==== 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 3A43 . COMPND 2 MOLECULE: HYDROGENASE NICKEL INCORPORATION PROTEIN HYPA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS KODAKARAENSIS; . AUTHOR S.WATANABE,T.ARAI,R.MATSUMI,H.AROMI,T.IMANAKA,K.MIKI . 257 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 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 . 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 . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 0 0 0 0 0 2 0 0 0 0 0 1 1 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 . 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 51 0, 0.0 38,-0.1 0, 0.0 191,-0.0 0.000 360.0 360.0 360.0 93.5 10.2 42.3 147.1 2 2 A H > - 0 0 95 1,-0.1 4,-2.3 4,-0.1 5,-0.2 -0.037 360.0 -84.5 -68.3 176.5 6.6 43.3 146.5 3 3 A E H > S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.837 125.9 52.7 -55.6 -37.0 4.3 41.9 143.8 4 4 A W H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 111.6 43.1 -70.0 -44.6 5.6 44.3 141.1 5 5 A A H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 116.6 51.1 -68.3 -32.6 9.2 43.5 141.6 6 6 A L H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.970 111.4 44.6 -67.1 -52.4 8.3 39.8 141.8 7 7 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.904 112.2 54.5 -57.4 -42.4 6.3 39.8 138.6 8 8 A D H X S+ 0 0 59 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.917 111.1 43.9 -60.1 -43.3 9.0 41.8 136.9 9 9 A A H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.909 115.4 48.5 -68.5 -42.2 11.7 39.2 137.8 10 10 A I H X S+ 0 0 8 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.936 112.2 47.9 -61.6 -49.6 9.4 36.2 136.9 11 11 A V H X S+ 0 0 10 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.875 111.3 51.8 -60.9 -37.3 8.5 37.7 133.5 12 12 A R H X S+ 0 0 131 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.888 108.6 50.7 -68.5 -36.7 12.1 38.4 132.9 13 13 A T H X S+ 0 0 74 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.862 114.3 45.6 -67.2 -33.7 13.0 34.8 133.7 14 14 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.943 114.0 44.6 -74.6 -50.8 10.3 33.6 131.3 15 15 A L H X S+ 0 0 47 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.843 111.2 55.3 -65.3 -32.4 11.1 35.9 128.4 16 16 A D H X S+ 0 0 80 -4,-1.8 4,-2.4 -5,-0.3 5,-0.3 0.954 109.8 45.3 -65.1 -48.2 14.8 35.3 128.7 17 17 A Y H X S+ 0 0 75 -4,-1.4 4,-1.9 1,-0.2 6,-0.2 0.932 112.8 50.9 -59.8 -45.9 14.4 31.5 128.4 18 18 A A H <>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 4,-0.5 0.844 110.2 52.1 -60.3 -34.2 12.0 31.9 125.5 19 19 A Q H ><5S+ 0 0 145 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.957 111.7 41.9 -69.2 -51.8 14.5 34.1 123.8 20 20 A R H 3<5S+ 0 0 