==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 07-SEP-09 3JQK . COMPND 2 MOLECULE: MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.P.KANAUJIA,J.JEYAKANTHAN,N.NAKAGAWA,K.SEKAR,S.BABA,L.CHEN, . 143 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 68.5 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 . 38 26.6 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 . 7 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 0 0 0 0 0 2 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 0 2 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 0 265 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 10.4 -22.2 8.0 2 11 A P + 0 0 109 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.303 360.0 162.6 -62.7 146.5 10.1 -18.4 7.9 3 12 A R - 0 0 164 59,-0.0 2,-1.1 2,-0.0 59,-0.1 -0.974 47.5-113.5-164.6 150.1 8.1 -16.8 10.7 4 13 A M - 0 0 90 -2,-0.3 3,-0.1 59,-0.1 59,-0.1 -0.795 53.9-116.7 -87.2 103.4 7.4 -13.5 12.4 5 14 A V - 0 0 74 -2,-1.1 2,-0.4 57,-0.2 -1,-0.0 -0.100 25.6-112.2 -45.3 128.8 8.9 -14.3 15.8 6 15 A D + 0 0 114 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.518 48.5 156.4 -69.8 118.3 6.3 -14.3 18.7 7 16 A V > + 0 0 16 -2,-0.4 3,-1.7 -3,-0.1 -1,-0.1 0.061 33.9 118.4-128.0 19.9 7.0 -11.4 21.1 8 17 A T T 3 S+ 0 0 114 1,-0.3 -1,-0.1 87,-0.0 -2,-0.0 0.824 76.1 50.4 -57.8 -34.3 3.5 -11.2 22.4 9 18 A E T 3 S+ 0 0 191 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.326 89.3 98.8 -90.3 7.8 4.7 -12.0 26.0 10 19 A K S < S- 0 0 114 -3,-1.7 -3,-0.1 1,-0.1 86,-0.1 -0.733 80.2-106.6 -94.3 144.0 7.5 -9.4 26.0 11 20 A P - 0 0 98 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.199 33.1-104.0 -65.8 161.1 6.9 -6.0 27.8 12 21 A E + 0 0 123 81,-0.1 2,-0.3 83,-0.1 83,-0.2 -0.785 53.8 171.2 -88.6 112.0 6.4 -2.8 25.8 13 22 A T E -A 94 0A 52 81,-2.1 81,-2.4 -2,-0.8 2,-0.3 -0.856 40.2 -88.0-126.3 161.7 9.7 -0.8 26.0 14 23 A F E -A 93 0A 126 -2,-0.3 2,-0.3 79,-0.2 79,-0.2 -0.475 48.1-174.7 -65.9 119.6 11.4 2.3 24.6 15 24 A R E +A 92 0A 21 77,-3.4 77,-1.9 -2,-0.3 2,-0.3 -0.903 9.0 175.2-120.1 148.1 13.3 1.4 21.4 16 25 A T E -AB 91 135A 16 119,-1.7 119,-2.0 -2,-0.3 2,-0.3 -0.993 4.2-178.1-149.0 150.2 15.6 3.5 19.2 17 26 A A E -AB 90 134A 0 73,-1.9 73,-2.4 -2,-0.3 2,-0.4 -0.984 6.3-166.3-152.3 140.7 17.8 2.8 16.2 18 27 A T E +AB 89 133A 26 115,-3.0 114,-3.4 -2,-0.3 115,-2.0 -0.997 14.9 166.9-131.8 130.4 20.2 4.9 14.1 19 28 A A E -AB 88 131A 0 69,-2.3 69,-2.4 -2,-0.4 2,-0.3 -0.841 13.7-156.9-134.3 170.9 21.6 4.0 10.7 20 29 A E E -AB 87 130A 15 110,-2.3 110,-2.4 -2,-0.3 2,-0.3 -0.962 5.6-172.3-147.5 162.3 23.4 5.7 7.8 21 30 A A E -AB 86 129A 0 65,-2.2 65,-3.1 -2,-0.3 2,-0.3 -0.970 10.6-146.8-151.4 159.1 24.1 