==== 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 TRANSFERASE 03-FEB-03 1NVI . COMPND 2 MOLECULE: MOLYBDOPTERIN CONVERTING FACTOR SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.RUDOLPH,M.M.WUEBBENS,O.TURQUE,K.V.RAJAGOPALAN,H.SCHINDEL . 223 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 20.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 11 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 1 3 0 1 0 1 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 2 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 1 D M 0 0 76 0, 0.0 68,-3.0 0, 0.0 69,-0.4 0.000 360.0 360.0 360.0 146.0 -7.0 -21.5 21.1 2 2 D V E -A 21 0A 6 19,-2.1 19,-2.6 66,-0.2 2,-0.6 -0.996 360.0-140.1-134.7 130.4 -5.3 -18.1 21.0 3 3 D K E -Ab 20 71A 87 67,-2.2 69,-3.0 -2,-0.4 2,-0.5 -0.871 22.4-159.4 -92.7 123.0 -3.6 -16.5 18.0 4 4 D V E -Ab 19 72A 0 15,-3.3 15,-2.4 -2,-0.6 2,-0.3 -0.912 7.1-169.0-112.3 125.8 -0.3 -14.8 19.1 5 5 D L E -Ab 18 73A 23 67,-2.9 69,-2.2 -2,-0.5 2,-0.3 -0.835 3.1-159.0-112.1 151.3 1.3 -12.0 17.1 6 6 D F E - b 0 74A 1 11,-2.1 2,-0.3 -2,-0.3 69,-0.2 -0.956 6.8-170.9-130.1 147.1 4.8 -10.5 17.6 7 7 D F >> - 0 0 19 67,-1.3 3,-1.3 -2,-0.3 4,-0.8 -0.947 46.8 -17.7-136.8 157.9 6.3 -7.2 16.5 8 8 D A H 3> S- 0 0 0 -2,-0.3 4,-2.3 1,-0.3 3,-0.2 -0.181 126.2 -2.5 56.8-136.0 9.7 -5.5 16.3 9 9 D Q H 3> S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.789 135.8 56.4 -54.3 -36.3 12.5 -6.9 18.6 10 10 D V H <> S+ 0 0 1 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.938 109.3 45.6 -63.2 -47.2 10.1 -9.5 19.9 11 11 D R H X>S+ 0 0 56 -4,-0.8 4,-1.8 -3,-0.2 5,-0.7 0.898 112.3 51.0 -59.3 -46.1 9.4 -10.7 16.4 12 12 D E H <5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 113.5 44.8 -61.1 -43.3 13.0 -10.8 15.4 13 13 D L H <5S+ 0 0 77 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.4 44.8 -72.3 -40.9 14.0 -12.8 18.5 14 14 D V H <5S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.745 102.2-134.5 -75.9 -21.2 11.2 -15.4 18.3 15 15 D G T <5 + 0 0 64 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.655 70.0 79.8 78.7 16.6 11.7 -15.8 14.5 16 16 D T < - 0 0 56 -5,-0.7 -1,-0.2 1,-0.1 -2,-0.2 -0.994 66.6-141.2-151.6 154.9 8.0 -15.6 13.5 17 17 D D S S- 0 0 109 -2,-0.3 -11,-2.1 1,-0.3 2,-0.3 0.714 85.8 -6.6 -77.0 -30.1 5.2 -13.1 12.9 18 18 D A E -A 5 0A 34 -13,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.987 53.0-168.8-166.9 152.1 2.5 -15.2 14.5 19 19 D T E -A 4 0A 57 -15,-2.4 -15,-3.3 -2,-0.3 2,-0.7 -0.981 20.1-135.9-153.4 144.5 1.6 -18.5 15.9 20 20 D E E -A 3 0A 127 -2,-0.3 2,-0.6 -17,-0.2 -17,-0.2 -0.911 20.9-161.7-103.6 111.5 -1.7 -20.2 16.9 21 21 D V E -A 2 0A 29 -19,-2.6 -19,-2.1 -2,-0.7 2,-1.8 -0.858 9.2-152.4-102.1 116.0 -1.5 -21.9 20.3 22 22 D A + 0 0 95 -2,-0.6 2,-0.3 -21,-0.2 -19,-0.0 -0.562 62.0 92.1 -87.4 71.6 -4.2 -24.5 21.0 23 23 D A S S- 0 0 43 -2,-1.8 2,-0.4 -21,-0.1 -2,-0.1 -0.972 70.7-115.6-160.4 154.7 -4.2 -24.3 24.8 24 24 D D + 0 0 132 -2,-0.3 43,-0.1 -23,-0.1 -2,-0.0 -0.789 28.4 175.9 -99.5 135.2 -6.1 -22.3 27.5 25 25 D F - 0 0 27 -2,-0.4 41,-0.4 1,-0.1 6,-0.0 -0.989 30.0-136.7-132.4 145.1 -4.4 -19.8 29.8 26 26 D P S S+ 0 0 87 0, 0.0 40,-1.4 0, 0.0 2,-0.3 0.855 81.9 8.4 -67.3 -37.7 -6.1 -17.6 32.4 27 27 D T B > S-E 65 0B 37 38,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.899 