==== 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 3JQM . COMPND 2 MOLECULE: MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.P.KANAUJIA,J.JEYAKANTHAN,N.NAKAGAWA,K.SEKAR,A.SHINKAI,S.KU . 1322 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 969 73.3 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 . 384 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 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 . 80 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 3 0 0 2 3 4 0 0 0 1 3 1 0 2 0 11 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 . 9 13 1 1 1 1 0 6 2 8 0 9 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 1 0 0 0 0 1 0 3 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 9 A G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.8 16.1 -26.3 97.5 2 10 A R - 0 0 201 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.347 360.0 -97.2 -73.5 157.6 15.5 -29.3 95.4 3 11 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.423 52.5 150.0 -77.6 150.0 12.2 -29.8 93.6 4 12 A R - 0 0 142 -2,-0.1 2,-0.9 61,-0.0 61,-0.1 -0.987 51.1 -96.1-170.7 162.7 9.4 -32.0 95.0 5 13 A M - 0 0 92 -2,-0.3 61,-0.1 59,-0.1 3,-0.1 -0.805 54.1-117.2 -90.9 108.7 5.7 -32.7 95.3 6 14 A V - 0 0 85 -2,-0.9 2,-0.5 59,-0.3 -1,-0.0 -0.137 25.2-111.7 -49.0 130.3 4.6 -31.1 98.6 7 15 A D + 0 0 125 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.527 46.7 159.4 -69.7 115.7 3.3 -33.5 101.2 8 16 A V > + 0 0 19 -2,-0.5 3,-1.2 1,-0.1 -1,-0.1 -0.043 32.2 120.9-125.9 27.0 -0.4 -32.8 101.8 9 17 A T T 3 S+ 0 0 101 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.872 74.0 47.6 -60.3 -43.1 -1.3 -36.2 103.3 10 18 A E T 3 S+ 0 0 184 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.311 91.3 100.7 -85.2 8.0 -2.6 -34.8 106.6 11 19 A K S < S- 0 0 91 -3,-1.2 2,-0.2 1,-0.1 87,-0.1 -0.638 78.1-109.1 -91.4 150.1 -4.8 -32.2 105.0 12 20 A P - 0 0 96 0, 0.0 2,-0.7 0, 0.0 85,-0.2 -0.570 24.1-115.8 -83.6 146.5 -8.5 -32.8 104.6 13 21 A E + 0 0 105 -2,-0.2 85,-0.2 83,-0.1 2,-0.2 -0.686 52.5 158.0 -79.4 113.3 -10.2 -33.4 101.3 14 22 A T E -A 97 0A 42 83,-1.9 83,-1.7 -2,-0.7 2,-0.6 -0.664 50.3 -70.3-127.2-177.4 -12.6 -30.5 100.7 15 23 A F E -A 96 0A 122 81,-0.2 2,-0.3 -2,-0.2 81,-0.2 -0.700 53.8-172.3 -81.0 116.3 -14.4 -28.7 97.8 16 24 A R E +A 95 0A 24 79,-3.5 79,-1.9 -2,-0.6 2,-0.3 -0.826 6.2 177.3-109.8 150.3 -11.7 -26.9 95.8 17 25 A T E +AB 94 138A 31 121,-2.1 121,-2.5 -2,-0.3 2,-0.3 -0.983 7.2 177.8-155.7 141.5 -12.4 -24.5 93.0 18 26 A A E -AB 93 137A 0 75,-1.8 75,-2.1 -2,-0.3 2,-0.4 -0.998 7.0-168.2-145.3 146.3 -10.4 -22.2 90.7 19 27 A T E +AB 92 136A 23 117,-3.3 116,-3.2 -2,-0.3 117,-2.4 -0.990 15.1 163.5-138.6 126.6 -11.2 -19.9 