49 50 A Q H < S+ 0 0 129 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.907 111.0 48.4 -67.5 -41.3 -47.9 1.3 11.3 50 51 A L H < S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.702 112.3 51.6 -71.1 -17.8 -47.8 4.5 9.1 51 52 A F H >< S+ 0 0 2 -4,-1.1 3,-2.0 5,-0.1 6,-0.5 0.645 81.1 116.7 -91.1 -18.7 -44.7 3.1 7.5 52 53 A A T 3< S+ 0 0 54 -4,-1.1 3,-0.1 -3,-0.5 -3,-0.0 -0.291 86.5 6.7 -56.0 125.5 -46.1 -0.3 6.6 53 54 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.267 111.2 99.0 86.5 -13.7 -46.2 -0.9 2.9 54 55 A T S X S- 0 0 51 -3,-2.0 3,-1.2 1,-0.0 -1,-0.3 -0.369 93.4 -95.9 -95.7-179.3 -44.4 2.3 2.1 55 56 A I T 3 S+ 0 0 59 1,-0.2 -30,-1.9 -2,-0.1 -3,-0.1 0.569 121.7 61.5 -74.7 -8.5 -40.7 2.6 1.2 56 57 A A T > S+ 0 0 0 -5,-0.3 3,-1.4 -32,-0.2 -1,-0.2 0.427 74.1 134.5 -95.8 -1.3 -39.9 3.5 4.8 57 58 A E T < S+ 0 0 93 -3,-1.2 -5,-0.1 -6,-0.5 -32,-0.1 -0.183 73.8 11.9 -50.6 135.6 -41.2 0.2 6.1 58 59 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 -10,-0.2 -1,-0.3 0.752 87.3 158.8 66.8 26.6 -38.8 -1.4 8.7 59 60 A A < - 0 0 12 -3,-1.4 -32,-0.3 1,-0.1 -1,-0.2 -0.696 47.3-112.4 -85.9 129.4 -36.7 1.8 9.1 60 61 A E E -b 27 0A 51 -34,-1.6 -32,-2.7 -2,-0.4 2,-0.6 -0.392 31.3-154.8 -60.9 128.9 -34.7 2.0 12.3 61 62 A I E -b 28 0A 31 -34,-0.2 2,-0.3 -2,-0.1 -32,-0.2 -0.838 10.3-171.9-115.8 98.5 -36.1 4.8 14.5 62 63 A E E -b 29 0A 96 -34,-1.1 -32,-2.6 -2,-0.6 2,-0.4 -0.643 10.6-148.8 -88.0 141.6 -33.8 6.5 17.0 63 64 A F E -b 30 0A 41 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.923 10.0-168.6-113.9 134.2 -35.1 8.9 19.6 64 65 A V E -b 31 0A 49 -34,-3.6 -32,-3.2 -2,-0.4 2,-0.2 -0.978 15.8-135.8-125.2 129.6 -33.2 11.9 21.0 65 66 A E E -b 32 0A 113 -2,-0.4 2,-0.7 -34,-0.2 -32,-0.3 -0.581 8.9-145.9 -83.1 142.9 -34.2 14.0 24.0 66 67 A E E -b 33 0A 29 -34,-3.4 -32,-1.3 192,-0.2 -31,-0.3 -0.908 23.7-131.7-111.8 101.7 -33.9 17.8 23.8 67 68 A E - 0 0 102 -2,-0.7 2,-0.3 -34,-0.2 -32,-0.1 0.129 24.6-102.1 -45.1 164.6 -33.0 19.1 27.3 68 69 A A - 0 0 1 -35,-0.1 13,-0.9 -34,-0.1 2,-0.4 -0.750 35.2-176.9 -96.5 142.4 -34.9 22.0 28.7 69 70 A V E -CD 80 257B 12 188,-3.4 188,-1.9 -2,-0.3 187,-1.5 -0.954 9.3-159.8-141.2 116.8 -33.5 25.5 28.7 70 71 A F E -CD 79 255B 21 9,-2.7 9,-2.3 -2,-0.4 2,-0.5 -0.730 7.4-155.6-104.4 150.9 -35.3 28.4 30.4 71 72 A K E -C 78 0B 64 183,-2.6 2,-0.5 -2,-0.3 183,-0.3 -0.937 18.2-134.6-128.9 109.5 -35.0 32.1 29.9 72 73 A C >> - 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