==== 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 15-JAN-08 3BY5 . COMPND 2 MOLECULE: COBALAMIN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR Y.PATSKOVSKY,J.B.BONANNO,S.SOJITRA,M.RUTTER,M.IIZUKA,M.MALET . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 12.2 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 5 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 8 A V 0 0 84 0, 0.0 120,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.0 -4.9 15.0 55.2 2 9 A T E -A 120 0A 9 29,-0.3 31,-2.2 118,-0.2 32,-0.9 -0.969 360.0-164.2-123.6 125.9 -2.0 15.8 57.6 3 10 A V E -Ab 119 34A 2 116,-2.6 116,-2.9 -2,-0.4 2,-0.6 -0.876 7.9-152.3-110.9 132.7 1.1 17.9 56.7 4 11 A A E -Ab 118 35A 0 30,-2.5 32,-2.1 -2,-0.4 2,-0.4 -0.935 11.1-150.3-105.4 115.2 4.4 18.1 58.6 5 12 A G E -Ab 117 36A 0 112,-3.2 112,-2.3 -2,-0.6 2,-0.5 -0.713 16.9-153.3 -81.1 128.8 6.3 21.4 58.3 6 13 A I E +Ab 116 37A 1 30,-3.5 32,-0.5 -2,-0.4 2,-0.4 -0.907 19.5 172.0-114.4 128.0 10.0 20.9 58.6 7 14 A G E +A 115 0A 17 108,-2.2 108,-3.1 -2,-0.5 2,-0.3 -0.982 10.0 161.4-126.1 143.5 12.7 23.3 59.8 8 15 A C E -A 114 0A 36 -2,-0.4 106,-0.2 106,-0.2 2,-0.1 -0.982 39.3 -97.1-153.4 161.4 16.3 22.5 60.4 9 16 A R - 0 0 142 104,-1.0 2,-0.2 -2,-0.3 104,-0.1 -0.459 61.0 -77.4 -76.3 153.0 19.7 24.2 60.8 10 17 A K S S+ 0 0 110 1,-0.1 -1,-0.1 -2,-0.1 34,-0.1 -0.342 117.6 31.6 -53.2 116.6 22.1 24.3 57.8 11 18 A G S S+ 0 0 55 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.891 74.3 161.7 92.5 75.6 23.6 20.9 57.6 12 19 A A - 0 0 10 -4,-0.1 -1,-0.2 4,-0.0 34,-0.1 -0.997 36.8-122.6-126.8 130.1 21.1 18.3 58.8 13 20 A A >> - 0 0 51 -2,-0.4 4,-1.5 1,-0.1 3,-0.9 -0.407 19.2-124.4 -69.4 145.9 21.4 14.6 58.0 14 21 A S H 3> S+ 0 0 36 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.853 112.0 56.4 -59.0 -37.0 18.4 13.0 56.2 15 22 A D H 3> S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.720 102.0 56.0 -69.2 -24.3 18.2 10.4 59.0 16 23 A A H <> S+ 0 0 37 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.891 109.7 45.6 -71.6 -42.5 17.8 13.1 61.6 17 24 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.912 113.2 50.5 -62.4 -45.8 14.8 14.5 59.7 18 25 A I H X S+ 0 0 39 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.923 110.6 48.7 -60.2 -48.4 13.4 11.0 59.3 19 26 A A H X S+ 0 0 53 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.883 110.6 52.2 -55.9 -44.1 13.7 10.3 63.1 20 27 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.821 110.3 47.0 -63.7 -37.1 12.1 13.7 63.9 21 28 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.933 113.8 46.5 -73.2 -46.2 9.0 12.9 61.6 22 29 A R H X S+ 0 0 119 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.811 111.6 52.1 -66.9 -31.0 8.5 9.4 63.0 23 30 A A H X S+ 0 0 26 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.867 