==== 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 CHAPERONE 17-DEC-08 2KC5 . COMPND 2 MOLECULE: HYDROGENASE-2 OPERON PROTEIN HYBE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.JIN,X.SHAO,J.LU,Y.LI . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 50.6 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 . 39 24.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 0 0 0 1 0 0 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 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 169 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.0 -11.8 8.8 -25.8 2 2 A T + 0 0 122 73,-0.0 2,-0.3 2,-0.0 0, 0.0 0.694 360.0 91.8 -82.6 -21.9 -8.8 6.7 -26.9 3 3 A E + 0 0 104 73,-0.1 73,-2.1 2,-0.0 2,-0.3 -0.632 53.6 156.6 -88.7 133.5 -8.4 4.6 -23.7 4 4 A E E -A 75 0A 109 71,-0.3 2,-0.4 -2,-0.3 72,-0.1 -0.907 40.4-128.1-148.8 164.4 -10.3 1.3 -23.6 5 5 A I E -A 74 0A 28 69,-2.6 69,-1.9 -2,-0.3 2,-0.2 -0.996 33.0-130.2-119.4 126.0 -10.5 -2.2 -22.0 6 6 A A E -A 73 0A 68 -2,-0.4 67,-0.2 67,-0.2 2,-0.0 -0.536 28.6-101.3 -76.7 145.3 -10.7 -5.1 -24.5 7 7 A G - 0 0 10 65,-2.4 2,-0.3 -2,-0.2 64,-0.3 -0.302 35.7-117.7 -63.0 146.2 -13.4 -7.8 -24.1 8 8 A F - 0 0 34 60,-2.5 3,-0.1 61,-0.2 44,-0.1 -0.690 4.6-148.2 -89.6 139.8 -12.4 -11.1 -22.6 9 9 A Q S S- 0 0 148 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.896 86.7 -18.1 -71.4 -38.9 -12.8 -14.3 -24.6 10 10 A T S S- 0 0 90 59,-0.1 -1,-0.3 -3,-0.1 42,-0.0 -0.929 95.3 -65.1-155.1 166.2 -13.5 -16.1 -21.2 11 11 A S - 0 0 14 -2,-0.3 2,-1.8 42,-0.2 3,-0.3 -0.248 38.3-124.4 -54.1 141.0 -12.9 -15.3 -17.5 12 12 A P > + 0 0 6 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.282 55.4 155.5 -75.9 49.4 -9.3 -14.9 -16.2 13 13 A K H > + 0 0 84 -2,-1.8 4,-2.4 1,-0.2 5,-0.1 0.869 64.9 47.0 -54.2 -46.1 -10.4 -17.6 -13.6 14 14 A A H > S+ 0 0 62 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.889 113.1 48.7 -63.5 -42.0 -6.9 -19.0 -12.9 15 15 A Q H > S+ 0 0 90 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.917 111.2 49.1 -71.8 -40.2 -5.3 -15.6 -12.5 16 16 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.945 114.6 48.3 -58.2 -45.7 -8.1 -14.4 -10.1 17 17 A Q H X S+ 0 0 69 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.953 113.9 43.1 -61.2 -53.9 -7.5 -17.7 -8.2 18 18 A A H X S+ 0 0 66 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.886 115.0 50.0 -65.0 -39.2 -3.7 -17.5 -8.0 19 19 A A H X S+ 0 0 18 -4,-2.5 4,-2.8 -5,-0.2 3,-0.4 0.954 113.6 45.2 -63.3 -47.5 -3.8 -13.7 -7.1 20 20 A F H X S+ 0 0 20 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.795 105.6 61.4 -70.7 -24.4 -6.3 -14.4 -4.3 21 21 A E H < S+ 0 0 72 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.896 112.6 38.8 -62.1 -37.3 -4.3 -17.4 -3.1 22 22 A E H >X S+ 0 0 79 -4,-1.5 4,-2.6 -3,-0.4 3,-1.2 0.930 114.0 51.7 -80.5 -45.2 -1.5 -14.9 -2.5 23 23 A I H 3< S+ 0 0 63 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.851 107.4 55.4 -61.9 -31.9 -3.7 -12.1 -1.1 24 24 A A T 3< S+ 0 0 