87.8 20 28 A A E -AB 91 134A 0 71,-2.0 71,-2.5 -2,-0.4 2,-0.3 -0.867 17.5-148.8-134.6 167.0 -8.7 -18.3 85.4 21 29 A E E -AB 90 133A 18 112,-2.3 112,-1.8 -2,-0.3 2,-0.3 -0.894 3.8-160.3-135.9 167.4 -8.9 -16.6 82.0 22 30 A A E -AB 89 132A 0 67,-2.2 67,-2.6 -2,-0.3 2,-0.3 -0.993 7.3-150.7-148.6 145.9 -6.8 -16.2 78.9 23 31 A F E -AB 88 131A 15 108,-0.7 107,-1.3 -2,-0.3 108,-0.6 -0.912 3.4-161.8-122.3 148.0 -6.8 -13.7 76.0 24 32 A V E -AB 87 129A 1 63,-2.1 63,-1.7 -2,-0.3 2,-0.3 -0.943 17.6-141.8-130.6 107.9 -5.8 -14.0 72.3 25 33 A E E -AB 86 128A 55 103,-2.2 103,-1.1 -2,-0.4 2,-0.4 -0.512 19.5-146.1 -69.8 129.9 -5.1 -10.7 70.5 26 34 A L - 0 0 13 59,-3.0 2,-0.1 58,-0.3 -1,-0.0 -0.844 2.5-144.9-105.4 134.1 -6.4 -10.9 66.9 27 35 A T > - 0 0 43 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.486 36.9-103.9 -83.3 163.9 -4.8 -9.2 63.9 28 36 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 122.1 50.0 -56.6 -44.4 -7.3 -8.0 61.3 29 37 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 113.8 44.7 -59.9 -46.7 -6.5 -10.9 58.9 30 38 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.881 110.9 53.4 -66.7 -40.1 -7.0 -13.5 61.7 31 39 A L H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.922 109.0 49.9 -60.7 -43.3 -10.2 -11.8 62.9 32 40 A S H X S+ 0 0 39 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.909 110.9 49.3 -60.3 -44.3 -11.6 -11.9 59.4 33 41 A A H X>S+ 0 0 1 -4,-2.0 5,-3.5 1,-0.2 4,-0.7 0.903 108.9 53.6 -61.9 -42.4 -10.7 -15.6 59.2 34 42 A L H ><5S+ 0 0 12 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.932 107.6 49.7 -59.5 -45.5 -12.3 -16.2 62.5 35 43 A E H 3<5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 107.9 53.7 -66.4 -25.2 -15.6 -14.6 61.4 36 44 A K H 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.600 131.2 -93.7 -83.8 -10.0 -15.6 -16.8 58.2 37 45 A G T <<5S- 0 0 31 -3,-1.1 5,-0.3 -4,-0.7 3,-0.2 0.578 73.0 -64.5 109.3 13.5 -15.2 -19.9 60.4 38 46 A G S - 0 0 74 -2,-0.2 4,-2.4 1,-0.2 5,-0.4 -0.586 52.4-152.2 -75.5 103.9 -14.1 -23.7 64.0 44 52 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.843 91.1 41.0 -38.7 -56.7 -11.3 -22.1 66.2 45 53 A L H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.882 113.5 52.1 -66.9 -41.0 -13.4 -21.5 69.3 46 54 A V H > S+ 0 0 62 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.972 115.4 41.3 -59.8 -54.2 -15.3 -24.8 69.2 47 55 A V H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.884 114.7 52.8 -60.6 -41.1 -12.1 -26.8 69.0 48 56 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.4 -1,-0.2 0.917 103.6 55.6 -62.6 -44.8 -10.3 -24.6 71.5 49 57 A Q H X S+ 0 0 12 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.832 111.1 45.8 -57.4 -33.5 -13.1 -25.0 74.1 50 58 A L H X S+ 0 0 7 -4,-1.3 4,-2.5 -3,-0.2 5,-0.3 0.886 107.2 56.7 -76.8 -40.4 -12.7 -28.7 73.9 51 59 A A H X S+ 0 0 21 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.809 104.7 54.8 -60.1 -31.3 -8.9 -28.6 74.0 52 60 A G H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.883 107.8 47.2 -70.4 -39.7 -9.2 -26.7 77.3 53 61 A I H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.957 116.7 43.1 -66.2 -51.6 -11.3 -29.4 79.0 54 62 A L H >X S+ 0 0 12 -4,-2.5 4,-0.9 1,-0.2 3,-0.8 0.957 112.8 55.6 -58.8 -46.9 -9.0 -32.1 77.8 55 63 A A H >X S+ 0 0 6 -4,-2.6 3,-2.7 1,-0.3 4,-0.7 0.945 101.6 55.0 -48.6 -59.7 -6.0 -29.9 78.8 56 64 A A H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.3 4,-0.3 0.810 106.3 53.3 -45.9 -35.7 -7.2 -29.5 82.4 57 65 A K H << S+ 0 0 31 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.693 109.6 47.6 -75.4 -18.3 -7.3 -33.3 82.7 58 66 A K H XX S+ 0 0 56 -3,-2.7 3,-1.7 -4,-0.9 4,-0.6 0.345 80.0 110.0-101.7 4.3 -3.7 -33.6 81.5 59 67 A T H XX S+ 0 0 1 -3,-0.7 3,-2.6 -4,-0.7 4,-2.2 0.894 72.7 52.8 -44.9 -58.0 -2.5 -30.9 83.9 60 68 A A H 34 S+ 0 0 38 1,-0.3 -1,-0.3 -4,-0.3 6,-0.2 0.697 106.6 58.4 -56.3 -17.3 -0.5 -33.1 86.3 61 69 A D H <4 S+ 0 0 144 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.658 112.8 35.7 -86.8 -17.1 1.2 -34.5 83.2 62 70 A L H << S+ 0 0 90 -3,-2.6 -2,-0.2 -4,-0.6 -3,-0.1 0.716 107.9 63.4-106.7 -30.2 2.5 -31.1 82.1 63 71 A I S >< S- 0 0 51 -4,-2.2 3,-1.4 1,-0.1 -1,-0.2 -0.895 75.7-149.4-101.6 111.0 3.3 -29.3 85.4 64 72 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 0.814 89.4 34.1 -44.2 -54.1 6.1 -31.3 87.1 65 73 A L T 3 S+ 0 0 85 -61,-0.1 -59,-0.3 2,-0.1 2,-0.1 0.146 91.0 123.6 -96.7 17.9 5.4 -30.8 90.8 66 74 A C < - 0 0 17 -3,-1.4 -61,-0.1 -6,-0.2 0, 0.0 -0.477 64.5-116.6 -78.9 149.3 1.7 -30.7 90.4 67 75 A H - 0 0 33 33,-0.2 -7,-0.1 -2,-0.1 2,-0.1 -0.716 27.1-118.4 -88.5 133.8 -0.6 -33.1 92.4 68 76 A P - 0 0 88 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.443 41.1-170.9 -67.2 143.0 -2.6 -35.6 90.4 69 77 A L - 0 0 33 -12,-0.1 2,-0.5 -2,-0.1 -9,-0.1 -0.979 33.2-129.7-148.7 137.0 -6.3 -35.1 91.0 70 78 A P - 0 0 55 0, 0.0 26,-0.6 0, 0.0 2,-0.6 -0.671 37.7-143.1 -76.7 127.5 -9.7 -36.6 90.3 71 79 A L E -C 95 0A 7 -2,-0.5 24,-0.3 590,-0.2 3,-0.1 -0.850 18.8-168.5 -98.6 123.8 -11.7 -33.6 88.9 72 80 A T E S+ 0 0 3 22,-1.5 529,-1.9 -2,-0.6 2,-0.3 0.753 74.2 4.1 -78.9 -24.1 -15.4 -33.3 89.8 73 81 A G E -C 94 0A 2 21,-2.1 21,-3.2 527,-0.2 2,-0.3 -0.990 50.6-168.6-162.7 152.3 -15.9 -30.7 87.2 74 82 A V E -CD 93 598A 0 524,-1.4 524,-2.4 -2,-0.3 2,-0.4 -0.949 10.4-176.8-145.1 119.7 -14.5 -28.7 84.3 75 83 A E E +C 92 0A 30 17,-3.1 17,-2.5 -2,-0.3 2,-0.4 -0.974 