109.2 50.6 -69.5 -38.4 8.9 10.7 66.6 24 31 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 6,-0.3 0.891 108.8 52.2 -62.2 -43.3 6.2 13.3 65.9 25 32 A E H X>S+ 0 0 32 -4,-2.2 5,-1.5 2,-0.2 4,-1.4 0.921 114.9 41.2 -59.1 -47.3 3.9 10.7 64.5 26 33 A R H <5S+ 0 0 180 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.901 114.7 50.9 -68.1 -44.0 4.3 8.5 67.6 27 34 A A H <5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.758 122.8 29.5 -66.3 -28.0 4.1 11.5 70.1 28 35 A F H <5S- 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.522 103.1-117.6-115.1 -8.9 1.0 12.9 68.6 29 36 A G T <5S+ 0 0 69 -4,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.886 71.2 125.5 73.7 38.9 -0.9 9.9 67.2 30 37 A V < - 0 0 16 -5,-1.5 2,-0.4 -6,-0.3 -1,-0.3 -0.737 54.5-140.7-120.6 169.3 -0.8 11.1 63.6 31 38 A T - 0 0 107 -2,-0.2 -29,-0.3 -3,-0.1 2,-0.3 -0.936 22.5-138.1-134.2 112.1 0.4 9.8 60.3 32 39 A V + 0 0 8 -2,-0.4 -29,-0.2 1,-0.1 3,-0.1 -0.506 27.1 170.5 -71.6 128.0 2.1 12.3 58.0 33 40 A D + 0 0 78 -31,-2.2 24,-0.4 -2,-0.3 2,-0.3 0.354 66.9 34.4-117.4 4.8 1.1 12.1 54.4 34 41 A Y E -b 3 0A 67 -32,-0.9 -30,-2.5 22,-0.1 2,-0.3 -0.959 65.5-148.8-159.9 135.1 2.8 15.3 53.1 35 42 A L E -bc 4 58A 0 22,-2.4 24,-1.8 -2,-0.3 2,-0.3 -0.801 15.9-176.2-107.1 152.3 5.9 17.2 53.9 36 43 A A E +bc 5 59A 0 -32,-2.1 -30,-3.5 -2,-0.3 2,-0.3 -0.990 4.2 174.1-147.3 152.6 6.5 21.0 53.7 37 44 A T E -bc 6 60A 9 22,-2.6 24,-2.7 -2,-0.3 -30,-0.1 -0.965 30.1-108.4-152.1 164.4 9.3 23.6 54.2 38 45 A A S S- 0 0 17 -32,-0.5 2,-0.2 -2,-0.3 24,-0.1 -0.427 70.0 -58.4 -83.8 168.3 10.3 27.2 53.9 39 46 A P S S- 0 0 51 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.342 70.4-119.4 -51.9 116.3 12.7 28.4 51.2 40 47 A L - 0 0 65 -2,-0.2 4,-0.1 1,-0.1 -33,-0.0 -0.301 27.1-154.5 -81.4 154.4 15.8 26.2 52.0 41 48 A K - 0 0 122 2,-0.6 3,-0.1 -3,-0.1 -1,-0.1 0.948 56.2 -31.9-103.8 -95.3 19.0 27.9 52.8 42 49 A A S S+ 0 0 69 1,-0.3 2,-0.4 2,-0.0 -2,-0.1 0.781 129.1 45.0-101.8 -44.9 22.6 26.7 52.5 43 50 A D + 0 0 68 1,-0.1 -2,-0.6 2,-0.0 -1,-0.3 -0.873 58.5 147.8 -98.8 137.3 21.9 23.0 53.0 44 51 A E > + 0 0 93 -2,-0.4 4,-1.2 -4,-0.1 -1,-0.1 0.425 53.0 78.8-142.9 -14.1 18.9 21.6 51.2 45 52 A A H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.824 85.0 61.4 -79.9 -32.7 19.8 18.0 50.4 46 53 A G H > S+ 0 0 8 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.886 107.5 44.3 -61.2 -42.2 19.1 16.5 53.8 47 54 A L H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.852 113.6 49.2 -72.4 -38.1 15.5 17.4 53.7 48 55 A A H X S+ 0 0 50 -4,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.850 111.7 49.6 -70.6 -35.4 14.9 16.3 50.1 49 56 A E H X S+ 0 0 101 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.765 107.9 54.5 -71.9 -28.5 16.6 12.9 50.8 50 57 A A H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.843 