5.3 4.1 22 31 A F E -AB 85 128A 7 106,-1.7 105,-0.8 -2,-0.3 106,-0.6 -0.965 6.3-157.2-133.6 150.3 26.3 7.0 1.5 23 32 A V E -AB 84 126A 0 61,-1.8 61,-2.4 -2,-0.3 2,-0.5 -0.993 22.0-140.2-125.1 118.4 26.1 7.8 -2.2 24 33 A E E -AB 83 125A 58 101,-2.4 101,-0.7 -2,-0.5 2,-0.3 -0.713 22.2-146.8 -83.1 125.0 29.4 8.3 -3.8 25 34 A L - 0 0 9 57,-2.5 2,-0.2 -2,-0.5 -1,-0.0 -0.650 8.3-145.5 -98.8 148.1 29.4 11.2 -6.3 26 35 A T > - 0 0 49 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.514 40.7-102.1 -94.0 170.5 31.2 11.8 -9.6 27 36 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.892 124.8 55.2 -63.1 -35.9 32.2 15.4 -10.5 28 37 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 110.6 43.2 -59.8 -48.4 29.2 15.5 -12.8 29 38 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.884 112.1 54.0 -65.9 -40.1 26.7 14.5 -10.1 30 39 A L H X S+ 0 0 10 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.926 107.8 50.1 -60.8 -45.8 28.4 16.9 -7.6 31 40 A S H X S+ 0 0 36 -4,-2.4 4,-1.5 1,-0.2 3,-0.5 0.953 111.1 49.5 -56.8 -51.1 28.0 19.8 -9.9 32 41 A A H >X S+ 0 0 45 -4,-2.0 4,-1.0 1,-0.3 3,-0.5 0.919 109.3 51.0 -54.4 -48.9 24.3 19.0 -10.4 33 42 A L H 3< S+ 0 0 11 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.796 108.6 52.8 -61.3 -28.6 23.7 18.7 -6.7 34 43 A E H 3< S+ 0 0 82 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.777 107.4 50.9 -77.8 -26.5 25.3 22.1 -6.2 35 44 A K H << 0 0 158 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.638 360.0 360.0 -81.7 -15.2 23.0 23.6 -8.8 36 45 A G < 0 0 42 -4,-1.0 -3,-0.2 -5,-0.2 3,-0.2 0.718 360.0 360.0 104.1 360.0 20.1 22.1 -7.0 37 ! 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 38 49 A K 0 0 180 0, 0.0 2,-0.2 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 -10.3 13.6 17.8 -11.6 39 50 A G - 0 0 40 -3,-0.2 3,-0.1 77,-0.1 -3,-0.0 -0.483 360.0 -46.4 120.2 168.3 13.9 19.1 -8.1 40 51 A D > - 0 0 66 -2,-0.2 4,-2.2 1,-0.2 3,-0.4 -0.640 45.0-154.2 -76.8 110.8 16.4 19.2 -5.2 41 52 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.867 92.0 52.1 -52.6 -41.5 17.7 15.6 -4.7 42 53 A L H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.869 110.9 46.4 -66.4 -37.2 18.5 16.1 -1.1 43 54 A V H > S+ 0 0 89 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.931 115.0 44.5 -71.8 -46.9 15.1 17.5 -0.2 44 55 A V H X S+ 0 0 66 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.908 113.7 51.3 -64.5 -40.7 13.1 14.8 -2.0 45 56 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.868 104.3 57.0 -64.4 -38.3 15.3 12.0 -0.6 46 57 A Q H X S+ 0 0 59 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.916 110.8 43.3 -60.5 -44.2 14.9 13.2 3.0 47 58 A L H X S+ 0 0 101 