==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-SEP-07 2VBU . COMPND 2 MOLECULE: RIBOFLAVIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS JANNASCHII; . AUTHOR M.D.HARTMANN,M.AMMELBURG,S.DJURANOVIC,J.MARTIN,A.N.LUPAS, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.4 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 . 45 34.4 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 . 2 1.5 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 . 17 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 11.5 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+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 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 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 4 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 2 A V 0 0 155 0, 0.0 2,-0.3 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 128.4 -29.6 -20.7 -8.2 2 3 A K - 0 0 135 127,-0.0 129,-3.8 2,-0.0 2,-0.6 -0.934 360.0-135.0-122.7 145.9 -30.7 -17.1 -8.9 3 4 A L E -A 130 0A 110 -2,-0.3 2,-0.4 127,-0.2 127,-0.2 -0.935 29.8-160.0 -96.6 118.5 -29.0 -14.5 -11.0 4 5 A M E -A 129 0A 62 125,-3.2 125,-2.5 -2,-0.6 2,-0.5 -0.842 11.0-151.9-105.5 137.4 -29.1 -11.3 -9.0 5 6 A I E -A 128 0A 110 -2,-0.4 2,-0.4 123,-0.2 123,-0.2 -0.937 19.9-178.6-106.1 121.3 -28.7 -7.8 -10.3 6 7 A I E -A 127 0A 28 121,-2.5 121,-2.4 -2,-0.5 2,-0.4 -0.936 16.7-139.1-122.7 142.7 -27.3 -5.3 -7.8 7 8 A E E +A 126 0A 109 -2,-0.4 41,-0.4 119,-0.2 2,-0.3 -0.809 21.5 179.2 -98.8 144.1 -26.6 -1.5 -8.3 8 9 A G E -A 125 0A 4 117,-2.8 117,-2.6 -2,-0.4 2,-0.4 -0.996 25.3-126.4-145.1 155.5 -23.6 0.3 -7.0 9 10 A E E -AB 124 46A 80 37,-2.8 37,-2.9 -2,-0.3 115,-0.2 -0.817 31.7-117.2 -99.2 128.6 -22.2 3.8 -7.0 10 11 A V E + B 0 45A 0 113,-3.0 112,-2.7 -2,-0.4 2,-0.3 -0.456 43.8 171.2 -66.7 127.6 -18.6 4.4 -8.2 11 12 A V E - B 0 44A 31 33,-2.5 33,-0.7 110,-0.2 2,-0.3 -0.895 28.6-117.7-134.0 164.3 -16.5 5.7 -5.5 12 13 A S - 0 0 80 -2,-0.3 2,-0.1 31,-0.1 31,-0.1 -0.759 25.4-175.4-102.2 150.4 -12.8 6.4 -4.9 13 14 A G - 0 0 44 -2,-0.3 -1,-0.1 31,-0.0 30,-0.0 -0.267 47.5 -79.6-117.5-149.4 -10.5 4.8 -2.4 14 15 A L S S- 0 0 156 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.095 71.7 -92.4-108.8 21.1 -6.9 5.3 -1.4 15 16 A G S > S+ 0 0 54 27,-0.1 4,-1.1 3,-0.0 3,-0.2 0.622 83.0 135.1 83.4 15.6 -5.4 3.4 -4.3 16 17 A E H > + 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.857 62.3 62.6 -68.1 -35.5 -5.2 0.1 -2.4 17 18 A G H > S+ 0 0 4 1,-0.2 4,-2.7 25,-0.2 24,-0.3 0.913 101.9 49.7 -58.9 -43.3 -6.5 -2.0 -5.3 18 19 A R H > S+ 0 0 120 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.852 108.3 56.3 -66.6 -33.1 -3.6 -1.2 -7.6 19 20 A Y H >< S+ 0 0 108 -4,-1.1 3,-0.6 -3,-0.2 4,-0.5 0.982 115.3 34.8 -56.9 -59.6 -1.1 -2.1 -4.8 20 21 A F H >< S+ 