==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JUN-11 3SB1 . COMPND 2 MOLECULE: HYDROGENASE EXPRESSION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS DENITRIFICANS; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,J.RUAN,R.D. . 238 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 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 . 1 0.4 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 . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 32.4 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+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 2 0 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 2 2 2 2 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 0 0 0 0 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 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 17 A A 0 0 118 0, 0.0 38,-0.8 0, 0.0 39,-0.5 0.000 360.0 360.0 360.0 108.4 -0.6 18.4 21.0 2 18 A R - 0 0 177 37,-0.2 34,-0.0 1,-0.1 0, 0.0 -0.904 360.0-167.3-109.5 138.7 -3.6 16.0 21.3 3 19 A S - 0 0 53 -2,-0.4 -1,-0.1 34,-0.1 33,-0.0 0.556 41.0-120.2 -98.3 -14.2 -7.0 17.1 22.9 4 20 A G S > S+ 0 0 48 3,-0.0 3,-0.9 1,-0.0 32,-0.1 0.345 82.1 117.4 89.3 -0.7 -8.5 13.6 23.1 5 21 A N T 3 + 0 0 99 1,-0.2 4,-0.1 2,-0.1 31,-0.0 0.485 58.2 65.0 -84.6 0.7 -11.3 14.7 20.9 6 22 A A T > S+ 0 0 0 1,-0.1 3,-1.7 2,-0.1 4,-0.4 0.658 79.8 83.1 -91.1 -16.8 -10.7 12.4 18.0 7 23 A L T X> S+ 0 0 75 -3,-0.9 3,-1.6 1,-0.3 4,-0.6 0.881 83.0 60.0 -59.0 -36.2 -11.5 9.1 20.0 8 24 A P H 3> S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.729 89.5 75.2 -62.2 -17.8 -15.2 9.4 19.5 9 25 A L H <> S+ 0 0 10 -3,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.790 84.3 62.1 -66.7 -24.8 -14.7 9.3 15.8 10 26 A L H <> S+ 0 0 0 -3,-1.6 4,-2.3 -4,-0.4 -1,-0.2 0.930 105.1 47.6 -66.7 -40.8 -14.0 5.5 15.9 11 27 A R H X S+ 0 0 161 -4,-0.6 4,-2.1 -3,-0.2 -2,-0.2 0.898 111.3 51.5 -63.6 -38.3 -17.6 5.0 17.2 12 28 A E H X S+ 0 0 65 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.923 108.8 50.2 -63.7 -45.5 -18.9 7.3 14.5 13 29 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.911 108.8 52.2 -57.9 -45.6 -17.1 5.3 11.9 14 30 A A H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.888 110.5 48.5 -60.6 -37.2 -18.5 2.0 13.2 15 31 A E H X S+ 0 0 85 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.905 109.9 51.1 -69.5 -43.3 -22.0 3.5 13.0 16 32 A H H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.866 108.4 53.3 -60.0 -38.9 -21.5 4.7 9.5 17 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 108.2 48.9 -60.6 -44.1 -20.3 1.2 8.5 18 34 A H H X S+ 0 0 79 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.922 112.4 49.8 -59.2 -43.9 -23.4 -0.3 9.9 19 35 A H H X S+ 0 0 66 -4,-2.3 4,-2.9 1,-0.2 6,-0.6 0.894 109.6 50.2 -62.6 -43.8 -25.5 2.3 8.0 20 36 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.929 113.1 46.3 -62.0 -48.3 -23.6 1.5 4.7 21 37 A L H < S+ 0 0 27 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.916 118.8 39.9 -62.3 -41.2 -24.2 -2.2 5.1 22 38 A E H < S+ 0 0 132 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 132.5 20.1 -77.3 -38.1 -27.8 -1.9 6.0 23 39 A T H < S- 0 0 70 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.609 89.1-125.4-110.1 -17.2 -28.9 0.8 3.6 24 40 A G < + 0 0 43 -4,-2.2 2,-0.5 -5,-0.5 -4,-0.2 0.440 67.6 135.5 81.5 -0.2 -26.2 1.0 0.8 25 41 A E - 0 0 111 -6,-0.6 -1,-0.3 68,-0.1 -2,-0.2 -0.740 49.0-140.3 -90.1 123.8 -25.9 4.7 1.6 26 42 A A - 0 0 58 -2,-0.5 2,-0.3 -3,-0.1 67,-0.2 -0.285 19.5-164.6 -72.2 161.2 -22.4 6.2 1.9 27 43 A S E -A 92 0A 21 65,-2.1 65,-2.8 -2,-0.0 2,-0.3 -0.931 6.3-147.0-142.7 163.8 -21.6 8.7 4.6 28 44 A T E -A 91 0A 78 -2,-0.3 2,-0.5 63,-0.2 63,-0.2 -0.961 8.9-152.3-136.5 152.9 -18.9 11.3 5.4 29 45 A I E -A 90 0A 5 61,-2.1 61,-2.5 -2,-0.3 2,-1.5 -0.986 22.8-142.4-121.0 109.2 -17.2 12.7 8.4 30 46 A D >> + 0 0 77 -2,-0.5 3,-1.0 59,-0.2 4,-0.5 -0.576 22.4 179.0 -78.5 89.2 -15.9 16.2 7.6 31 47 A L G >4 S+ 0 0 2 -2,-1.5 3,-1.4 57,-0.3 5,-0.4 0.847 75.0 60.4 -61.4 -37.6 -12.7 16.3 9.5 32 48 A S G 34 S+ 0 0 65 56,-1.8 -1,-0.3 1,-0.3 57,-0.1 0.802 103.8 52.3 -60.9 -31.4 -11.7 19.8 8.4 33 49 A A G <4 S+ 0 0 76 -3,-1.0 -1,-0.3 55,-0.3 -2,-0.2 0.581 93.4 92.4 -83.0 -10.5 -14.9 21.1 10.1 34 50 A L S << S- 0 0 62 -3,-1.4 2,-1.8 -4,-0.5 -5,-0.0 -0.545 85.7-115.0 -87.7 153.6 -14.2 19.5 13.5 35 51 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -30,-0.1 -0.258 65.8 142.0 -83.7 54.1 -12.3 21.1 16.4 36 52 A L - 0 0 27 -2,-1.8 -34,-0.1 -5,-0.4 -2,-0.0 -0.713 47.3-130.7 -96.2 143.9 -9.4 18.6 16.1 37 53 A T > - 0 0 38 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.465 30.8-106.3 -83.7 162.6 -5.8 19.6 16.6 38 54 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.911 124.8 54.7 -55.8 -37.5 -3.1 18.5 14.1 39 55 A G H > S+ 0 0 10 -38,-0.8 4,-2.2 1,-0.2 -37,-0.2 0.865 105.0 53.4 -62.8 -39.2 -2.0 16.0 16.7 40 56 A D H > S+ 0 0 4 -39,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.894 110.4 46.3 -60.9 -45.6 -5.5 14.6 16.9 41 57 A L H X S+ 0 0 34 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.887 111.0 51.7 -66.1 -39.7 -5.7 14.1 13.2 42 58 A E H X S+ 0 0 142 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.888 110.3 50.3 -62.4 -41.7 -2.2 12.4 13.1 43 59 A W H X S+ 0 0 51 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.940 112.8 45.5 -59.5 -50.7 -3.4 10.1 15.9 44 60 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.918 112.3 49.9 -61.2 -45.4 -6.6 9.1 13.9 45 61 A R H X S+ 0 0 84 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.930 113.7 47.2 -60.5 -42.1 -4.7 8.7 10.6 46 62 A A H < S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.0 50.4 -67.0 -38.1 -2.2 6.4 12.4 47 63 A E H < S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.7 45.7 -67.3 -40.6 -4.9 4.4 14.1 48 64 A L H < S- 0 0 1 -4,-2.3 21,-2.3 -5,-0.2 22,-0.4 0.759 98.9-168.2 -73.5 -26.0 -6.9 3.8 11.0 49 65 A G < - 0 0 26 -4,-1.5 2,-0.4 -5,-0.2 20,-0.2 0.070 24.8 -57.4 68.2-173.3 -3.8 2.8 9.1 50 66 A G - 0 0 67 18,-0.3 18,-0.3 -4,-0.1 2,-0.1 -0.847 52.3-167.9-110.5 143.5 -3.2 2.3 5.4 51 67 A G - 0 0 22 16,-2.6 18,-0.2 -2,-0.4 16,-0.1 -0.325 38.3 -73.4-114.8-156.2 -5.1 -0.2 3.3 52 68 A E S S+ 0 0 136 16,-0.4 127,-2.7 -2,-0.1 2,-0.5 0.735 103.2 59.2 -80.7 -23.5 -5.0 -1.9 -0.0 53 69 A V E +B 178 0A 4 125,-0.2 14,-3.0 15,-0.2 2,-0.4 -0.918 51.8 176.9-118.6 131.2 -6.1 0.9 -2.3 54 70 A S E -BC 177 66A 36 123,-2.4 123,-2.9 -2,-0.5 2,-0.4 -0.993 10.3-170.3-125.4 132.4 -4.6 4.3 -2.9 55 71 A V E -BC 176 65A 1 10,-1.7 10,-2.4 -2,-0.4 2,-0.4 -0.980 9.7-167.1-125.3 141.2 -6.0 6.7 -5.4 56 72 A T E -BC 175 64A 48 119,-2.8 119,-2.5 -2,-0.4 2,-0.5 -0.991 6.2-168.9-125.4 127.9 -4.7 10.0 -6.8 57 73 A L E BC 174 63A 26 6,-2.1 6,-2.8 -2,-0.4 117,-0.2 -0.939 360.0 360.0-117.3 126.0 -6.9 12.3 -8.8 58 74 A H 0 0 129 115,-2.8 4,-0.2 -2,-0.5 3,-0.1 -0.913 360.0 360.0-122.8 360.0 -5.4 15.2 -10.7 59 ! 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 60 76 A D 0 0 117 0, 0.0 19,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 105.4 -8.4 21.1 -10.2 61 77 A G - 0 0 27 -3,-0.1 2,-0.4 17,-0.1 19,-0.2 -0.353 360.0 -69.2 65.8-146.1 -5.4 20.6 -7.8 62 78 A A E - D 0 79A 30 17,-2.6 17,-2.9 -4,-0.2 2,-0.3 -0.997 38.1-159.4-147.5 144.0 -5.0 17.1 -6.6 63 79 A S E -CD 57 78A 9 -6,-2.8 -6,-2.1 -2,-0.4 2,-0.4 -0.880 6.4-153.8-121.9 150.3 -6.8 14.6 -4.3 64 80 A T E -CD 56 77A 45 13,-2.4 13,-2.2 -2,-0.3 2,-0.5 -0.994 8.4-172.8-118.3 132.0 -5.6 11.5 -2.5 65 81 A L E -CD 55 76A 0 -10,-2.4 -10,-1.7 -2,-0.4 2,-0.5 -0.929 14.9-179.4-126.2 100.2 -8.3 8.9 -1.7 66 82 A D E -CD 54 75A 29 9,-2.7 9,-3.2 -2,-0.5 2,-0.2 -0.899 25.3-135.4-112.1 126.4 -6.7 6.3 0.5 67 83 A E E - D 0 74A 15 -14,-3.0 -16,-2.6 -2,-0.5 7,-0.2 -0.553 26.6-138.7 -72.0 137.6 -8.4 3.2 1.8 68 84 A T - 0 0 3 5,-2.9 -16,-0.4 2,-0.4 -18,-0.3 -0.193 36.9 -85.7 -80.5-176.2 -7.5 2.8 5.5 69 85 A A S S+ 0 0 57 -21,-2.3 -20,-0.1 -18,-0.2 -19,-0.1 0.660 116.7 77.0 -67.2 -13.4 -6.7 -0.6 7.0 70 86 A F S > S- 0 0 25 -22,-0.4 3,-2.1 3,-0.2 -2,-0.4 -0.889 91.8-123.2-100.5 