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.883 109.3 56.8 -69.6 -38.7 11.2 13.0 2.7 48 59 A A H X S+ 0 0 20 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.856 104.2 55.5 -61.0 -33.5 11.3 9.6 1.0 49 60 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.912 107.4 46.9 -65.2 -43.5 13.3 8.3 3.9 50 61 A I H X S+ 0 0 43 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.937 114.4 47.6 -63.5 -46.3 10.7 9.3 6.5 51 62 A L H X S+ 0 0 74 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.905 110.3 53.6 -60.6 -41.5 8.0 7.7 4.3 52 63 A A H X S+ 0 0 6 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.865 100.9 59.1 -62.9 -38.7 10.1 4.6 3.9 53 64 A A H >< S+ 0 0 1 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.905 107.0 48.1 -57.2 -41.6 10.5 4.2 7.6 54 65 A K H 3< S+ 0 0 141 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.756 112.0 49.3 -71.3 -24.1 6.7 3.9 8.0 55 66 A K H >X S+ 0 0 110 -4,-1.1 3,-1.2 -3,-0.4 4,-0.9 0.397 79.7 107.1 -95.4 3.1 6.5 1.4 5.1 56 67 A T H XX S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.6 3,-1.1 0.859 74.3 51.8 -49.9 -49.7 9.2 -0.9 6.5 57 68 A A H 34 S+ 0 0 30 -4,-0.3 -1,-0.3 1,-0.3 6,-0.2 0.754 107.2 55.7 -63.0 -23.3 7.0 -3.8 7.7 58 69 A D H <4 S+ 0 0 142 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.731 114.8 38.8 -79.8 -22.0 5.4 -3.9 4.2 59 70 A L H << S+ 0 0 97 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.1 0.778 107.1 62.4 -97.3 -34.1 8.8 -4.3 2.6 60 71 A I S >< S- 0 0 54 -4,-2.5 3,-1.9 1,-0.1 -1,-0.2 -0.866 77.9-146.3-100.2 106.8 10.6 -6.6 5.0 61 72 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -57,-0.1 0.793 92.1 32.5 -37.2 -56.4 8.7 -10.0 5.0 62 73 A L T 3 S+ 0 0 84 -59,-0.1 -57,-0.2 2,-0.1 2,-0.2 0.332 89.6 125.2 -93.3 9.7 9.2 -11.0 8.7 63 74 A C < - 0 0 16 -3,-1.9 -59,-0.1 -6,-0.2 -3,-0.0 -0.456 64.3-117.9 -72.4 136.8 9.3 -7.5 10.1 64 75 A H - 0 0 36 -2,-0.2 2,-0.3 33,-0.1 -7,-0.1 -0.582 24.7-127.2 -76.4 127.1 6.9 -6.7 13.0 65 76 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.566 43.1 159.4 -74.6 135.2 4.4 -4.0 12.1 66 77 A L - 0 0 34 -2,-0.3 2,-0.4 -12,-0.1 -9,-0.1 -0.998 44.6-100.2-155.5 155.4 4.4 -1.3 14.8 67 78 A P - 0 0 85 0, 0.0 26,-0.5 0, 0.0 2,-0.3 -0.641 36.9-142.2 -79.1 128.8 3.5 2.4 15.4 68 79 A L - 0 0 42 -2,-0.4 24,-0.2 24,-0.1 3,-0.1 -0.711 15.5-170.6 -90.8 141.4 6.5 4.7 15.2 69 80 A T S S+ 0 0 95 22,-2.1 2,-0.3 -2,-0.3 23,-0.2 0.471 71.9 20.7-107.7 -6.2 6.7 7.6 17.6 70 81 A G E +C 91 0A 22 21,-1.2 21,-2.4 2,-0.0 2,-0.3 -0.925 53.0 177.1-165.4 137.0 9.6 9.4 16.0 71 82 A V E +C 90 0A 42 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.950 6.0 177.2-145.4 120.9 11.4 9.6 12.7 72 83 A E E +C 89 0A 112 17,-2.5 17,-2.4 -2,-0.3 2,-0.4 -0.990 4.2 179.0-125.8 130.8 14.4 11.8 11.9 73 84 A V E -C 88 0A 7 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.999 5.9-172.5-134.8 136.1 16.2 11.8 8.6 74 85 A R E -C 87 0A 122 13,-2.6 13,-2.3 -2,-0.4 2,-0.5 -0.996 4.2-173.3-130.7 131.2 19.1 13.9 7.4 75 86 A V E +C 86 0A 16 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.946 18.4 177.4-126.5 107.5 20.5 14.0 3.9 76 87 A E E -C 85 0A 56 9,-2.7 9,-2.7 -2,-0.5 2,-0.5 -0.877 28.5-130.7-119.3 147.0 23.7 16.1 3.6 77 88 A L E -C 84 0A 41 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.798 13.9-165.0 -93.1 125.4 26.1 17.0 0.8 78 89 A L E >> -C 83 0A 29 5,-2.7 5,-1.6 -2,-0.5 4,-0.8 -0.809 9.5-175.5-111.0 86.8 29.8 16.5 1.8 79 90 A K T >45S+ 0 0 122 -2,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.898 77.3 47.3 -49.3 -57.6 31.5 18.4 -1.0 80 91 A A T 345S+ 0 0 104 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.887 116.9 44.6 -56.1 -41.0 35.1 17.7 -0.2 81 92 A E T 345S- 0 0 107 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.529 106.2-133.1 -80.8 -6.3 34.4 14.0 0.3 82 93 A K T <<5 + 0 0 82 -3,-1.3 -57,-2.5 -4,-0.8 2,-0.3 0.941 66.2 99.4 52.7 53.7 32.3 14.0 -2.9 83 94 A R E < -AC 24 78A 57 -5,-1.6 -5,-2.7 -59,-0.2 2,-0.5 -0.993 69.8-117.5-163.0 159.8 29.4 12.1 -1.4 84 95 A V E -AC 23 77A 0 -61,-2.4 -61,-1.8 -2,-0.3 2,-0.5 -0.878 25.5-153.9-103.1 129.8 26.0 12.4 0.2 85 96 A R E -AC 22 76A 70 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.4 -0.913 8.5-168.8-108.0 126.4 25.6 11.2 3.8 86 97 A I E +AC 21 75A 0 -65,-3.1 -65,-2.2 -2,-0.5 2,-0.4 -0.940 6.3 179.1-115.0 134.4 22.2 10.0 4.9 87 98 A E E -AC 20 74A 61 -13,-2.3 -13,-2.6 -2,-0.4 2,-0.4 -0.998 2.5-174.7-134.3 138.2 21.4 9.4 8.6 88 99 A A E -AC 19 73A 0 -69,-2.4 -69,-2.3 -2,-0.4 2,-0.4 -0.998 9.1-169.9-139.1 136.4 18.1 8.2 10.1 89 100 A T E -AC 18 72A 31 -17,-2.4 -17,-2.5 -2,-0.4 2,-0.4 -0.991 10.3-174.7-125.3 125.5 16.9 7.7 13.7 90 101 A V E -AC 17 71A 0 -73,-2.4 -73,-1.9 -2,-0.4 2,-0.3 -0.928 1.9-171.2-121.1 144.6 13.7 6.0 14.5 91 102 A K E +AC 16 70A 93 -21,-2.4 -22,-2.1 -2,-0.4 -21,-1.2 -0.923 14.3 142.0-134.2 158.4 11.9 5.5 17.8 92 103 A T E -A 15 0A 2 -77,-1.9 -77,-3.4 -2,-0.3 2,-0.5 -0.968 45.4-109.5-174.0 178.5 9.0 3.6 19.3 93 104 A K E +A 14 0A 77 -26,-0.5 2,-0.3 -2,-0.3 -79,-0.2 -0.970 64.1 115.0-127.4 108.7 7.7 1.7 22.3 94 105 A A E S-A 13 0A 3 -81,-2.4 -81,-2.1 -2,-0.5 -2,-0.1 -0.916 75.1 -95.4-159.5-174.5 7.3 -2.0 21.4 95 106 A E S S+ 0 0 56 -2,-0.3 2,-0.3 -83,-0.2 -83,-0.1 0.454 105.1 43.0 -93.1 -5.2 8.4 -5.7 21.9 96 107 A T S S- 0 0 24 -83,-0.1 -2,-0.1 41,-0.1 -83,-0.1 -0.904 87.9 -99.6-136.1 165.2 10.9 -5.5 19.1 97 108 A G - 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