75.3-103.4-141.2 165.8 -4.2 -14.4 31.7 28 28 D V H > S+ 0 0 0 36,-1.8 4,-3.0 -2,-0.3 35,-0.2 0.898 121.9 53.9 -53.0 -44.1 -1.8 -12.8 29.3 29 29 D E H > S+ 0 0 53 33,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.893 105.7 51.8 -63.3 -40.2 0.9 -13.3 31.9 30 30 D A H > S+ 0 0 17 32,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.928 112.5 46.0 -62.9 -42.7 0.2 -17.0 32.1 31 31 D L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.940 111.8 52.2 -61.8 -46.5 0.5 -17.2 28.4 32 32 D R H X S+ 0 0 44 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.924 109.0 49.4 -57.6 -47.1 3.7 -15.2 28.4 33 33 D Q H X S+ 0 0 106 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.913 112.3 47.3 -61.3 -45.5 5.3 -17.4 31.1 34 34 D H H < S+ 0 0 120 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.871 114.5 46.1 -66.8 -35.0 4.5 -20.6 29.2 35 35 D M H >< S+ 0 0 11 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.923 111.3 52.6 -70.5 -42.9 5.8 -19.2 25.8 36 36 D A H >< S+ 0 0 12 -4,-2.8 3,-0.7 1,-0.3 7,-0.3 0.831 101.4 61.7 -60.4 -35.2 9.0 -17.8 27.5 37 37 D A T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.444 80.6 86.0 -74.8 -1.4 9.7 -21.2 29.0 38 38 D Q T < S- 0 0 116 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.908 105.8 -36.3 -63.2 -43.9 10.1 -22.9 25.5 39 39 D S <> - 0 0 44 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 -0.970 66.4 -81.0-170.7 172.7 13.8 -22.0 25.0 40 40 D D H > S+ 0 0 146 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.862 124.3 50.8 -59.0 -39.6 16.5 -19.4 25.6 41 41 D R H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.3 50.3 -70.1 -35.2 15.4 -17.3 22.5 42 42 D W H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 109.6 50.0 -67.7 -39.1 11.8 -17.3 23.7 43 43 D A H X S+ 0 0 45 -4,-2.0 4,-0.7 -7,-0.3 -2,-0.2 0.895 111.9 48.9 -66.7 -41.2 12.8 -16.2 27.3 44 44 D L H < S+ 0 0 105 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.903 113.5 47.1 -60.4 -45.8 15.0 -13.3 25.8 45 45 D A H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 119.3 37.2 -66.7 -38.9 12.1 -12.2 23.5 46 46 D L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.276 90.5 116.0-107.8 9.4 9.4 -12.3 26.2 47 47 D E < + 0 0 105 -4,-0.7 4,-0.1 -3,-0.4 3,-0.1 -0.368 45.6 66.1 -61.7 149.8 11.5 -11.0 29.1 48 48 D D - 0 0 81 2,-0.1 -3,-0.0 1,-0.1 -4,-0.0 0.207 65.5-121.9 122.5 148.7 10.7 -7.6 30.8 49 49 D G S S+ 0 0 95 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.294 115.5 58.7 -87.4 2.6 8.6 -5.1 32.9 50 50 D K S S+ 0 0 71 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.654 79.1 113.3 -92.1 -28.8 8.7 -2.9 29.7 51 51 D L - 0 0 8 -4,-0.1 2,-0.3 25,-0.1 -3,-0.1 -0.139 55.6-148.7 -51.3 137.9 7.1 -5.5 27.4 52 52 D L E -C 75 0A 50 23,-3.0 23,-1.9 9,-0.0 2,-0.3 -0.726 10.9-164.3-107.0 160.8 3.6 -4.5 26.2 53 53 D A E -C 74 0A 2 7,-0.4 7,-2.2 -2,-0.3 2,-0.4 -0.996 6.5-164.0-143.7 146.5 0.6 -6.6 25.2 54 54 D A E -CD 73 59A 0 19,-1.9 19,-2.3 -2,-0.3 2,-0.5 -0.987 4.7-160.3-127.8 140.5 -2.7 -6.2 23.4 55 55 D V E > S-CD 72 58A 6 3,-2.2 3,-1.0 -2,-0.4 17,-0.2 -0.993 83.5 -11.0-118.2 127.0 -5.8 -8.4 23.5 56 56 D N T 3 S- 0 0 78 15,-2.8 -1,-0.1 -2,-0.5 16,-0.1 0.862 131.5 -54.9 47.3 43.6 -8.2 -8.1 20.5 57 57 D Q T 3 S+ 0 0 48 14,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.731 