177 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.763 114.2 54.7 -67.9 -22.7 17.5 31.8 124.0 21 21 A E T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.575 107.6-126.7 -84.7 -10.8 15.3 28.9 123.1 22 22 A G T < 5 + 0 0 52 -3,-1.1 114,-0.4 -4,-0.5 -3,-0.2 0.753 45.3 179.0 70.3 24.3 14.1 30.7 120.0 23 23 A A < - 0 0 15 -5,-2.2 112,-0.3 -6,-0.2 -1,-0.1 -0.122 31.8-158.1 -58.9 154.5 10.5 30.1 121.1 24 24 A S S S+ 0 0 49 110,-3.5 2,-0.3 1,-0.4 111,-0.2 0.492 78.7 5.6-107.6 -12.2 7.6 31.4 119.0 25 25 A R E -A 134 0A 92 109,-1.2 109,-2.2 -7,-0.1 2,-0.6 -0.951 60.4-132.1-169.4 147.6 5.2 31.4 122.0 26 26 A V E +A 133 0A 0 30,-2.3 107,-0.3 -2,-0.3 3,-0.1 -0.948 24.9 176.9-105.8 116.7 5.1 30.9 125.7 27 27 A K E + 0 0 57 105,-2.8 34,-2.9 -2,-0.6 2,-0.3 0.819 60.1 0.6 -89.4 -38.8 2.1 28.6 126.5 28 28 A A E -Ab 132 61A 26 104,-1.6 104,-2.5 32,-0.3 2,-0.4 -0.997 50.5-160.8-154.0 157.5 2.4 28.1 130.3 29 29 A V E -Ab 131 62A 2 32,-2.5 34,-3.0 -2,-0.3 2,-0.5 -0.997 7.3-158.2-141.3 131.0 4.4 29.1 133.3 30 30 A R E -Ab 130 63A 99 100,-2.8 99,-2.2 -2,-0.4 100,-1.3 -0.959 13.8-170.7-112.3 125.6 4.5 27.3 136.6 31 31 A V E -Ab 128 64A 0 32,-3.6 34,-2.8 -2,-0.5 2,-0.5 -0.963 11.2-150.8-120.7 133.3 5.7 29.4 139.6 32 32 A V E -Ab 127 65A 6 95,-3.2 95,-2.3 -2,-0.4 2,-0.4 -0.893 14.1-171.8-103.5 128.1 6.5 28.1 143.0 33 33 A L E -Ab 126 66A 2 32,-3.0 34,-1.8 -2,-0.5 93,-0.2 -0.982 23.2-121.2-122.7 127.5 5.9 30.5 146.0 34 34 A G E > - b 0 67A 4 91,-2.6 3,-1.3 -2,-0.4 34,-0.2 -0.238 19.5-124.2 -62.0 150.4 7.0 29.8 149.5 35 35 A E T 3 S+ 0 0 37 32,-2.0 89,-0.1 1,-0.3 -1,-0.1 0.627 110.0 64.4 -71.8 -9.8 4.3 29.7 152.2 36 36 A L T 3 S+ 0 0 3 87,-2.5 -1,-0.3 31,-0.3 88,-0.2 0.608 78.1 107.8 -86.5 -12.2 6.3 32.4 154.1 37 37 A Q < - 0 0 22 -3,-1.3 88,-0.1 86,-0.3 154,-0.1 -0.398 56.6-158.3 -65.0 137.5 5.8 34.9 151.3 38 38 A D + 0 0 55 63,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.357 50.2 122.9-100.2 6.5 3.4 37.7 152.1 39 39 A V - 0 0 15 -38,-0.1 2,-0.7 1,-0.1 3,-0.1 -0.324 68.3-117.4 -69.8 147.9 2.6 38.7 148.5 40 40 A A > - 0 0 36 1,-0.2 4,-1.8 -2,-0.1 3,-0.4 -0.761 23.1-152.0 -83.4 114.6 -1.0 38.6 147.2 41 41 A E H > S+ 0 0 91 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.861 90.9 55.4 -60.7 -37.9 -0.9 36.0 144.4 42 42 A D H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 107.3 51.8 -65.9 -31.7 -3.7 37.5 142.3 43 43 A I H > S+ 0 0 60 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.945 107.3 51.9 -67.7 -44.5 -1.8 40.8 142.2 44 44 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.890 112.8 46.1 -57.1 -38.9 1.4 39.0 141.0 45 45 A K H X S+ 0 0 72 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.928 110.9 51.9 -68.8 -43.0 -0.7 37.3 138.2 46 46 A