0 0 79 -4,-2.0 3,-1.6 1,-0.2 6,-0.3 0.925 115.7 53.0 -66.2 -45.8 -2.4 -5.6 -4.3 21 22 A L H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.656 104.1 58.4 -71.6 -12.5 -3.4 -6.4 -7.9 22 23 A S T << S+ 0 0 44 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.621 81.8 102.0 -86.4 -13.6 0.1 -5.5 -9.1 23 24 A L S X> S- 0 0 21 -3,-1.6 4,-2.5 -4,-0.5 3,-0.6 -0.530 79.1-127.1 -73.5 131.7 1.8 -8.0 -6.8 24 25 A P H 3> S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 104.5 52.2 -49.6 -45.3 2.8 -11.1 -8.8 25 26 A P H 3> S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.876 112.6 44.9 -62.6 -38.7 1.2 -13.7 -6.5 26 27 A Y H <> S+ 0 0 9 -3,-0.6 4,-2.6 -6,-0.3 5,-0.3 0.923 111.1 53.7 -69.4 -42.5 -2.2 -11.9 -6.7 27 28 A K H X S+ 0 0 55 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.905 111.3 46.9 -52.1 -46.7 -1.9 -11.4 -10.4 28 29 A E H X S+ 0 0 89 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.910 109.8 52.8 -64.5 -44.5 -1.3 -15.1 -10.8 29 30 A I H X S+ 0 0 32 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.936 113.6 42.7 -55.5 -48.9 -4.3 -16.1 -8.5 30 31 A F H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 6,-0.5 0.910 111.5 54.0 -70.2 -40.2 -6.7 -14.0 -10.4 31 32 A K H X S+ 0 0 78 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.924 113.5 43.6 -57.6 -44.6 -5.4 -15.1 -13.9 32 33 A K H < S+ 0 0 141 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.891 120.2 39.7 -70.8 -42.1 -5.8 -18.8 -12.9 33 34 A I H < S+ 0 0 48 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.906 129.5 26.7 -74.8 -42.1 -9.2 -18.4 -11.3 34 35 A L H < S- 0 0 33 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.592 95.4-126.7-100.4 -17.4 -10.8 -15.9 -13.7 35 36 A G S < S+ 0 0 68 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.627 80.0 82.7 77.3 13.3 -8.9 -16.6 -17.0 36 37 A F S S- 0 0 35 -6,-0.5 -2,-0.3 -5,-0.0 -1,-0.2 -0.976 80.9-117.4-140.7 154.4 -7.9 -13.0 -17.5 37 38 A E - 0 0 115 -2,-0.3 -9,-0.1 -3,-0.1 3,-0.1 -0.844 42.9-130.6 -86.4 111.7 -5.1 -10.8 -16.2 38 39 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -7,-0.1 -0.342 18.2-104.9 -65.0 147.3 -7.0 -8.1 -14.3 39 40 A Y - 0 0 63 70,-2.8 2,-1.5 72,-0.2 70,-0.3 -0.443 51.5-101.8 -53.5 139.9 -6.3 -4.4 -14.8 40 41 A E S S+ 0 0 51 70,-0.1 2,-0.3 -2,-0.1 -22,-0.1 -0.557 91.0 56.0 -82.3 90.2 -4.3 -3.6 -11.7 41 42 A G S S- 0 0 10 -2,-1.5 2,-0.4 -24,-0.3 68,-0.3 -0.911 74.5-113.1 168.7 167.3 -6.9 -1.9 -9.6 42 43 A T - 0 0 24 -2,-0.3 2,-0.7 66,-0.1 66,-0.2 -0.993 18.4-137.5-126.2 128.6 -10.3 -2.3 -8.0 43 44 A L E - C 0 107A 17 64,-2.8 64,-2.5 -2,-0.4 2,-0.5 -0.743 28.1-144.5 -81.1 117.9 -13.3 -0.3 -9.0 44 45 A N E -BC 11 106A 19 -2,-0.7 -33,-2.5 -33,-0.7 2,-0.4 -0.722 17.4-169.3 -91.4 128.8 -14.9 0.4 -5.7 45 46 A L E -BC 10 105A 0 60,-2.9 60,-2.8 -2,-0.5 