103.8 53.7 -75.7 -37.4 14.4 12.4 53.9 51 58 A A H <>S+ 0 0 6 -4,-1.5 5,-2.7 2,-0.2 4,-0.4 0.834 109.9 49.5 -60.8 -35.4 11.2 12.9 51.9 52 59 A K H <5S+ 0 0 147 -4,-1.0 3,-0.3 3,-0.2 -2,-0.2 0.888 111.9 47.9 -69.8 -41.2 12.5 10.2 49.6 53 60 A G H <5S+ 0 0 47 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.2 42.3 -67.0 -38.5 13.3 8.0 52.6 54 61 A L T <5S- 0 0 16 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.530 108.7-129.2 -81.9 -6.9 9.8 8.6 54.1 55 62 A S T 5 + 0 0 106 -4,-0.4 2,-0.3 -3,-0.3 -3,-0.2 0.851 64.1 132.9 53.9 41.9 8.4 8.2 50.6 56 63 A L < - 0 0 37 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.835 59.3-112.1-116.6 153.9 6.5 11.5 51.0 57 64 A S - 0 0 76 -24,-0.4 -22,-2.4 -2,-0.3 2,-0.4 -0.506 28.6-143.0 -79.0 154.0 6.2 14.6 48.7 58 65 A L E -c 35 0A 45 -2,-0.2 2,-0.6 -24,-0.1 -22,-0.2 -0.980 7.3-159.1-121.7 132.2 7.8 17.8 49.7 59 66 A E E -c 36 0A 60 -24,-1.8 -22,-2.6 -2,-0.4 2,-1.0 -0.950 4.4-159.3-107.9 116.8 6.4 21.3 49.2 60 67 A I E -c 37 0A 92 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.832 25.2-145.8 -90.5 99.9 9.0 24.1 49.3 61 68 A V - 0 0 1 -24,-2.7 5,-0.1 -2,-1.0 32,-0.0 -0.542 11.1-118.1 -79.2 126.9 6.6 27.0 50.0 62 69 A A >> - 0 0 54 -2,-0.3 4,-2.0 -24,-0.1 3,-0.6 -0.239 20.5-118.9 -60.2 149.4 7.5 30.4 48.4 63 70 A Q H 3> S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.810 114.0 56.9 -62.0 -33.5 8.1 33.3 50.8 64 71 A E H 3> S+ 0 0 157 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.843 109.7 45.5 -62.7 -38.2 5.1 35.3 49.4 65 72 A R H <> S+ 0 0 95 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.840 111.9 51.4 -76.3 -37.5 2.9 32.3 50.2 66 73 A L H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.924 110.5 48.7 -63.1 -47.6 4.4 32.0 53.7 67 74 A E H X S+ 0 0 124 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.893 110.1 52.0 -58.9 -43.2 3.9 35.7 54.4 68 75 A A H X S+ 0 0 34 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.920 111.3 46.6 -58.1 -48.4 0.2 35.5 53.2 69 76 A V H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.907 112.1 50.0 -62.4 -46.5 -0.5 32.5 55.5 70 77 A A H < S+ 0 0 16 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.880 112.1 48.9 -59.6 -41.2 1.2 34.2 58.5 71 78 A A H >X S+ 0 0 52 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.920 110.4 50.7 -63.7 -47.1 -0.9 37.3 57.8 72 79 A E H >X>S+ 0 0 87 -4,-2.5 5,-2.5 1,-0.2 4,-0.9 0.862 106.7 54.3 -57.3 -40.8 -4.2 35.3 57.5 73 80 A T H 3<5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 8,-0.2 0.582 109.7 48.4 -75.3 -10.1 -3.5 33.6 60.9 74 81 A X H <45S+ 0 0 101 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.464 117.9 38.8-104.9 -6.6 -3.1 36.9 62.6 75 82 A T H <<5S- 0 0 71 -3,-0.9 3,-0.2 -4,-0.5 -2,-0.1 0.794 135.1 -22.9-105.1 -78.6 -6.3 38.5 61.2 76 83 