==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSFERASE 02-OCT-12 3VYS . COMPND 2 MOLECULE: HYDROGENASE EXPRESSION/FORMATION PROTEIN HYPC; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR S.WATANABE,K.MIKI . 754 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 12.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 52 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 4 0 2 1 1 4 5 1 0 1 1 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 3 1 0 1 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 3 1 7 2 0 1 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 2 0 3 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 C 0 0 25 0, 0.0 252,-0.1 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 58.4 -13.2 27.1 -33.9 2 3 A L - 0 0 90 680,-0.1 42,-0.1 2,-0.1 680,-0.0 0.883 360.0-169.6 -65.5 -36.0 -14.4 23.9 -32.5 3 4 A A + 0 0 16 40,-0.3 41,-0.1 1,-0.2 276,-0.1 0.909 9.3 176.7 46.3 65.4 -17.7 24.7 -34.1 4 5 A V E -A 43 0A 29 39,-0.7 39,-1.6 674,-0.0 2,-0.2 -0.785 24.8-127.2 -98.8 138.8 -20.1 22.1 -32.7 5 6 A P E +A 42 0A 40 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.613 30.0 178.9 -85.2 147.1 -23.8 22.3 -33.7 6 7 A G E -A 41 0A 0 35,-2.0 35,-2.2 -2,-0.2 2,-0.7 -0.966 30.7-113.5-145.7 160.5 -26.6 22.4 -31.1 7 8 A K E -AB 40 19A 64 12,-2.4 12,-2.1 -2,-0.3 33,-0.2 -0.860 31.7-130.2-100.0 117.5 -30.4 22.7 -30.9 8 9 A V E + B 0 18A 1 31,-2.8 30,-3.0 -2,-0.7 10,-0.2 -0.455 31.7 170.7 -64.0 129.3 -31.6 25.9 -29.4 9 10 A I E + 0 0 46 8,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.490 64.4 25.6-118.7 -9.1 -34.2 25.1 -26.7 10 11 A E E - B 0 17A 96 7,-0.7 7,-2.5 26,-0.1 2,-0.5 -0.900 56.8-167.7-159.6 126.1 -34.7 28.5 -25.1 11 12 A V E + B 0 16A 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.965 12.9 166.5-117.1 131.1 -34.3 32.1 -26.3 12 13 A N - 0 0 95 3,-3.4 3,-0.4 -2,-0.5 4,-0.0 -0.620 65.2 -62.4-143.7 77.5 -34.3 34.9 -23.8 13 14 A G S S- 0 0 52 1,-0.2 -1,-0.4 -2,-0.2 16,-0.0 -0.523 117.9 -11.6 76.2-149.0 -33.1 38.1 -25.5 14 15 A P S S+ 0 0 62 0, 0.0 15,-1.9 0, 0.0 16,-0.5 0.225 127.2 82.0 -70.9 21.4 -29.5 38.0 -26.7 15 16 A V E + C 0 28A 28 -3,-0.4 -3,-3.4 13,-0.3 2,-0.3 -0.977 54.7 175.9-129.3 141.1 -29.1 34.7 -24.7 16 17 A A E -BC 11 27A 0 11,-2.0 11,-3.2 -2,-0.4 2,-0.7 -0.964 29.7-127.5-141.0 156.1 -30.1 31.2 -25.6 17 18 A V E -BC 10 26A 26 -7,-2.5 -8,-3.0 -2,-0.3 -7,-0.7 -0.905 31.2-165.9-108.0 106.3 -29.8 27.7 -24.2 18 19 A V E -BC 8 25A 0 7,-2.6 7,-1.8 -2,-0.7 2,-0.6 -0.734 10.1-145.0 -96.4 