F H X S+ 0 0 113 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.913 113.4 44.8 -57.8 -44.7 -2.3 40.6 137.3 47 47 A A H X S+ 0 0 3 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.884 111.0 53.0 -69.0 -39.7 1.2 42.2 137.1 48 48 A M H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.936 108.8 50.2 -61.0 -44.9 2.6 39.3 135.1 49 49 A E H X S+ 0 0 102 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.906 109.2 51.4 -60.3 -41.3 -0.3 39.5 132.6 50 50 A Q H < S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.5 45.6 -64.7 -36.1 0.3 43.3 132.1 51 51 A L H < S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.751 111.4 53.6 -77.2 -24.6 4.0 42.6 131.5 52 52 A F H >< S+ 0 0 3 -4,-1.8 3,-2.4 -5,-0.2 6,-0.4 0.692 81.3 112.6 -81.7 -22.3 3.2 39.8 129.1 53 53 A A T 3< S+ 0 0 55 -4,-1.3 3,-0.1 1,-0.3 4,-0.0 -0.260 87.1 11.6 -55.3 133.0 0.8 41.9 126.9 54 54 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.482 111.3 100.7 77.1 -0.3 2.2 42.4 123.4 55 55 A T S X S- 0 0 44 -3,-2.4 3,-1.6 1,-0.0 -1,-0.3 -0.606 92.1-101.3-108.1 174.4 5.0 39.8 124.0 56 56 A I T 3 S+ 0 0 70 1,-0.3 -30,-2.3 -2,-0.2 -3,-0.1 0.559 120.3 64.2 -72.6 -4.5 5.1 36.2 122.8 57 57 A A T > S+ 0 0 0 -5,-0.3 3,-2.4 -32,-0.2 -1,-0.3 0.405 70.6 126.6 -96.8 1.1 4.0 35.2 126.3 58 58 A E T < S+ 0 0 114 -3,-1.6 -32,-0.1 -6,-0.4 3,-0.1 -0.387 78.0 18.7 -60.6 129.7 0.7 36.9 126.0 59 59 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.339 86.2 151.4 92.4 -9.1 -2.0 34.4 126.9 60 60 A A < - 0 0 12 -3,-2.4 2,-0.4 1,-0.1 -32,-0.3 -0.266 50.1-118.4 -56.1 139.2 0.4 32.0 128.7 61 61 A E E -b 28 0A 150 -34,-2.9 -32,-2.5 -3,-0.1 2,-0.5 -0.666 28.1-148.8 -81.3 137.0 -1.5 30.1 131.4 62 62 A I E -b 29 0A 24 -2,-0.4 2,-0.5 -34,-0.2 -32,-0.2 -0.931 13.6-172.4-113.1 125.4 0.0 30.8 134.8 63 63 A E E -b 30 0A 110 -34,-3.0 -32,-3.6 -2,-0.5 2,-0.4 -0.970 6.5-158.5-119.6 129.9 0.0 28.3 137.6 64 64 A F E -b 31 0A 30 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.883 8.1-170.9-106.9 136.2 1.1 29.0 141.2 65 65 A V E -b 32 0A 39 -34,-2.8 -32,-3.0 -2,-0.4 2,-0.3 -0.987 19.7-127.7-128.9 134.3 2.3 26.3 143.6 66 66 A E E -b 33 0A 117 -2,-0.4 2,-0.6 -34,-0.2 -32,-0.2 -0.632 14.0-152.5 -81.5 134.5 2.9 26.6 147.3 67 67 A E E -b 34 0A 33 -34,-1.8 -32,-2.0 -2,-0.3 -31,-0.3 -0.942 23.2-124.8-107.9 115.0 6.3 25.4 148.7 68 68 A E - 0 0 63 -2,-0.6 2,-0.2 -34,-0.2 56,-0.1 -0.224 28.3-107.1 -56.4 144.3 6.0 24.2 152.3 69 69 A A - 0 0 0 54,-0.2 13,-0.7 55,-0.1 2,-0.4 -0.541 35.3-172.1 -76.9 138.5 8.4 25.9 154.8 70 70 A V E -CD 81 122B 18 52,-2.3 51,-3.1 -2,-0.2 52,-1.5 -0.992 2.5-166.6-134.3 125.5 11.3 23.8 156.1 71 71 A F E -CD 80 120B 0 9,-2.7 9,-2.0 -2,-0.4 2,-0.5 -0.839 10.3-157.2-115.1 151.4 13.6 25.0 158.9 72 72 A