A F T <5S+ 0 0 197 -4,-0.9 3,-0.3 1,-0.1 -3,-0.2 0.588 126.1 64.3-118.1 -19.1 -9.4 36.2 60.8 77 84 A S > < + 0 0 54 -5,-2.5 3,-1.6 1,-0.2 4,-0.2 -0.215 58.8 131.2-100.0 42.1 -7.9 32.7 60.7 78 85 A Q G > + 0 0 116 1,-0.3 3,-1.0 -3,-0.2 -1,-0.2 0.678 60.4 71.2 -70.4 -17.6 -6.6 32.9 64.3 79 86 A A G 3 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.525 80.5 77.6 -73.5 -6.9 -8.2 29.5 65.1 80 87 A S G < S+ 0 0 18 -3,-1.6 24,-3.2 23,-0.2 2,-0.3 0.710 92.6 54.6 -76.3 -22.7 -5.5 27.9 62.8 81 88 A L < - 0 0 18 -3,-1.0 4,-0.1 -8,-0.2 24,-0.0 -0.894 67.6-148.8-115.6 148.6 -2.9 28.2 65.5 82 89 A D S S+ 0 0 88 -2,-0.3 2,-0.3 24,-0.2 -3,-0.1 0.097 80.5 56.1 -99.8 20.5 -2.9 26.9 69.1 83 90 A H S S- 0 0 75 2,-0.1 2,-0.3 24,-0.0 -2,-0.1 -0.846 94.2 -74.6-139.3 178.7 -0.6 29.8 70.4 84 91 A S S S- 0 0 115 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.571 79.9 -30.0 -86.4 135.4 -0.6 33.6 70.4 85 92 A G S S+ 0 0 44 -2,-0.3 -2,-0.1 -12,-0.1 -4,-0.1 -0.505 106.9 29.1 82.0-124.0 0.1 35.9 67.5 86 93 A S S S- 0 0 68 -2,-0.4 2,-0.1 1,-0.1 -15,-0.1 -0.562 70.8-126.5 -85.0 137.7 2.5 35.0 64.6 87 94 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.431 29.3-109.1 -74.7 156.2 3.1 31.4 63.4 88 95 A S > - 0 0 42 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.350 34.2-100.8 -76.0 167.1 6.6 30.1 63.2 89 96 A V H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.895 124.9 45.0 -57.3 -44.6 8.3 29.5 59.8 90 97 A S H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.823 112.8 51.8 -67.2 -35.9 7.6 25.7 60.0 91 98 A E H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.928 110.7 47.2 -67.1 -45.8 4.0 26.3 61.2 92 99 A A H X S+ 0 0 4 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.763 111.7 52.1 -66.4 -28.8 3.3 28.7 58.3 93 100 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.2 -56,-0.2 0.896 110.8 46.2 -72.1 -44.8 4.9 26.2 55.8 94 101 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.863 114.8 47.9 -63.9 -39.7 2.7 23.3 57.0 95 102 A L H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 7,-0.3 0.828 110.4 51.8 -72.3 -34.3 -0.4 25.5 57.0 96 103 A A H < S+ 0 0 6 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.912 113.3 43.4 -67.1 -44.2 0.4 26.8 53.5 97 104 A A H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.817 112.9 53.8 -71.1 -32.3 0.8 23.3 52.1 98 105 A A H < S- 0 0 15 -4,-1.6 2,-0.2 1,-0.2 -2,-0.2 0.873 98.8-161.8 -69.7 -42.7 -2.3 22.1 53.9 99 106 A G >< + 0 0 31 -4,-2.1 3,-1.8 -5,-0.1 -1,-0.2 -0.580 37.0 21.2 99.8-155.4 -4.3 24.8 52.4 100 107 A A T 3 S- 0 0 88 1,-0.3 22,-0.5 -2,-0.2 3,-0.1 -0.498 124.1 -3.1 -93.8 160.7 -7.6 26.3 53.5 101 108 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 20,-0.2 2,-0.1 0.283 84.4 149.8 -72.0 94.9 -8.7 26.0 56.4 102 109 A A < - 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