139.9 -28.3 25.4 -26.8 19 20 A D E -BC 7 24A 19 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.8 -0.909 10.8-172.2-108.8 117.0 -28.3 21.6 -26.5 20 21 A F S S- 0 0 10 3,-3.6 -14,-0.1 -2,-0.6 4,-0.1 -0.584 73.7 -58.2-104.8 67.4 -25.3 19.7 -27.8 21 22 A G S S- 0 0 46 -2,-0.8 657,-0.3 1,-0.2 658,-0.2 0.990 121.7 -19.9 59.5 68.4 -26.6 16.2 -27.4 22 23 A G S S+ 0 0 8 1,-0.1 589,-0.7 656,-0.1 2,-0.4 0.641 122.2 94.1 79.7 14.1 -27.4 16.0 -23.7 23 24 A V E - D 0 610A 0 587,-0.2 -3,-3.6 588,-0.1 2,-0.3 -0.956 57.6-161.4-140.6 117.7 -25.1 18.9 -22.8 24 25 A K E +CD 19 609A 67 585,-0.5 585,-0.7 -2,-0.4 2,-0.3 -0.770 13.3 168.9-106.4 148.3 -26.5 22.5 -22.5 25 26 A R E -C 18 0A 94 -7,-1.8 -7,-2.6 -2,-0.3 2,-0.3 -0.980 36.0-108.3-149.6 150.8 -24.7 25.8 -22.5 26 27 A E E -C 17 0A 138 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.656 36.4-166.2 -84.9 138.4 -25.9 29.4 -22.8 27 28 A V E -C 16 0A 3 -11,-3.2 -11,-2.0 -2,-0.3 2,-0.3 -0.978 20.2-123.1-131.2 139.4 -25.1 31.2 -26.1 28 29 A R E -Ce 15 47A 29 18,-2.7 20,-2.5 -2,-0.4 3,-0.3 -0.571 14.3-163.5 -77.6 137.4 -25.2 34.8 -27.2 29 30 A L > + 0 0 5 -15,-1.9 3,-2.8 -2,-0.3 6,-0.2 0.242 52.6 119.2-106.0 13.2 -27.5 35.5 -30.1 30 31 A D T 3 S+ 0 0 24 -16,-0.5 -1,-0.2 1,-0.3 19,-0.1 0.786 84.0 39.7 -47.9 -33.9 -26.0 38.9 -31.0 31 32 A L T 3 S+ 0 0 1 17,-0.5 -1,-0.3 -3,-0.3 287,-0.2 0.267 122.9 41.7-102.7 11.5 -25.0 37.6 -34.5 32 33 A M X + 0 0 17 -3,-2.8 3,-1.8 285,-0.1 -1,-0.2 -0.348 61.9 159.1-153.0 60.3 -28.2 35.6 -35.0 33 34 A P T 3 S+ 0 0 82 0, 0.0 -20,-0.1 0, 0.0 -3,-0.1 0.896 73.3 62.9 -52.1 -48.0 -31.1 37.7 -33.7 34 35 A D T 3 S+ 0 0 150 -3,-0.1 -5,-0.0 2,-0.0 -3,-0.0 0.590 77.6 128.3 -56.7 -11.1 -33.7 35.8 -35.7 35 36 A T < + 0 0 9 -3,-1.8 -6,-0.0 -6,-0.2 -3,-0.0 -0.131 33.2 171.9 -50.1 142.6 -32.7 32.7 -33.7 36 37 A K > - 0 0 131 -28,-0.0 3,-1.8 -26,-0.0 -28,-0.2 -0.984 40.5 -72.3-153.2 151.6 -35.7 30.9 -32.1 37 38 A P T 3 S+ 0 0 75 0, 0.0 -28,-0.2 0, 0.0 3,-0.1 -0.062 115.8 34.7 -46.5 142.6 -36.3 27.6 -30.2 38 39 A G T 3 S+ 0 0 47 -30,-3.0 -29,-0.1 1,-0.4 2,-0.0 0.073 92.2 123.1 97.6 -23.2 -36.0 24.4 -32.3 39 40 A D < - 0 0 43 -3,-1.8 -31,-2.8 -32,-0.1 2,-0.5 -0.223 57.9-133.7 -69.3 158.1 -33.3 26.0 -34.5 40 41 A W E -A 7 0A 89 12,-0.4 12,-3.3 -33,-0.2 2,-0.3 -0.972 29.3-179.2-116.5 125.8 -29.9 24.5 -35.0 41 42 A V E -AF 6 51A 0 -35,-2.2 -35,-2.0 -2,-0.5 2,-0.5 -0.860 30.5-123.8-126.7 161.2 -26.9 26.8 -34.7 42 43 A I E -AF 5 50A 0 8,-1.9 7,-2.1 -2,-0.3 8,-0.7 -0.891 31.2-152.2 -99.2 126.2 -23.1 26.7 -35.0 43 44 A V E +AF 4 48A 16 -39,-1.6 -39,-0.7 -2,-0.5 2,-0.5 -0.905 16.5 179.2-110.9 122.0 -21.5 28.0 -31.8 44 45 A H E > S- F 0 47A 7 3,-2.5 3,-1.2 -2,-0.6 -2,-0.0 -0.973 74.3 -21.3-121.2 117.0 -18.1 29.6 -31.8 45 46 A T T 3 S- 0 0 32 -2,-0.5 134,-0.4 1,-0.3 133,-0.3 0.902 128.0 -48.1 51.6 49.6 -16.7 30.9 -28.5 46 47 A G T 3 S+ 0 0 26 1,-0.2 -18,-2.7 131,-0.1 2,-0.4 0.588 118.1 107.5 72.4 10.7 -20.1 31.1 -26.9 47 48 A F E < -eF 28 44A 0 -3,-1.2 -3,-2.5 -20,-0.2 2,-0.5 -0.934 68.4-127.6-123.2 145.9 -21.7 32.9 -29.8 48 49 A A E + F 0 43A 0 -20,-2.5 -17,-0.5 -2,-0.4 -5,-0.2 -0.801 28.8 172.4 -89.5 127.0 -24.2 31.8 -32.4 49 50 A I E - 0 0 0 -7,-2.1 2,-0.3 -2,-0.5 -1,-0.1 0.594 60.0 -5.1-110.2 -17.7 -22.9 32.6 -35.9 50 51 A E E - F 0 42A 8 -8,-0.7 -8,-1.9 -18,-0.1 2,-0.4 -0.982 59.5-118.0-170.2 161.3 -25.4 30.8 -38.1 51 52 A K E - F 0 41A 26 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.841 31.2-122.1-107.5 144.6 -28.4 28.6 -38.3 52 53 A L 0 0 24 -12,-3.3 -12,-0.4 -2,-0.4 257,-0.2 -0.724 360.0 360.0 -88.3 134.1 -28.3 25.2 -40.1 53 54 A D 0 0 174 255,-2.1 256,-0.1 -2,-0.4 -1,-0.0 -0.701 360.0 360.0 -98.5 360.0 -30.8 24.8 -42.9 54 !* 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 55 4 B P 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.2 -28.8 14.8 -37.6 56 5 B F > + 0 0 63 1,-0.1 3,-2.2 3,-0.0 4,-0.3 0.603 360.0 148.0 72.2 12.5 -26.5 15.3 -40.6 57 6 B E G >> + 0 0 55 1,-0.3 3,-3.0 2,-0.2 4,-1.1 0.839 62.6 67.3 -44.8 -40.6 -25.3 11.6 -40.2 58 7 B A G >4 S+ 0 0 59 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.865 91.3 61.2 -50.0 -40.2 -24.9 11.4 -43.9 59 8 B Y G <4 S+ 0 0 71 -3,-2.2 223,-2.0 1,-0.3 224,-0.4 0.551 115.8 33.2 -66.0 -6.6 -22.0 13.9 -43.6 60 9 B R G <4 S+ 0 0 137 -3,-3.0 -1,-0.3 -4,-0.3 -2,-0.2 0.363 91.2 132.9-125.0 -4.5 -20.3 11.3 -41.4 61 10 B S S+ 0 0 93 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.899 100.1 49.6 -66.6 -42.0 -19.2 5.5 -44.1 63 12 B E H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.970 109.8 50.6 -61.1 -53.1 -21.0 4.6 -47.2 64 13 B V H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 114.8 45.8 -51.4 -39.0 -21.3 8.2 -48.4 65 14 B A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.932 107.5 54.3 -72.0 -47.4 -17.5 8.4 -47.8 66 15 B M H X S+ 0 0 104 -4,-3.3 4,-1.1 1,-0.2 -2,-0.2 0.812 111.7 48.6 -57.7 -28.7 -16.6 5.1 -49.5 67 16 B K H X S+ 0 0 140 -4,-2.1 4,-2.6 -5,-0.2 3,-0.3 0.956 111.3 46.3 -74.4 -53.5 -18.5 6.4 -52.5 68 17 B L H X S+ 0 0 16 