114.6 111.2 66.5 30.2 -6.2 -4.9 19.4 58 58 D T E < S-D 55 0A 63 -3,-1.0 -3,-2.2 78,-0.0 -1,-0.2 -1.000 74.2-112.8-128.4 130.0 -6.5 -3.0 22.7 59 59 D L E +D 54 0A 60 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.388 47.4 179.3 -59.6 141.8 -3.5 -2.4 25.0 60 60 D V - 0 0 27 -7,-2.2 -7,-0.4 -2,-0.1 2,-0.1 -0.973 31.9-105.4-151.7 147.7 -4.0 -4.3 28.2 61 61 D S > - 0 0 74 -2,-0.3 3,-1.8 1,-0.1 -33,-0.2 -0.402 41.9-109.4 -73.9 161.2 -2.3 -5.1 31.5 62 62 D F T 3 S+ 0 0 45 1,-0.3 -33,-2.6 -34,-0.1 -32,-0.3 0.616 115.7 64.3 -75.7 -8.2 -0.7 -8.5 31.9 63 63 D D T 3 S+ 0 0 118 -35,-0.2 -1,-0.3 -36,-0.1 -2,-0.0 0.382 74.0 127.1 -87.9 4.8 -3.4 -9.7 34.3 64 64 D H < - 0 0 74 -3,-1.8 -36,-1.8 1,-0.1 -35,-0.2 -0.397 65.1-113.6 -62.9 131.5 -6.0 -9.4 31.5 65 65 D P B -E 27 0B 82 0, 0.0 2,-0.3 0, 0.0 -38,-0.3 -0.295 26.7-147.2 -67.0 151.3 -8.1 -12.6 31.1 66 66 D L - 0 0 14 -40,-1.4 2,-0.3 -41,-0.4 -64,-0.0 -0.925 15.5-179.9-117.8 143.0 -7.8 -14.7 27.9 67 67 D T > - 0 0 92 -2,-0.3 3,-2.1 -66,-0.1 -43,-0.0 -0.959 43.4 -71.7-130.7 164.2 -10.5 -16.9 26.1 68 68 D D T 3 S+ 0 0 123 -2,-0.3 -66,-0.2 1,-0.3 -44,-0.0 -0.172 118.2 27.6 -44.8 130.7 -10.7 -19.1 23.1 69 69 D G T 3 S+ 0 0 53 -68,-3.0 -1,-0.3 1,-0.3 -67,-0.2 0.271 86.9 137.7 95.0 -9.0 -10.6 -17.0 19.9 70 70 D D < - 0 0 18 -3,-2.1 -67,-2.2 -69,-0.4 2,-0.5 -0.351 48.6-137.3 -71.5 151.5 -8.6 -14.1 21.3 71 71 D E E -b 3 0A 49 -69,-0.2 -15,-2.8 -2,-0.0 2,-0.4 -0.944 24.5-171.6-103.4 122.1 -5.8 -12.3 19.4 72 72 D V E -bC 4 55A 0 -69,-3.0 -67,-2.9 -2,-0.5 2,-0.4 -0.953 4.2-168.9-120.0 136.7 -2.9 -11.6 21.6 73 73 D A E -bC 5 54A 0 -19,-2.3 -19,-1.9 -2,-0.4 2,-0.4 -0.984 6.6-162.7-127.9 136.8 0.1 -9.5 20.6 74 74 D F E +bC 6 53A 0 -69,-2.2 -67,-1.3 -2,-0.4 -21,-0.2 -0.974 27.5 145.9-115.9 133.7 3.4 -9.0 22.4 75 75 D F E - 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0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 28.9-147.0 -67.0 157.2 4.1 10.7 1.3 94 13 E F - 0 0 23 74,-0.2 2,-0.4 63,-0.1 74,-0.2 -0.851 1.5-142.0-119.8 164.7 1.7 13.4 2.3 95 14 E S >> - 0 0 49 -2,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.992 7.6-150.5-128.7 123.0 1.7 17.1 1.6 96 15 E V H 3> S+ 0 0 41 -2,-0.4 4,-2.8 1,-0.3 -1,-0.1 0.904 102.2 59.7 -57.2 -37.4 0.5 19.7 4.2 97 16 E G H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.794 109.4 42.4 -61.7 -30.9 -0.5 21.9 1.3 98 17 E E H <4 S+ 0 0 146 -3,-0.9 4,-0.5 2,-0.1 -1,-0.2 0.811 118.6 44.5 -78.7 -36.4 -2.9 19.1 0.1 99 18 E E H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.790 102.0 65.7 -81.7 -30.0 -4.2 18.3 3.6 100 19 E Y H X S+ 0 0 108 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.901 91.1 59.1 -64.9 -47.1 -4.7 21.8 4.9 101 20 E P H > S+ 0 0 67 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.897 106.8 47.8 -54.9 -42.5 -7.5 23.0 2.6 102 21 E W H >4 S+ 0 0 53 -4,-0.5 3,-0.9 1,-0.2 4,-0.3 0.919 113.2 48.7 -62.4 -44.7 -9.9 20.2 3.7 103 22 E L H 3< S+ 0 0 0 -4,-1.4 3,-0.4 1,-0.2 50,-0.3 0.914 115.6 43.8 -58.5 -42.5 -9.2 20.9 7.3 104 23 E A H 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.390 85.2 100.5 -87.7 1.5 -9.8 24.6 6.9 105 24 E E << + 0 0 114 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.2 0.845 61.0 81.5 -58.2 -44.4 -12.9 24.3 4.7 106 25 E R > - 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