==== 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 BIOSYNTHETIC PROTEIN 28-SEP-06 2IIH . COMPND 2 MOLECULE: MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,C.VASUKI RANJANI,K.SEKAR,S.BABA,L . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 67.1 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 . 37 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 0 0 0 0 0 1 0 1 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 1 0 0 0 0 0 1 1 0 0 1 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 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 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 10 A R 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 10.3 -22.2 7.8 2 11 A P + 0 0 111 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.261 360.0 167.9 -62.3 151.8 10.1 -18.4 7.9 3 12 A R - 0 0 133 3,-0.0 2,-1.2 2,-0.0 61,-0.1 -0.969 44.9-113.8-165.4 148.5 8.1 -16.8 10.7 4 13 A M - 0 0 90 -2,-0.3 3,-0.1 61,-0.1 61,-0.1 -0.775 53.5-117.3 -87.2 99.0 7.4 -13.5 12.4 5 14 A V - 0 0 91 -2,-1.2 2,-0.5 59,-0.2 -1,-0.0 0.002 26.1-113.0 -38.2 133.2 8.9 -14.3 15.8 6 15 A D + 0 0 110 1,-0.1 -1,-0.1 2,-0.0 3,-0.0 -0.622 47.7 157.5 -78.0 122.5 6.4 -14.3 18.6 7 16 A V > + 0 0 20 -2,-0.5 3,-0.5 -3,-0.1 -1,-0.1 0.019 34.2 117.8-131.0 23.3 7.0 -11.4 21.0 8 17 A T T 3 S+ 0 0 106 1,-0.2 -1,-0.1 89,-0.0 -2,-0.0 0.860 76.9 50.3 -61.2 -37.7 3.5 -11.1 22.5 9 18 A E T 3 S+ 0 0 192 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.711 91.6 96.3 -75.1 -21.7 4.7 -12.0 26.0 10 19 A K S < S- 0 0 117 -3,-0.5 87,-0.1 1,-0.1 -3,-0.1 -0.365 81.2-107.9 -69.9 149.8 7.5 -9.4 25.9 11 20 A P - 0 0 91 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.331 28.4-104.9 -76.6 160.0 6.9 -6.0 27.5 12 21 A E + 0 0 109 83,-0.1 2,-0.3 85,-0.1 85,-0.2 -0.757 54.1 165.8 -89.0 103.6 6.4 -2.8 25.6 13 22 A T E -A 96 0A 50 83,-2.2 83,-2.4 -2,-0.9 2,-0.4 -0.753 42.7 -86.9-118.5 166.0 9.6 -0.8 26.0 14 23 A F E -A 95 0A 168 81,-0.3 2,-0.3 -2,-0.3 81,-0.3 -0.579 46.8-174.0 -75.9 122.7 11.3 2.2 24.5 15 24 A R E +A 94 0A 28 79,-3.3 79,-1.9 -2,-0.4 2,-0.3 -0.867 8.3 177.9-118.2 151.0 13.3 1.4 21.4 16 25 A T E -AB 93 137A 32 121,-1.7 121,-2.0 -2,-0.3 2,-0.3 -0.989 2.6-178.3-148.9 150.7 15.6 3.5 19.2 17 26 A A E -AB 92 136A 0 75,-1.8 75,-2.4 -2,-0.3 2,-0.4 -0.983 6.4-165.9-152.8 142.0 17.8 2.8 16.2 18 27 A T E +AB 91 135A 28 117,-2.8 116,-3.4 -2,-0.3 117,-1.9 -0.998 15.0 166.5-133.0 130.8 20.2 4.9 14.1 19 28 A A E -AB 90 133A 0 71,-2.2 71,-2.4 -2,-0.4 2,-0.3 -0.843 13.9-156.5-135.0 171.9 21.6 4.0 10.7 20 29 A E E -AB 89 132A 16 112,-2.4 112,-2.5 -2,-0.3 2,-0.3 -0.967 5.1-170.9-148.4 161.7 23.4 5.7 7.8 21 30 A A E -A 88 0A 0 67,-2.1 67,-3.0 -2,-0.3 2,-0.3 -0.962 10.9-146.8-149.0 159.0 24.1 5.3 4.1 