K E -CD 79 119B 71 47,-2.6 47,-0.8 -2,-0.3 2,-0.4 -0.940 19.3-135.5-129.5 109.6 16.9 23.7 160.2 73 73 A C E >> - D 0 118B 0 5,-2.7 4,-1.8 -2,-0.5 3,-1.0 -0.463 6.7-153.6 -63.8 117.7 18.0 24.5 163.7 74 74 A R T 34 S+ 0 0 125 43,-1.0 -1,-0.2 -2,-0.4 44,-0.1 0.164 91.0 60.8 -81.7 22.8 21.6 25.6 163.7 75 75 A N T 34 S+ 0 0 115 41,-0.1 -1,-0.2 3,-0.1 39,-0.1 0.543 127.7 5.9-118.4 -21.0 21.9 24.4 167.3 76 76 A C T <4 S- 0 0 51 -3,-1.0 -2,-0.2 2,-0.1 3,-0.1 0.206 94.2-122.4-145.4 7.8 21.1 20.7 166.8 77 77 A N < + 0 0 112 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.675 57.8 155.4 53.6 22.6 20.9 20.6 163.0 78 78 A Y - 0 0 75 -5,-0.3 -5,-2.7 -6,-0.0 2,-0.5 -0.567 31.6-148.2 -81.8 142.4 17.3 19.3 163.3 79 79 A E E +C 72 0B 96 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.941 22.5 164.7-115.2 129.1 14.9 19.8 160.4 80 80 A W E -C 71 0B 14 -9,-2.0 -9,-2.7 -2,-0.5 2,-0.3 -0.980 26.4-140.7-143.3 155.2 11.1 20.3 160.7 81 81 A K E > -C 70 0B 58 -2,-0.3 3,-1.9 -11,-0.2 4,-0.3 -0.756 34.3-110.8-108.5 155.7 8.1 21.6 158.7 82 82 A L G > S+ 0 0 14 -13,-0.7 3,-0.6 -2,-0.3 -1,-0.1 0.855 120.1 53.0 -55.4 -37.2 5.3 23.7 160.2 83 83 A K G 3 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.1 11,-0.1 0.562 80.1 102.9 -75.4 -8.6 2.9 20.7 159.9 84 84 A E G < - 0 0 76 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.870 58.7-170.4 -42.1 -52.8 5.4 18.5 161.8 85 85 A V X + 0 0 17 -3,-0.6 3,-0.7 -4,-0.3 -1,-0.1 0.938 20.8 170.0 60.1 48.3 3.3 18.8 164.9 86 86 A K T 3 S+ 0 0 78 1,-0.5 2,-0.5 2,-0.0 -1,-0.1 0.927 102.9 25.3 -51.6 -36.1 5.9 17.2 167.2 87 87 A D T 3 S- 0 0 129 0, 0.0 2,-0.5 0, 0.0 -1,-0.5 -0.974 106.4-146.1-124.4 99.5 3.1 18.7 169.3 88 88 A K < - 0 0 53 -3,-0.7 4,-0.1 -2,-0.5 -5,-0.1 -0.651 23.6-109.1 -76.5 121.5 0.2 18.7 166.8 89 89 A F - 0 0 74 -2,-0.5 -1,-0.1 2,-0.2 5,-0.1 -0.001 44.0 -88.9 -42.9 156.6 -2.1 21.7 167.3 90 90 A D S S+ 0 0 110 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 0.795 119.8 75.7 -40.4 -35.4 -5.5 20.8 168.8 91 91 A E - 0 0 120 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 -0.704 65.9-170.5 -87.9 98.0 -6.7 20.3 165.2 92 92 A R + 0 0 81 -2,-1.1 2,-3.0 1,-0.2 3,-0.2 0.695 69.0 90.0 -60.9 -23.1 -5.2 16.9 164.1 93 93 A I > + 0 0 111 1,-0.2 3,-1.0 2,-0.1 4,-0.3 -0.483 60.2 173.1 -75.5 74.7 -6.2 17.5 160.5 94 94 A K G > + 0 0 67 -2,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.823 69.5 59.6 -55.3 -41.1 -2.8 19.2 160.0 95 95 A E G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.838 96.3 68.9 -58.3 -29.9 -3.1 19.6 156.2 96 96 A D G < S+ 0 0 96 -3,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.705 82.6 93.2 -59.1 -28.2 -6.2 21.7 157.2 97 97 A I < - 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