5.0 177.3-120.1 131.1 -16.1 -25.6 82.7 76 84 A V E -C 91 0A 1 -2,-0.4 2,-0.4 520,-0.4 15,-0.2 -0.998 6.5-176.7-137.0 133.1 -14.6 -23.8 79.7 77 85 A R E -C 90 0A 67 13,-2.6 13,-2.5 -2,-0.4 2,-0.5 -0.997 3.2-171.1-130.2 130.8 -16.0 -20.9 77.8 78 86 A V E +C 89 0A 17 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.955 15.7 176.2-125.2 112.1 -14.4 -19.4 74.7 79 87 A E E -C 88 0A 73 9,-2.2 9,-2.9 -2,-0.5 2,-0.4 -0.849 27.6-128.4-122.8 155.3 -15.8 -16.1 73.3 80 88 A L E -C 87 0A 43 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.809 12.5-165.9 -97.3 133.9 -15.1 -13.6 70.6 81 89 A L E >> -C 86 0A 42 5,-3.2 5,-1.6 -2,-0.4 4,-0.9 -0.794 7.1-174.6-120.1 84.5 -14.9 -9.9 71.5 82 90 A K T >45S+ 0 0 121 -2,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.880 78.0 53.2 -42.6 -59.5 -15.0 -8.1 68.1 83 91 A A T 345S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.889 118.4 35.5 -49.4 -48.3 -14.5 -4.6 69.4 84 92 A E T 345S- 0 0 105 -3,-0.4 -1,-0.3 2,-0.1 -58,-0.3 0.500 105.5-130.8 -85.7 -1.7 -11.3 -5.5 71.2 85 93 A K T <<5 + 0 0 71 -3,-1.3 -59,-3.0 -4,-0.9 2,-0.3 0.970 64.6 128.2 48.8 59.2 -10.4 -8.0 68.5 86 94 A R E < -AC 25 81A 68 -5,-1.6 -5,-3.2 -61,-0.2 2,-0.4 -0.989 57.7-139.8-145.2 151.2 -9.8 -10.6 71.2 87 95 A V E -AC 24 80A 0 -63,-1.7 -63,-2.1 -2,-0.3 2,-0.4 -0.899 24.9-155.0-107.3 139.0 -10.8 -14.1 72.0 88 96 A R E -AC 23 79A 57 -9,-2.9 -9,-2.2 -2,-0.4 2,-0.4 -0.926 6.7-164.3-117.4 143.7 -11.4 -14.6 75.7 89 97 A I E -AC 22 78A 0 -67,-2.6 -67,-2.2 -2,-0.4 2,-0.4 -0.992 6.8-179.0-131.0 126.7 -11.1 -17.9 77.6 90 98 A E E -AC 21 77A 60 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.4 -0.974 4.5-178.2-124.0 135.9 -12.5 -18.6 81.0 91 99 A A E -AC 20 76A 1 -71,-2.5 -71,-2.0 -2,-0.4 2,-0.5 -0.997 11.4-171.3-140.0 136.0 -12.2 -21.9 82.8 92 100 A T E -AC 19 75A 37 -17,-2.5 -17,-3.1 -2,-0.4 2,-0.4 -0.996 10.4-170.5-126.5 122.7 -13.5 -23.1 86.2 93 101 A V E -AC 18 74A 0 -75,-2.1 -75,-1.8 -2,-0.5 2,-0.4 -0.907 3.9-162.1-115.2 143.0 -12.2 -26.5 87.5 94 102 A K E +AC 17 73A 73 -21,-3.2 -21,-2.1 -2,-0.4 -22,-1.5 -0.968 16.1 153.8-129.7 145.1 -13.7 -28.2 90.5 95 103 A T E -AC 16 71A 0 -79,-1.9 -79,-3.5 -2,-0.4 2,-0.5 -0.955 38.8-128.6-156.3 172.5 -12.4 -31.0 92.8 96 104 A K E +A 15 0A 58 -26,-0.6 2,-0.3 -2,-0.3 -81,-0.2 -0.956 64.1 100.0-129.6 103.3 -12.6 -32.6 96.2 97 105 A A E S-A 14 0A 3 -83,-1.7 -83,-1.9 -2,-0.5 -2,-0.1 -0.957 81.2 -84.9-167.9-173.9 -9.0 -33.0 97.5 98 106 A E S S+ 0 0 44 -2,-0.3 2,-0.3 -85,-0.2 -85,-0.1 0.603 103.3 51.2 -86.1 -9.3 -6.1 -31.8 99.7 99 107 A T S S- 0 0 27 -85,-0.1 -83,-0.1 1,-0.1 -2,-0.1 -0.878 84.9-101.1-131.0 158.6 -4.8 -29.4 97.1 100 108 A G - 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