22 31 A F E -AB 87 129A 8 107,-2.1 107,-3.0 -2,-0.3 2,-0.5 -0.973 5.5-156.9-134.1 148.1 26.3 7.0 1.5 23 32 A V E -AB 86 128A 0 63,-1.9 63,-2.3 -2,-0.3 2,-0.5 -0.995 21.2-140.7-121.9 120.4 26.1 7.9 -2.1 24 33 A E E -AB 85 127A 62 103,-2.5 103,-0.7 -2,-0.5 2,-0.3 -0.736 21.7-146.7 -85.6 126.2 29.4 8.3 -3.8 25 34 A L - 0 0 14 59,-2.6 2,-0.2 -2,-0.5 -1,-0.0 -0.686 8.2-145.5-100.1 145.8 29.4 11.2 -6.3 26 35 A T > - 0 0 49 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.479 40.7-102.0 -90.7 170.1 31.2 11.8 -9.6 27 36 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 124.7 54.7 -63.0 -35.7 32.2 15.3 -10.5 28 37 A E H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 110.3 45.0 -62.4 -43.6 29.2 15.5 -12.8 29 38 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 112.4 51.1 -68.6 -40.0 26.8 14.5 -10.1 30 39 A L H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.938 108.3 51.7 -62.8 -46.8 28.4 16.9 -7.5 31 40 A S H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.1 51.0 -56.7 -39.8 28.1 19.8 -9.9 32 41 A A H ><>S+ 0 0 9 -4,-1.6 5,-2.6 1,-0.2 3,-1.2 0.901 109.1 49.4 -65.5 -42.8 24.4 19.0 -10.4 33 42 A L H ><5S+ 0 0 10 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.784 102.8 60.9 -68.7 -28.2 23.7 18.9 -6.6 34 43 A E T 3<5S+ 0 0 96 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.490 109.2 44.6 -78.0 -1.2 25.4 22.2 -6.0 35 44 A K T < 5S- 0 0 149 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.440 125.0 -94.4-118.5 -6.3 22.9 23.8 -8.3 36 45 A G T < 5S- 0 0 28 -3,-0.5 2,-0.2 -4,-0.5 4,-0.2 0.485 76.8 -60.5 105.3 4.6 19.7 22.1 -7.1 37 46 A G < - 0 0 15 -5,-2.6 5,-0.1 -6,-0.2 82,-0.1 -0.733 62.7 -70.0 120.8-170.6 19.5 19.2 -9.5 38 47 A V S S- 0 0 63 80,-0.4 -1,-0.1 3,-0.3 -5,-0.1 -0.452 95.7 -53.9-124.6 58.1 19.2 18.6 -13.3 39 48 A G S S+ 0 0 83 -2,-0.1 -2,-0.1 2,-0.0 3,-0.0 0.985 124.1 76.1 72.5 61.8 15.7 19.7 -14.1 40 49 A K S S- 0 0 112 -4,-0.2 2,-0.2 1,-0.1 -3,-0.1 0.329 98.9 -81.6-172.9 -10.5 13.7 17.7 -11.6 41 50 A G - 0 0 36 -5,-0.2 -3,-0.3 77,-0.1 3,-0.1 -0.495 65.7 -42.9 118.3 170.6 14.0 19.2 -8.2 42 51 A D > - 0 0 63 -2,-0.2 4,-2.2 1,-0.2 3,-0.4 -0.636 45.8-156.1 -77.7 110.7 16.4 19.2 -5.3 43 52 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.859 91.0 53.3 -53.8 -40.4 17.6 15.6 -4.8 44 53 A L H > S+ 0 0 30 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.878 110.9 45.9 -65.7 -38.0 18.5 16.1 -1.1 45 54 A V H > S+ 0 0 82 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.934 115.2 44.5 -70.4 -48.8 15.1 17.5 -0.2 46 55 A V H X S+ 0 0 64 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.888 113.6 52.1 -63.9 -39.0 13.1 14.8 -2.0 47 56 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.870 103.8 56.7 -65.9 -38.3 15.3 12.1 -0.6 48 57 A Q H X S+ 0 0 58 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.916 110.9 43.2 -61.4 -43.7 14.9 13.2 3.0 49 58 A L H X S+ 0 0 96 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.882 108.8 57.8 -70.5 -36.8 11.2 12.9 2.8 50 59 A A H X S+ 0 0 19 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.863 104.0 55.1 -60.6 -34.2 11.4 9.6 1.0 51 60 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.906 107.3 47.2 -65.1 -42.9 13.3 8.3 3.9 52 61 A I H X S+ 0 0 46 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.937 114.3 47.4 -64.5 -46.2 10.6 9.3 6.5 53 62 A L H X S+ 0 0 82 -4,-2.4 4,-1.1 1,-0.2 3,-0.2 0.912 110.2 53.5 -60.4 -42.8 8.0 7.7 4.3 54 63 A A H X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.852 101.1 59.3 -61.5 -37.6 10.1 4.6 3.9 55 64 A A H >< S+ 0 0 2 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.913 107.1 47.4 -58.5 -42.2 10.5 4.2 7.6 56 65 A K H 3< S+ 0 0 142 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.762 112.4 49.8 -71.0 -23.8 6.7 3.9 8.0 57 66 A K H >X S+ 0 0 113 -4,-1.1 3,-1.3 -3,-0.3 4,-1.0 0.426 79.8 106.0 -94.0 0.1 6.5 1.4 5.1 58 67 A T H XX S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.7 3,-0.9 0.853 74.2 52.3 -48.0 -50.3 9.2 -0.9 6.5 59 68 A A H 34 S+ 0 0 30 -4,-0.3 -1,-0.3 -3,-0.3 6,-0.2 0.756 107.3 55.1 -62.6 -23.5 7.0 -3.7 7.7 60 69 A D H <4 S+ 0 0 147 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.757 114.5 39.5 -79.7 -24.5 5.4 -3.9 4.2 61 70 A L H << S+ 0 0 99 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.1 0.788 106.9 62.9 -94.1 -34.8 8.8 -4.3 2.5 62 71 A I S >< S- 0 0 40 -4,-2.5 3,-1.7 1,-0.1 -1,-0.2 -0.857 77.7-146.6 -99.2 106.7 10.6 -6.7 4.9 63 72 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 0.791 91.8 32.5 -37.1 -56.5 8.7 -10.0 5.0 64 73 A L T 3 S+ 0 0 84 -61,-0.1 -59,-0.2 2,-0.1 2,-0.1 0.388 90.0 124.5 -92.3 6.8 9.2 -11.1 8.7 65 74 A C < - 0 0 16 -3,-1.7 -61,-0.1 -6,-0.2 -3,-0.0 -0.383 64.0-117.6 -69.6 139.1 9.3 -7.6 10.1 66 75 A H - 0 0 34 33,-0.2 2,-0.4 -2,-0.1 -7,-0.1 -0.604 25.3-120.5 -79.4 130.2 6.9 -6.7 13.0 67 76 A P + 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.564 43.0 176.4 -71.1 126.6 4.3 -3.9 12.2 68 77 A L - 0 0 36 -2,-0.4 2,-0.6 -12,-0.1 -9,-0.1 -0.978 36.2-119.7-136.7 146.4 4.9 -1.2 14.7 69 78 A P - 0 0 97 0, 0.0 26,-0.5 0, 0.0 2,-0.3 -0.742 36.7-140.1 -83.3 122.0 3.4 2.3 15.4 70 79 A L - 0 0 43 -2,-0.6 24,-0.2 24,-0.1 3,-0.1 -0.635 19.8-171.7 -84.8 140.2 6.4 4.7 15.1 71 80 A T S S+ 0 0 111 22,-2.0 2,-0.3 1,-0.3 23,-0.2 0.480 71.3 18.1-107.0 -6.1 6.7 7.6 17.6 72 81 A G E +C 93 0A 20 21,-1.2 21,-2.3 2,-0.0 2,-0.3 -0.918 52.5 177.4-167.3 138.4 9.6 9.4 16.0 73 82 A V E +C 92 0A 30 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.945 