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.878 111.1 54.3 -55.4 -41.1 -16.8 9.9 -52.6 69 18 B V H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 -1,-0.3 0.870 109.7 48.3 -62.1 -37.4 -13.4 8.2 -52.1 70 19 B E H X S+ 0 0 108 -4,-1.1 4,-3.1 -3,-0.3 -2,-0.2 0.934 110.5 48.3 -70.3 -46.8 -14.1 6.0 -55.1 71 20 B K H X S+ 0 0 110 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.941 113.9 48.9 -57.8 -45.6 -15.2 8.8 -57.4 72 21 B I H X S+ 0 0 1 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.949 111.9 48.3 -57.9 -50.7 -12.1 10.7 -56.3 73 22 B R H X S+ 0 0 107 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.910 110.4 51.6 -56.7 -44.9 -9.9 7.7 -57.0 74 23 B E H >X S+ 0 0 61 -4,-3.1 4,-0.9 1,-0.2 3,-0.5 0.955 110.2 48.6 -56.8 -52.9 -11.5 7.2 -60.4 75 24 B E H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 111.3 49.9 -58.6 -32.6 -10.9 10.8 -61.4 76 25 B A H >< S+ 0 0 2 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.765 96.1 68.6 -80.7 -27.0 -7.2 10.7 -60.3 77 26 B K H << S+ 0 0 88 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.860 105.7 43.6 -59.3 -34.2 -6.4 7.5 -62.1 78 27 B T T 3< S+ 0 0 97 -4,-0.9 2,-0.4 -3,-0.2 -1,-0.3 -0.116 96.3 110.7-101.8 35.0 -6.8 9.4 -65.4 79 28 B L < - 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0 0 22 0, 0.0 3,-3.2 0, 0.0 -1,-0.1 -0.442 35.6-110.4 -69.1 140.2 -4.7 8.7 -54.5 107 56 B E T 3 S+ 0 0 91 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.708 118.3 54.8 -43.7 -26.9 -0.9 9.2 -54.6 108 57 B N T 3 S+ 0 0 32 -26,-0.1 -25,-2.5 1,-0.1 2,-0.5 0.302 95.5 77.4 -94.7 9.7 -1.3 12.0 -57.1 109 58 B V E < -g 83 0B 3 -3,-3.2 2,-0.4 -27,-0.2 -25,-0.2 -0.970 61.4-177.5-122.6 117.1 -3.8 14.0 -54.9 110 59 B K E -g 84 0B 85 -27,-2.4 -25,-3.3 -2,-0.5 2,-0.5 -0.889 16.9-156.6-118.7 146.4 -2.4 16.0 -52.0 111 60 B V E -g 85 0B 5 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.985 17.6-171.5-119.2 121.4 -4.0 18.1 -49.3 112 61 B V E -g 86 0B 16 -27,-3.1 -25,-2.3 -2,-0.5 2,-0.6 -0.905 20.1-128.2-117.6 146.2 -1.9 20.8 -47.7 113 62 B S E -g 87 0B 7 -2,-0.4 269,-0.3 -27,-0.2 -25,-0.2 -0.818 25.1-164.6 -95.6 123.0 -2.6 23.0 -44.7 114 63 B G - 0 0 3 -27,-3.4 2,-1.4 -2,-0.6 267,-0.2 0.059 50.5 -59.2 -85.8-159.2 -2.2 26.7 -45.2 115 64 B P S S+ 0 0 4 0, 0.0 2,-1.2 0, 0.0 -27,-0.1 -0.208 78.3 141.6 -81.7 48.4 -1.9 29.4 -42.5 116 65 B G + 0 0 3 -2,-1.4 -26,-3.4 -29,-0.3 -25,-0.2 -0.271 41.4 91.7 -86.7 51.4 -5.3 28.6 -41.0 117 66 B a >> - 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