108.7 -10.5 -1.0 7.5 71 87 A P T 3 S+ 0 0 37 0, 0.0 159,-0.1 0, 0.0 3,-0.1 -0.247 97.2 26.2 -53.3 137.2 -12.3 -1.9 4.3 72 88 A G T 3 S+ 0 0 0 22,-0.2 21,-1.9 1,-0.2 2,-0.6 0.335 98.8 103.5 90.1 -7.9 -15.0 0.7 3.4 73 89 A V E < - E 0 92A 0 -3,-2.1 -5,-2.9 19,-0.2 2,-0.4 -0.951 50.2-177.2-113.9 114.1 -13.3 3.5 5.3 74 90 A W E -DE 67 91A 0 17,-2.7 17,-2.7 -2,-0.6 2,-0.6 -0.905 21.8-145.2-116.6 142.7 -11.5 6.0 3.2 75 91 A W E -DE 66 90A 3 -9,-3.2 -9,-2.7 -2,-0.4 2,-0.4 -0.922 23.3-168.1-108.2 119.4 -9.3 9.0 4.0 76 92 A I E +DE 65 89A 1 13,-3.3 13,-2.2 -2,-0.6 2,-0.4 -0.885 11.8 175.2-114.1 133.3 -9.8 11.8 1.5 77 93 A I E -DE 64 88A 16 -13,-2.2 -13,-2.4 -2,-0.4 2,-0.5 -0.988 8.8-166.7-135.3 127.5 -7.7 15.0 1.1 78 94 A H E -DE 63 87A 37 9,-2.6 8,-2.4 -2,-0.4 9,-1.1 -0.973 6.9-171.8-111.7 132.0 -8.0 17.6 -1.7 79 95 A R E -DE 62 85A 120 -17,-2.9 -17,-2.6 -2,-0.5 6,-0.2 -0.951 18.7-129.1-116.1 142.6 -5.3 20.2 -2.2 80 96 A N > - 0 0 52 4,-2.4 3,-2.0 -2,-0.4 -18,-0.1 -0.139 45.2 -83.9 -75.4-178.5 -5.5 23.2 -4.5 81 97 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.766 132.1 53.9 -64.7 -22.7 -2.9 24.0 -7.0 82 98 A Q T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.477 120.6-107.4 -85.3 -7.2 -0.8 25.8 -4.3 83 99 A G S < S+ 0 0 29 -3,-2.0 2,-0.1 1,-0.3 -2,-0.1 0.315 71.1 142.8 95.8 -3.5 -0.9 22.7 -2.0 84 100 A A - 0 0 51 -5,-0.1 -4,-2.4 1,-0.1 2,-0.4 -0.447 56.3-117.0 -73.0 135.5 -3.4 24.1 0.5 85 101 A V E + E 0 79A 62 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.638 32.2 178.3 -74.0 121.0 -5.9 21.5 1.8 86 102 A T E S+ 0 0 84 -8,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.660 70.9 1.5 -92.7 -27.3 -9.4 22.6 0.8 87 103 A T E - E 0 78A 42 -9,-1.1 -9,-2.6 2,-0.0 -1,-0.4 -0.953 55.5-174.6-159.3 145.1 -11.1 19.6 2.4 88 104 A Q E + E 0 77A 34 -2,-0.3 -56,-1.8 -11,-0.2 2,-0.3 -0.978 27.1 148.0-140.7 130.5 -10.1 16.5 4.4 89 105 A F E - E 0 76A 33 -13,-2.2 -13,-3.3 -2,-0.4 2,-0.4 -0.988 45.5-114.1-161.4 160.6 -12.7 13.9 5.3 90 106 A I E -AE 29 75A 1 -61,-2.5 -61,-2.1 -2,-0.3 2,-0.5 -0.829 27.6-160.6 -97.2 136.5 -13.5 10.3 6.0 91 107 A E E -AE 28 74A 18 -17,-2.7 -17,-2.7 -2,-0.4 2,-0.7 -0.995 5.5-157.9-121.0 121.3 -15.8 8.6 3.4 92 108 A V E +AE 27 73A 0 -65,-2.8 -65,-2.1 -2,-0.5 2,-0.3 -0.933 48.4 114.5 -99.6 110.7 -17.6 5.4 4.5 93 109 A A S S- 0 0 4 -21,-1.9 129,-0.1 -2,-0.7 -21,-0.1 -0.981 79.1-106.4-169.0 160.3 -18.4 3.8 1.2 94 110 A F S S- 0 0 45 1,-0.3 128,-3.1 -2,-0.3 -22,-0.2 0.844 110.6 -7.5 -70.8 -29.5 -17.7 0.8 -1.0 95 111 A V S S- 0 0 11 126,-0.2 -1,-0.3 -23,-0.1 2,-0.1 -0.948 89.4 -95.9-159.6 142.1 -15.7 3.1 -3.3 96 112 A P >> - 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