5.2 176.7-146.7 121.5 11.5 9.6 12.7 74 83 A E E +C 91 0A 134 17,-2.4 17,-2.4 -2,-0.3 2,-0.4 -0.991 5.6 178.8-125.7 130.7 14.4 11.9 11.9 75 84 A V E -C 90 0A 12 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.999 6.3-170.7-134.9 135.6 16.2 11.8 8.6 76 85 A R E -C 89 0A 147 13,-2.6 13,-2.2 -2,-0.4 2,-0.5 -0.993 5.1-175.2-129.0 133.2 19.1 13.9 7.4 77 86 A V E +C 88 0A 15 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.917 19.0 171.4-128.2 102.5 20.5 14.1 3.9 78 87 A E E -C 87 0A 47 9,-2.3 9,-2.7 -2,-0.5 2,-0.4 -0.885 31.2-125.2-121.3 148.8 23.5 16.3 3.5 79 88 A L E -C 86 0A 29 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.727 13.1-163.9 -88.4 130.3 26.1 17.0 0.9 80 89 A L E >> -C 85 0A 29 5,-3.2 5,-2.0 -2,-0.4 4,-0.8 -0.815 11.1-176.8-114.7 85.4 29.8 16.5 1.8 81 90 A K T >45S+ 0 0 107 -2,-0.7 3,-1.2 1,-0.2 -1,-0.2 0.893 77.1 49.7 -49.4 -55.9 31.4 18.4 -1.0 82 91 A A T 345S+ 0 0 99 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.887 117.2 42.5 -55.0 -41.3 35.1 17.7 -0.2 83 92 A E T 345S- 0 0 107 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.541 103.8-133.0 -82.8 -6.9 34.4 14.0 0.2 84 93 A K T <<5 + 0 0 85 -3,-1.2 -59,-2.6 -4,-0.8 2,-0.3 0.944 66.9 124.6 51.4 50.9 32.2 14.1 -3.0 85 94 A R E < -AC 24 80A 56 -5,-2.0 -5,-3.2 -61,-0.2 2,-0.5 -0.984 60.2-142.2-142.5 147.5 29.7 12.1 -0.9 86 95 A V E -AC 23 79A 0 -63,-2.3 -63,-1.9 -2,-0.3 2,-0.5 -0.961 23.6-156.1-110.3 124.3 26.1 12.4 0.2 87 96 A R E -AC 22 78A 66 -9,-2.7 -9,-2.3 -2,-0.5 2,-0.4 -0.897 8.0-169.2-107.1 126.7 25.5 11.2 3.7 88 97 A I E +AC 21 77A 0 -67,-3.0 -67,-2.1 -2,-0.5 2,-0.4 -0.937 6.8 177.8-114.1 133.2 22.2 10.0 4.9 89 98 A E E -AC 20 76A 52 -13,-2.2 -13,-2.6 -2,-0.4 2,-0.4 -0.986 3.1-175.1-133.5 142.3 21.4 9.3 8.6 90 99 A A E -AC 19 75A 0 -71,-2.4 -71,-2.2 -2,-0.4 2,-0.5 -0.992 9.5-168.5-144.2 134.8 18.1 8.2 10.2 91 100 A T E -AC 18 74A 35 -17,-2.4 -17,-2.4 -2,-0.4 2,-0.4 -0.989 10.4-173.6-123.9 126.1 17.0 7.7 13.7 92 101 A V E -AC 17 73A 0 -75,-2.4 -75,-1.8 -2,-0.5 2,-0.3 -0.914 1.9-171.5-119.7 145.8 13.7 5.9 14.5 93 102 A K E +AC 16 72A 87 -21,-2.3 -22,-2.0 -2,-0.4 -21,-1.2 -0.937 14.4 141.6-135.6 158.1 11.9 5.5 17.8 94 103 A T E -A 15 0A 2 -79,-1.9 -79,-3.3 -2,-0.3 2,-0.5 -0.971 45.9-109.5-175.1 176.8 9.0 3.6 19.3 95 104 A K E +A 14 0A 78 -26,-0.5 -81,-0.3 -2,-0.3 2,-0.3 -0.966 64.3 115.9-125.8 108.0 7.6 1.7 22.3 96 105 A A E S-A 13 0A 1 -83,-2.4 -83,-2.2 -2,-0.5 -2,-0.1 -0.879 74.7 -97.5-156.6-172.4 7.3 -2.0 21.4 97 106 A E S S+ 0 0 43 -2,-0.3 2,-0.3 -85,-0.2 -85,-0.1 0.385 104.4 44.8 -98.8 -0.1 8.4 -5.6 21.9 98 107 A T S S- 0 0 21 -85,-0.1 -2,-0.1 41,-0.1 -83,-0.1 -0.930 88.2 -99.2-139.3 162.3 10.9 -5.5 19.0 99 108 A G - 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