14 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.739 111.9 43.8 -70.0 -24.7 -5.2 -14.6 1.3 25 25 A R T <4 S+ 0 0 54 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.831 92.2 93.8 -83.7 -41.6 -1.7 -15.4 2.6 26 26 A R < + 0 0 118 -4,-2.6 2,-0.3 7,-0.1 7,-0.1 -0.428 47.6 153.5 -59.8 119.0 -0.6 -11.7 2.7 27 27 A S - 0 0 57 -2,-0.3 5,-0.1 2,-0.1 2,-0.1 -0.919 28.5-149.1-154.8 114.4 -1.3 -10.6 6.3 28 28 A M > + 0 0 175 -2,-0.3 3,-0.6 3,-0.1 4,-0.1 -0.287 55.1 26.3 -83.7 172.3 0.7 -7.7 7.9 29 29 A H G > S- 0 0 160 1,-0.2 3,-2.4 2,-0.2 -2,-0.1 -0.076 118.7 -31.3 63.0-169.0 1.8 -7.1 11.5 30 30 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.548 124.0 78.2 -64.0 -8.5 2.2 -9.8 14.3 31 31 A L G < S- 0 0 117 -3,-0.6 -1,-0.3 3,-0.0 3,-0.3 0.814 92.9-152.1 -61.1 -31.0 -0.5 -12.0 12.6 32 32 A S < - 0 0 60 -3,-2.4 2,-2.0 1,-0.1 -4,-0.1 0.405 29.1 -76.1 61.7 157.6 2.3 -12.9 10.1 33 33 A F + 0 0 134 -7,-0.1 -1,-0.1 -4,-0.0 -7,-0.1 -0.362 67.0 175.1 -81.9 56.3 1.8 -14.0 6.4 34 34 A L - 0 0 117 -2,-2.0 -2,-0.0 -3,-0.3 -3,-0.0 -0.312 38.1 -93.9 -61.7 149.7 0.6 -17.5 7.4 35 35 A H - 0 0 132 1,-0.1 -1,-0.1 2,-0.0 -13,-0.1 -0.232 36.0-109.5 -66.5 157.8 -0.7 -19.8 4.5 36 36 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.753 28.3-155.9 -65.8 -29.1 -4.5 -19.8 3.8 37 37 A S S S+ 0 0 106 22,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.535 78.2 67.7 60.1 10.6 -5.1 -23.4 5.2 38 38 A M S S- 0 0 20 81,-0.1 2,-0.2 82,-0.0 81,-0.0 -0.852 94.0-118.0-155.6 110.6 -8.2 -23.4 2.8 39 39 A P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 18,-0.0 -0.365 27.2-128.7 -55.5 121.3 -7.7 -23.5 -1.0 40 40 A V - 0 0 4 -2,-0.2 2,-0.3 -23,-0.1 18,-0.2 -0.449 32.5-169.8 -65.6 148.3 -9.2 -20.3 -2.6 41 41 A Y E -B 57 0B 41 16,-2.2 16,-2.8 -2,-0.1 2,-0.4 -0.931 15.0-153.3-143.1 157.8 -11.5 -21.3 -5.6 42 42 A V E -B 56 0B 2 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.990 6.3-151.4-139.0 126.6 -13.3 -19.4 -8.4 43 43 A S E -B 55 0B 6 12,-2.7 12,-1.2 -2,-0.4 2,-0.4 -0.703 10.0-159.6 -89.0 150.7 -16.5 -20.4 -10.3 44 44 A D E +B 54 0B 73 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.998 26.2 142.3-132.6 132.8 -17.0 -19.3 -13.9 45 45 A F E -B 53 0B 19 8,-2.5 8,-1.2 -2,-0.4 3,-0.3 -0.945 35.8 -2.5-169.9 145.8 -20.5 -19.1 -15.5 46 46 A T E - 0 0 65 -2,-0.3 7,-1.9 6,-0.2 -1,-0.3 0.471 61.3-101.9 58.5 165.1 -22.9 -17.3 -17.9 47 47 A L E > +B 52 0B 74 5,-0.2 3,-1.6 19,-0.0 5,-0.3 -0.555 50.7 179.8-115.8 58.3 -22.7 -14.1 -19.9 48 48 A F E > S+B 51 0B 31 3,-0.6 3,-1.9 -3,-0.3 21,-0.1 -0.437 70.9 2.1 -71.9 137.2 -24.8 -11.9 -17.5 49 49 A E T 3 S- 0 0 96 1,-0.3 -1,-0.3 -2,-0.1 20,-0.1 0.716 134.0 -64.1 55.1 22.9 -25.3 -8.3 -18.6 50 50 A G T < S+ 0 0 28 -3,-1.6 19,-0.9 1,-0.3 2,-0.3 0.709 120.1 104.9 76.1 20.6 -23.3 -9.4 -21.7 51 51 A Q E < S-BC 48 68B 7 -3,-1.9 -3,-0.6 17,-0.2 -1,-0.3 -0.966 81.6 -99.2-135.8 143.1 -20.2 -10.0 -19.5 52 52 A W E -BC 47 67B 53 15,-2.1 15,-2.2 -2,-0.3 -5,-0.2 -0.464 43.0-145.5 -65.7 135.4 -18.7 -13.3 -18.2 53 53 A T E +BC 45 66B 0 -7,-1.9 -8,-2.5 -8,-1.2 2,-0.3 -0.629 28.2 149.4-103.1 160.1 -19.8 -14.1 -14.6 54 54 A G E -BC 44 65B 0 11,-1.6 11,-2.7 -10,-0.3 2,-0.3 -0.969 29.1-140.9-169.3 168.8 -17.9 -15.7 -11.8 55 55 A C E -BC 43 64B 0 -12,-1.2 -12,-2.7 9,-0.3 2,-0.4 -0.983 12.4-151.2-136.0 146.8 -17.6 -15.8 -8.0 56 56 A V E -BC 42 63B 0 7,-3.0 7,-2.2 -2,-0.3 2,-0.4 -0.930 8.9-166.5-111.8 143.5 -14.3 -16.2 -5.9 57 57 A I E +BC 41 62B 0 -16,-2.8 -16,-2.2 -2,-0.4 5,-0.2 -0.983 13.8 163.2-123.8 141.6 -14.2 -17.8 -2.4 58 58 A T - 0 0 0 3,-2.8 -37,-0.1 -2,-0.4 -18,-0.1 -0.857 54.7-100.3-136.8 173.8 -11.3 -17.6 -0.0 59 59 A P S S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 59,-0.0 0.813 125.9 43.8 -62.9 -25.7 -11.1 -18.3 3.8 60 60 A W S S- 0 0 112 1,-0.1 2,-0.3 52,-0.1 54,-0.1 0.761 124.4 -5.2 -93.4 -26.6 -11.3 -14.5 4.2 61 61 A M - 0 0 10 51,-0.2 -3,-2.8 52,-0.1 2,-0.3 -0.940 45.0-139.8-157.0 170.2 -14.1 -13.5 1.7 62 62 A L E +CD 57 111B 0 49,-1.8 48,-3.1 -2,-0.3 49,-1.6 -0.953 32.1 173.3-137.6 128.0 -16.6 -14.5 -1.0 63 63 A S E -CD 56 109B 12 -7,-2.2 -7,-3.0 -2,-0.3 46,-0.2 -0.997 31.7-125.0-140.7 137.5 -17.1 -12.0 -3.9 64 64 A A E -CD 55 108B 0 44,-2.2 44,-2.0 -2,-0.4 2,-0.3 -0.583 31.1-165.2 -71.6 146.8 -18.9 -12.0 -7.2 65 65 A V E -CD 54 107B 1 -11,-2.7 -11,-1.6 42,-0.2 2,-0.3 -0.979 8.0-173.4-138.5 144.2 -16.6 -11.2 -10.2 66 66 A I E -CD 53 106B 2 40,-1.9 40,-2.8 -2,-0.3 -13,-0.2 -0.994 5.1-163.4-142.7 141.9 -17.5 -10.1 -13.8 67 67 A F E -C 52 0B 1 -15,-2.2 -15,-2.1 -2,-0.3 38,-0.1 -0.991 37.0 -94.7-130.3 133.8 -15.4 -9.6 -16.9 68 68 A P E -C 51 0B 3 0, 0.0 -60,-2.5 0, 0.0 -17,-0.2 -0.156 51.6-111.0 -47.8 137.8 -16.4 -7.7 -20.2 69 69 A G - 0 0 0 -19,-0.9 3,-0.4 -62,-0.2 -61,-0.2 0.042 46.4 -60.8 -71.6 179.1 -17.8 -10.2 -22.8 70 70 A P S S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 -0.316 114.0 7.9 -69.7 145.1 -16.2 -11.3 -26.1 71 71 A D S S+ 0 0 153 -64,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.938 93.5 135.4 50.6 57.7 -15.4 -8.7 -28.9 72 72 A Q - 0 0 37 -3,-0.4 -65,-2.4 -4,-0.1 2,-0.4 -0.955 46.5-153.9-128.8 148.9 -16.3 -5.6 -26.8 73 73 A L E -A 6 0A 99 -2,-0.3 -67,-0.2 -67,-0.2 0, 0.0 -0.827 21.1-176.0-124.3 83.0 -14.4 -2.3 -26.4 74 74 A W E -A 5 0A 100 -69,-1.9 -69,-2.6 -2,-0.4 2,-0.1 -0.517 33.2-103.9 -68.7 150.9 -15.4 -0.9 -23.0 75 75 A P E -A 4 0A 65 0, 0.0 -71,-0.3 0, 0.0 2,-0.3 -0.394 43.7 -92.6 -66.3 155.2 -14.0 2.6 -22.2 76 76 A L - 0 0 67 -73,-2.1 2,-0.2 -72,-0.1 -73,-0.1 -0.572 49.3-161.0 -63.8 129.3 -11.0 2.8 -19.7 77 77 A R - 0 0 103 -2,-0.3 2,-0.2 -3,-0.1 -73,-0.0 -0.708 18.2-114.4-104.6 163.4 -12.5 3.2 -16.2 78 78 A K > - 0 0 162 -2,-0.2 3,-0.9 1,-0.1 18,-0.2 -0.614 43.8 -99.3 -89.5 157.2 -10.7 4.4 -13.1 79 79 A V T 3 S+ 0 0 53 -2,-0.2 18,-0.2 1,-0.2 3,-0.1 -0.466 102.4 25.7 -86.5 153.4 -10.3 1.9 -10.3 80 80 A S T 3 S+ 0 0 98 16,-3.0 -1,-0.2 1,-0.3 2,-0.1 0.527 88.8 133.5 65.8 11.8 -12.6 1.7 -7.3 81 81 A E < - 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