==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-SEP-12 4H3V . COMPND 2 MOLECULE: OXIDOREDUCTASE DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KRIBBELLA FLAVIDA; . AUTHOR K.MICHALSKA,J.C.MACK,S.M.MCKNIGHT,M.ENDRES,A.JOACHIMIAK,MIDW . 760 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 13.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 62 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 5 0 0 0 0 0 2 4 2 0 0 0 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 0 0 4 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 2 2 4 0 2 4 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 . 2 0 0 0 2 0 0 2 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 A X 0 0 173 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 77.1 50.1 137.7 2 2 A T + 0 0 103 1,-0.1 32,-2.6 32,-0.1 2,-0.3 0.442 360.0 55.5-118.2 -18.2 74.6 50.4 140.6 3 3 A N E -a 34 0A 58 30,-0.2 2,-0.5 32,-0.0 -1,-0.1 -0.882 62.7-151.5-122.6 157.1 71.9 52.3 138.7 4 4 A L E -a 35 0A 0 30,-2.6 32,-2.4 -2,-0.3 2,-0.3 -0.955 18.3-141.2-129.9 107.7 69.9 51.6 135.5 5 5 A G E -a 36 0A 1 -2,-0.5 69,-3.0 30,-0.2 70,-1.9 -0.569 18.9-157.1 -73.4 128.3 68.7 54.7 133.6 6 6 A I E -ab 37 75A 0 30,-2.9 33,-1.9 -2,-0.3 32,-1.3 -0.859 13.9-174.1-109.6 137.8 65.2 54.4 132.1 7 7 A G E -ab 39 76A 0 68,-2.2 70,-3.0 -2,-0.4 2,-0.4 -0.996 13.5-155.3-121.5 136.1 63.6 56.2 129.2 8 8 A L E -ab 40 77A 0 31,-2.6 33,-2.6 -2,-0.4 2,-0.5 -0.946 7.9-169.1-118.6 130.4 59.9 55.6 128.4 9 9 A I E S+ab 41 78A 9 68,-2.9 70,-3.5 -2,-0.4 71,-0.4 -0.981 71.2 35.3-113.4 124.7 58.2 56.1 125.1 10 10 A G >> + 0 0 9 31,-0.6 4,-1.7 -2,-0.5 3,-1.7 0.735 57.7 157.9 106.3 34.0 54.4 56.1 124.9 11 11 A Y H 3> S+ 0 0 49 30,-0.6 4,-1.6 1,-0.3 5,-0.4 0.797 71.6 63.4 -58.4 -30.3 53.3 57.7 128.2 12 12 A A H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 68,-0.0 0.731 110.5 37.9 -68.7 -21.5 49.9 58.5 126.8 13 13 A F H <4 S- 0 0 87 -3,-1.7 -2,-0.2 68,-0.0 -1,-0.2 0.864 143.0 -6.8 -93.7 -48.9 49.1 54.8 126.3 14 14 A X H X S+ 0 0 51 -4,-1.7 4,-2.8 2,-0.1 5,-0.3 0.130 89.2 123.3-137.6 18.7 50.5 53.0 129.4 15 15 A G H X S+ 0 0 1 -4,-1.6 4,-2.4 -5,-0.4 5,-0.2 0.849 76.4 48.0 -58.3 -39.4 52.5 55.7 131.2 16 16 A A H > S+ 0 0 67 -5,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.946 115.4 43.0 -69.4 -48.5 50.7 55.3 134.5 17 17 A A H > S+ 0 0 16 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.885 120.2 41.9 -65.8 -40.6 50.9 51.5 134.7 18 18 A H H X S+ 0 0 4 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.887 113.4 51.5 -73.0 -39.4 54.5 51.4 133.6 19 19 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.920 105.3 54.5 -67.3 -41.6 55.7 54.4 135.7 20 20 A Q H X S+ 0 0 19 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.871 107.5 52.8 -61.0 -34.9 54.3 53.1 139.0 21 21 A A H X S+ 0 0 1 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.917 109.1 46.9 -64.4 -46.1 56.2 49.9 138.4 22 22 A W H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.6 46.0 -64.0 -37.3 59.6 51.6 137.9 23 23 A R H < S+ 0 0 91 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.895 119.4 38.4 -68.1 -43.1 58.9 53.8 141.0 24 24 A S H >X S+ 0 0 27 -4,-2.5 4,-1.6 -5,-0.2 3,-1.4 0.793 94.5 80.2 -83.3 -31.4 57.8 50.9 143.2 25 25 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 3,-0.4 0.879 95.9 42.0 -50.6 -51.6 60.0 48.1 142.3 26 26 A P H 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.632 112.5 56.7 -72.9 -12.0 63.2 49.1 144.3 27 27 A R H <4 S+ 0 0 201 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.763 118.3 29.7 -83.3 -30.2 61.1 50.1 147.3 28 28 A F H < S+ 0 0 70 -4,-1.6 2,-0.3 -3,-0.4 -3,-0.1 0.649 123.5 44.7-104.4 -18.9 59.4 46.7 147.7 29 29 A F S < S- 0 0 31 -4,-2.1 2,-1.2 -5,-0.3 -1,-0.1 -0.908 81.0-120.1-127.8 148.2 62.1 44.4 146.3 30 30 A D - 0 0 163 -2,-0.3 -3,-0.1 -3,-0.1 -5,-0.0 -0.780 43.3-167.5 -89.2 95.8 65.9 44.4 147.0 31 31 A L - 0 0 23 -2,-1.2 3,-0.1 -5,-0.2 312,-0.0 -0.590 29.1-135.9 -91.0 148.8 67.1 45.0 143.4 32 32 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.668 95.8 31.3 -77.0 -18.3 70.6 44.5 142.2 33 33 A L S S- 0 0 14 -29,-0.0 -30,-0.2 2,-0.0 -31,-0.1 -0.995 82.9-127.0-134.6 146.3 70.4 47.8 140.2 34 34 A H E -a 3 0A 83 -32,-2.6 -30,-2.6 -2,-0.3 2,-0.3 -0.802 22.9-135.7 -93.5 117.9 68.3 50.9 141.0 35 35 A P E -a 4 0A 3 0, 0.0 2,-0.5 0, 0.0 -30,-0.2 -0.566 16.3-157.0 -75.8 129.4 66.0 52.0 138.2 36 36 A D E -a 5 0A 45 -32,-2.4 -30,-2.9 -2,-0.3 2,-1.8 -0.929 14.7-138.4-108.3 122.2 66.2 55.8 137.6 37 37 A L E +a 6 0A 19 -2,-0.5 21,-2.3 19,-0.2 22,-0.1 -0.577 46.8 151.9 -80.1 83.3 63.2 57.4 135.9 38 38 A N E + 0 0 26 -2,-1.8 21,-1.7 -32,-1.3 2,-0.4 0.891 48.8 26.3 -88.3 -44.8 65.3 59.7 133.8 39 39 A V E -ac 7 59A 0 -33,-1.9 -31,-2.6 -3,-0.2 2,-0.5 -0.970 48.2-170.7-137.0 125.7 63.5 60.5 130.5 40 40 A L E -ac 8 60A 0 19,-2.4 21,-1.7 -2,-0.4 2,-0.4 -0.949 21.2-147.6-109.3 128.9 60.0 60.7 129.3 41 41 A C E +ac 9 61A 10 -33,-2.6 -31,-0.6 -2,-0.5 -30,-0.6 -0.764 31.1 141.0 -99.9 135.5 59.4 61.1 125.6 42 42 A G - 0 0 10 19,-2.4 6,-0.1 -2,-0.4 7,-0.1 -0.870 45.2-138.5-170.2 142.9 56.6 63.0 124.0 43 43 A R S S+ 0 0 221 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 0.702 92.5 73.3 -75.6 -21.4 56.1 65.3 121.0 44 44 A D S > S- 0 0 94 1,-0.2 4,-2.5 2,-0.0 5,-0.3 -0.856 71.7-163.1 -97.7 104.0 53.8 67.7 122.8 45 45 A A H > S+ 0 0 35 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.864 84.0 46.5 -65.6 -38.7 56.2 69.5 125.1 46 46 A E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 114.6 47.2 -71.2 -39.4 53.7 71.0 127.5 47 47 A A H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 112.8 48.2 -69.2 -39.3 51.8 67.7 127.9 48 48 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.870 109.0 53.4 -73.7 -33.1 54.9 65.6 128.4 49 49 A R H X S+ 0 0 149 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.936 111.0 47.6 -62.4 -42.7 56.3 68.1 131.0 50 50 A A H X S+ 0 0 62 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.939 113.0 48.1 -63.0 -47.0 53.0 67.8 132.9 51 51 A A H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.867 107.2 56.4 -60.9 -39.6 53.1 64.0 132.6 52 52 A A H X>S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 5,-1.7 0.910 108.1 47.3 -62.4 -39.3 56.7 63.9 133.8 53 53 A G H <5S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.882 116.0 45.1 -70.3 -35.3 55.8 65.8 137.0 54 54 A K H <5S+ 0 0 183 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.912 120.7 37.6 -68.0 -42.8 52.9 63.5 137.6 55 55 A L H <5S- 0 0 25 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.548 113.0-106.8 -96.6 -13.6 54.6 60.2 136.9 56 56 A G T <5 + 0 0 41 -4,-1.8 2,-0.4 1,-0.3 -19,-0.2 0.736 62.1 148.2 99.6 26.9 58.1 60.9 138.4 57 57 A W < - 0 0 11 -5,-1.7 -1,-0.3 -6,-0.2 -19,-0.2 -0.790 39.4-146.8 -99.0 138.4 60.4 61.5 135.4 58 58 A S S S+ 0 0 95 -21,-2.3 2,-0.3 -2,-0.4 -19,-0.2 0.846 74.0 5.9 -72.2 -41.8 63.4 63.8 135.7 59 59 A T E -c 39 0A 55 -21,-1.7 -19,-2.4 -22,-0.1 2,-0.3 -0.867 64.7-138.3-138.1 168.4 63.6 65.2 132.1 60 60 A T E -c 40 0A 37 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.930 6.9-159.7-130.5 158.0 61.7 65.1 128.8 61 61 A E E -c 41 0A 51 -21,-1.7 -19,-2.4 -2,-0.3 6,-0.0 -0.999 13.8-153.9-137.9 137.5 62.6 64.7 125.2 62 62 A T S S+ 0 0 82 -2,-0.4 2,-0.6 -21,-0.2 -1,-0.1 0.782 85.9 54.6 -69.1 -39.1 60.5 65.6 122.1 63 63 A D >> - 0 0 81 1,-0.1 3,-1.8 -21,-0.0 4,-0.6 -0.921 69.7-151.4-109.4 118.9 62.3 63.1 119.8 64 64 A W H >> S+ 0 0 39 -2,-0.6 3,-1.0 1,-0.3 4,-0.6 0.800 94.8 68.7 -59.0 -30.8 62.4 59.5 120.8 65 65 A R H >4 S+ 0 0 115 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.770 88.0 67.0 -57.7 -26.4 65.6 59.1 118.9 66 66 A T H X> S+ 0 0 43 -3,-1.8 3,-1.8 1,-0.2 4,-1.1 0.857 89.8 62.9 -65.6 -35.4 67.3 61.3 121.5 67 67 A L H << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.6 3,-0.2 0.830 97.8 57.5 -57.0 -31.3 66.8 58.6 124.2 68 68 A L T << S+ 0 0 11 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.607 107.5 47.7 -77.4 -11.7 69.0 56.3 122.2 69 69 A E T <4 S+ 0 0 149 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 0.636 89.3 99.6 -99.2 -19.9 71.9 58.9 122.3 70 70 A R >< - 0 0 52 -4,-1.1 3,-1.7 -3,-0.2 -4,-0.0 -0.534 61.6-150.2 -80.2 127.9 71.7 59.7 126.0 71 71 A D T 3 S+ 0 0 147 -2,-0.3 -66,-0.2 1,-0.3 -1,-0.1 0.700 97.1 64.1 -63.5 -20.2 74.2 58.0 128.4 72 72 A D T 3 S+ 0 0 56 1,-0.1 2,-0.6 -68,-0.1 -1,-0.3 0.345 89.0 78.2 -89.3 10.1 71.6 58.3 131.2 73 73 A V < + 0 0 0 -3,-1.7 -67,-0.2 -6,-0.2 3,-0.1 -0.961 43.2 154.6-115.3 110.7 69.3 55.9 129.3 74 74 A Q S S+ 0 0 51 -69,-3.0 24,-2.5 -2,-0.6 2,-0.4 0.612 71.1 34.4 -99.4 -24.4 70.3 52.3 129.6 75 75 A L E -bd 6 98A 0 -70,-1.9 -68,-2.2 22,-0.2 2,-0.5 -1.000 68.0-151.2-139.2 130.5 66.9 50.8 129.0 76 76 A V E -bd 7 99A 0 22,-2.9 24,-2.3 -2,-0.4 2,-0.7 -0.932 6.7-155.1-105.7 124.8 64.1 51.9 126.8 77 77 A D E -bd 8 100A 0 -70,-3.0 -68,-2.9 -2,-0.5 2,-0.8 -0.891 10.7-159.3-100.5 110.9 60.5 51.1 127.8 78 78 A V E +bd 9 101A 0 22,-3.4 24,-2.4 -2,-0.7 -68,-0.2 -0.864 24.8 159.2-101.5 107.7 58.3 51.1 124.6 79 79 A C + 0 0 4 -70,-3.5 -69,-0.2 -2,-0.8 -1,-0.1 0.240 35.0 113.5-108.5 1.9 54.6 51.6 125.4 80 80 A T S S- 0 0 18 -71,-0.4 22,-0.2 1,-0.2 -2,-0.0 -0.148 77.2 -74.3 -71.7 173.0 53.2 52.8 122.2 81 81 A P > - 0 0 14 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.157 53.3 -96.6 -60.7 160.6 50.7 50.8 119.9 82 82 A G G >> S+ 0 0 6 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.761 114.4 74.2 -53.9 -29.9 52.0 47.9 117.9 83 83 A D G 34 S+ 0 0 68 100,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.707 104.2 37.6 -62.4 -19.8 52.5 49.9 114.7 84 84 A S G <> S+ 0 0 20 -3,-1.9 4,-2.0 99,-0.2 5,-0.3 0.435 89.5 93.4-110.1 1.2 55.6 51.5 116.2 85 85 A H H <> S+ 0 0 0 -3,-1.3 4,-2.7 -4,-0.4 5,-0.4 0.903 85.8 47.3 -64.7 -44.1 57.2 48.7 118.1 86 86 A A H X S+ 0 0 13 -4,-0.5 4,-2.2 1,-0.2 5,-0.4 0.961 112.9 47.4 -66.3 -46.5 59.5 47.4 115.4 87 87 A E H > S+ 0 0 113 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 120.4 37.5 -57.7 -48.4 61.0 50.8 114.4 88 88 A I H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.948 118.0 46.2 -75.5 -46.7 61.6 51.8 118.0 89 89 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.906 113.0 48.9 -66.9 -42.1 62.8 48.6 119.5 90 90 A I H X S+ 0 0 31 -4,-2.2 4,-2.5 -5,-0.4 -1,-0.2 0.940 113.5 47.4 -61.3 -46.1 65.2 47.6 116.7 91 91 A A H X S+ 0 0 13 -4,-1.4 4,-1.4 -5,-0.4 -2,-0.2 0.906 112.2 50.4 -58.8 -44.8 66.7 51.1 116.8 92 92 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.4 0.940 111.8 46.4 -61.7 -48.6 67.0 50.9 120.6 93 93 A L H ><5S+ 0 0 8 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.902 110.9 52.9 -60.2 -42.3 68.7 47.5 120.5 94 94 A E H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 106.1 55.1 -66.3 -23.6 71.1 48.7 117.7 95 95 A A T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.305 124.0-106.3 -87.6 4.6 72.0 51.7 119.9 96 96 A G T < 5S+ 0 0 36 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.726 74.4 138.4 76.9 23.9 72.9 49.3 122.7 97 97 A K < - 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