2,-0.6 -0.978 14.7-144.4-121.5 135.4 -18.7 0.4 -5.6 46 47 A K E -BC 9 104A 85 -37,-2.9 -37,-2.8 -2,-0.4 58,-0.2 -0.870 21.4-161.0 -97.8 122.7 -20.9 1.7 -2.8 47 48 A L E - 0 0 12 56,-3.4 -39,-0.1 -2,-0.6 56,-0.1 -0.492 30.5-112.5 -97.4 168.8 -24.0 -0.4 -2.4 48 49 A D E S+ 0 0 122 -41,-0.4 2,-0.3 -2,-0.2 55,-0.1 0.595 100.1 13.3 -78.7 -12.3 -27.3 0.5 -0.6 49 50 A R E S- 0 0 164 54,-0.2 -2,-0.2 53,-0.1 53,-0.1 -0.969 100.9 -68.6-153.6 167.1 -26.6 -2.1 2.1 50 51 A E E - 0 0 116 -2,-0.3 2,-0.6 51,-0.1 53,-0.3 -0.294 45.4-129.8 -62.8 143.9 -23.7 -4.3 3.2 51 52 A F E - C 0 102A 16 51,-2.8 51,-0.8 53,-0.1 2,-0.8 -0.829 14.5-160.3 -97.9 119.7 -22.6 -7.0 0.9 52 53 A D > - 0 0 66 -2,-0.6 3,-1.5 1,-0.2 49,-0.1 -0.880 5.9-173.3-102.4 103.3 -22.4 -10.5 2.5 53 54 A I G > S+ 0 0 5 -2,-0.8 3,-2.4 1,-0.3 -1,-0.2 0.812 79.3 73.1 -66.9 -29.1 -20.1 -12.5 0.2 54 55 A N G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 4,-0.0 0.519 84.9 68.8 -65.1 -3.6 -20.8 -15.7 2.3 55 56 A K G < S+ 0 0 148 -3,-1.5 -1,-0.3 2,-0.0 2,-0.3 0.282 101.1 56.5 -88.6 6.4 -24.3 -15.5 0.6 56 57 A F S < S- 0 0 25 -3,-2.4 2,-0.7 75,-0.1 75,-0.1 -0.841 92.0-101.9-133.0 166.4 -22.6 -16.5 -2.7 57 58 A K + 0 0 188 73,-0.6 2,-0.3 -2,-0.3 73,-0.1 -0.849 54.8 158.2 -95.1 118.7 -20.4 -19.2 -4.1 58 59 A Y - 0 0 52 -2,-0.7 2,-0.5 19,-0.1 19,-0.2 -0.842 41.6-112.8-135.7 166.1 -16.8 -18.0 -4.3 59 60 A I E -D 76 0A 82 17,-2.4 17,-2.8 -2,-0.3 2,-0.5 -0.884 28.6-159.6-102.4 134.5 -13.3 -19.3 -4.4 60 61 A E E -D 75 0A 83 -2,-0.5 15,-0.2 15,-0.2 2,-0.2 -0.957 2.3-161.4-119.6 129.8 -11.1 -18.7 -1.4 61 62 A T - 0 0 26 13,-2.5 2,-0.2 -2,-0.5 12,-0.2 -0.545 22.0-110.6-100.3 168.8 -7.3 -18.8 -1.4 62 63 A E - 0 0 157 -2,-0.2 12,-0.2 1,-0.1 -1,-0.1 -0.616 37.6 -90.3 -94.6 158.8 -4.9 -19.1 1.5 63 64 A D - 0 0 49 -2,-0.2 2,-0.3 10,-0.2 9,-0.2 -0.211 51.8-169.5 -51.6 155.9 -2.5 -16.5 3.0 64 65 A F E -H 71 0B 38 7,-2.4 7,-3.6 -3,-0.1 2,-0.4 -0.962 22.0-111.2-150.2 163.3 1.0 -16.7 1.4 65 66 A E E +H 70 0B 140 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.860 29.5 178.9-101.9 134.1 4.5 -15.3 1.8 66 67 A F E > S-H 69 0B 49 3,-3.1 3,-2.1 -2,-0.4 -2,-0.0 -0.980 70.4 -22.2-137.2 123.8 5.9 -12.9 -0.7 67 68 A N T 3 S- 0 0 146 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.848 129.2 -46.7 42.4 46.5 9.4 -11.4 -0.3 68 69 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.396 118.6 100.8 88.2 -1.7 9.5 -12.1 3.4 69 70 A K E < -H 66 0B 121 -3,-2.1 -3,-3.1 0, 0.0 2,-0.5 -0.899 69.5-123.3-119.7 143.4 6.0 -10.8 4.3 70 71 A R E -H 65 0B 143 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.766 29.2-167.7 -84.4 127.4 2.8 -12.7 4.9 71 72 A F E -H 64 0B 10 -7,-3.6 -7,-2.4 -2,-0.5 2,-0.2 -0.844 22.0-106.9-114.0 154.4 -0.1 -11.6 2.6 72 73 A F - 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