==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 31-JAN-09 3G2B . COMPND 2 MOLECULE: COENZYME PQQ SYNTHESIS PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR C.-Y.YANG,T.-Y.TSAI . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 56.7 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 . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.3 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 1 0 0 1 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A T 0 0 180 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.6 -21.3 16.6 19.4 2 4 A I + 0 0 142 4,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.822 360.0 153.4 -96.5 126.5 -21.9 18.2 16.0 3 5 A S > - 0 0 65 -2,-0.5 3,-2.0 0, 0.0 0, 0.0 -0.806 62.5 -83.6-138.7-179.6 -23.9 16.2 13.5 4 6 A R T 3 S+ 0 0 231 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.702 125.7 61.2 -62.9 -17.1 -26.1 16.8 10.5 5 7 A D T 3 S+ 0 0 127 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.472 77.2 115.5 -89.3 -2.3 -29.0 17.2 13.0 6 8 A S < - 0 0 39 -3,-2.0 -4,-0.1 1,-0.1 0, 0.0 -0.425 48.7-162.7 -69.0 141.1 -27.4 20.2 14.8 7 9 A C - 0 0 126 -2,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.644 21.8-174.8-126.5 72.6 -29.4 23.4 14.6 8 10 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.170 15.8-169.8 -70.5 159.9 -26.8 26.1 15.5 9 11 A A - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.963 35.7-103.0-142.6 146.4 -27.2 29.8 16.1 10 12 A L - 0 0 112 -2,-0.3 3,-0.1 1,-0.1 5,-0.0 -0.548 45.6-110.9 -71.8 141.3 -24.3 32.3 16.5 11 13 A R > - 0 0 197 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 -0.262 45.8 -75.5 -68.9 161.5 -23.9 33.2 20.2 12 14 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.2 17,-0.0 3,-0.1 -0.285 120.0 18.7 -57.8 136.7 -24.8 36.8 21.3 13 15 A G T 3 S+ 0 0 50 1,-0.3 2,-0.8 -3,-0.1 -1,-0.3 0.205 91.1 120.3 87.5 -19.1 -22.2 39.3 20.4 14 16 A V < + 0 0 35 -3,-1.9 2,-0.3 15,-0.1 -1,-0.3 -0.721 44.4 175.7 -81.9 112.4 -20.7 37.0 17.7 15 17 A R E -A 28 0A 150 13,-1.7 13,-2.7 -2,-0.8 2,-0.3 -0.906 33.2-118.4-126.0 152.0 -21.0 39.1 14.6 16 18 A L E -A 27 0A 108 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.661 34.4-174.9 -83.0 135.1 -20.0 38.8 10.9 17 19 A Q E -A 26 0A 69 9,-2.8 9,-2.6 -2,-0.3 2,-0.9 -0.998 25.5-138.9-136.1 139.0 -17.7 41.5 9.7 18 20 A H E -A 25 0A 81 -2,-0.4 2,-1.9 7,-0.2 7,-0.2 -0.837 14.9-159.8 -94.5 103.3 -16.3 42.3 6.2 19 21 A D E >>> +A 24 0A 42 5,-2.4 5,-1.8 -2,-0.9 4,-0.6 -0.632 15.9 177.8 -84.8 82.7 -12.6 43.2 6.8 20 22 A R G >45S+ 0 0 201 -2,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.862 72.4 58.4 -54.5 -42.9 -12.3 45.0 3.5 21 23 A A G 345S+ 0 0 101 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.886 115.5 35.9 -57.1 -40.3 -8.7 46.1 4.1 22 24 A R G <45S- 0 0 170 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.377 108.1-125.5 -95.6 4.5 -7.6 42.5 4.5 23 25 A D T <<5S+ 0 0 140 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.917 72.4 106.5 50.9 51.2 -10.1 41.2 1.8 24 26 A Q E < -A 19 0A 73 -5,-1.8 -5,-2.4 2,-0.0 2,-0.4 -0.989 64.2-128.8-152.7 158.3 -11.6 38.7 4.2 25 27 A W E +A 18 0A 161 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.861 32.6 176.8-108.0 146.3 -14.7 38.0 6.2 26 28 A V E -A 17 0A 37 -9,-2.6 -9,-2.8 -2,-0.4 2,-0.5 -0.922 31.7-123.0-143.7 167.0 -14.5 37.1 9.9 27 29 A L E -A 16 0A 95 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.958 26.1-147.2-110.2 131.5 -16.6 36.4 12.9 28 30 A L E -A 15 0A 51 -13,-2.7 -13,-1.7 -2,-0.5 -2,-0.0 -0.919 10.1-155.7-103.5 118.3 -15.8 38.7 15.8 29 31 A A - 0 0 84 -2,-0.6 -15,-0.1 -15,-0.2 -16,-0.1 -0.797 19.9-119.6 -94.4 134.6 -16.2 37.0 19.2 30 32 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -16,-0.1 -0.241 34.2 -87.6 -71.2 159.8 -16.9 39.2 22.2 31 33 A E - 0 0 198 1,-0.1 2,-0.3 -18,-0.1 0, 0.0 -0.293 49.3-145.1 -61.1 151.2 -14.7 39.5 25.3 32 34 A R - 0 0 138 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.861 8.7-145.2-124.4 159.2 -15.6 37.0 27.9 33 35 A V - 0 0 143 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.989 12.1-172.9-125.4 126.9 -15.6 36.9 31.7 34 36 A V - 0 0 47 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.977 21.7-132.1-123.5 118.3 -14.7 33.8 33.7 35 37 A E - 0 0 167 -2,-0.5 2,-0.4 1,-0.0 -2,-0.0 -0.461 19.5-167.6 -72.3 137.1 -15.2 33.8 37.5 36 38 A L - 0 0 60 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.992 7.1-170.4-124.5 127.3 -12.4 32.6 39.7 37 39 A D > - 0 0 95 -2,-0.4 3,-2.0 4,-0.0 4,-0.2 -0.949 44.9 -40.0-127.6 145.2 -13.0 31.9 43.4 38 40 A D T >> S+ 0 0 140 -2,-0.4 3,-1.2 1,-0.3 4,-1.0 -0.187 129.7 10.5 50.7-120.2 -10.7 31.2 46.3 39 41 A I H 3> S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.788 123.1 65.6 -61.7 -26.3 -7.9 28.8 45.4 40 42 A A H <> S+ 0 0 12 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.832 96.9 57.3 -63.4 -32.1 -8.6 29.1 41.7 41 43 A L H <> S+ 0 0 108 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.928 109.6 43.9 -63.2 -44.4 -7.6 32.8 42.0 42 44 A V H X S+ 0 0 32 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.916 111.7 52.8 -67.7 -43.5 -4.2 31.7 43.3 43 45 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.923 106.8 52.1 -58.8 -46.4 -3.8 29.0 40.7 44 46 A A H < S+ 0 0 34 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.862 111.2 48.4 -58.6 -36.1 -4.5 31.3 37.8 45 47 A Q H < S+ 0 0 129 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 108.2 55.7 -74.1 -30.0 -1.8 33.7 39.2 46 48 A R H < S+ 0 0 72 -4,-1.9 5,-0.2 -3,-0.2 -2,-0.2 0.675 77.9 109.1 -78.3 -19.7 0.7 30.8 39.6 47 49 A Y < + 0 0 59 -4,-1.2 5,-0.1 -3,-0.3 6,-0.0 -0.365 30.6 156.6 -57.5 135.2 0.6 29.7 35.9 48 50 A D - 0 0 83 3,-0.3 -1,-0.1 -2,-0.0 4,-0.1 0.195 60.7-107.8-147.2 15.6 3.9 30.6 34.3 49 51 A G S S+ 0 0 58 2,-0.2 -2,-0.1 1,-0.1 3,-0.1 0.659 111.1 62.0 63.3 17.2 4.2 28.2 31.4 50 52 A T S S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.554 80.4 74.3-132.9 -57.9 6.9 26.3 33.2 51 53 A Q S S- 0 0 81 -5,-0.2 -3,-0.3 1,-0.1 -1,-0.2 -0.381 76.3-130.7 -64.9 141.5 5.6 24.9 36.5 52 54 A S > - 0 0 51 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.453 22.6-108.7 -88.7 166.8 3.4 21.8 36.1 53 55 A L H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 122.1 56.4 -63.4 -33.7 0.0 21.4 37.8 54 56 A A H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 109.9 44.3 -62.0 -45.7 1.6 18.8 40.1 55 57 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.903 112.7 51.5 -65.9 -41.7 4.2 21.4 41.1 56 58 A I H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.926 112.3 46.6 -61.8 -43.2 1.6 24.1 41.6 57 59 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.900 111.4 50.5 -66.2 -42.1 -0.5 21.8 43.7 58 60 A Q H X S+ 0 0 120 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.929 113.3 46.8 -61.3 -44.9 2.4 20.7 45.9 59 61 A T H X S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.954 115.7 43.9 -61.7 -53.1 3.4 24.3 46.4 60 62 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 6,-0.2 0.888 111.5 52.7 -62.9 -40.6 -0.1 25.5 47.3 61 63 A A H <>S+ 0 0 3 -4,-2.8 5,-2.6 -5,-0.2 4,-0.3 0.919 112.4 46.3 -63.1 -39.6 -0.9 22.6 49.5 62 64 A A H ><5S+ 0 0 63 -4,-1.9 3,-0.8 -5,-0.2 -2,-0.2 0.915 113.7 48.4 -67.6 -42.4 2.3 23.2 51.5 63 65 A E H 3<5S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 119.5 37.7 -64.9 -39.0 1.6 27.0 51.7 64 66 A F T 3<5S- 0 0 112 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.251 106.4-121.1 -98.7 13.3 -2.0 26.5 52.9 65 67 A D T < 5 + 0 0 157 -3,-0.8 2,-0.2 -4,-0.3 -3,-0.2 0.899 68.0 140.9 48.4 44.0 -1.3 23.4 55.1 66 68 A A < - 0 0 41 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.684 63.1 -85.2-112.5 167.0 -3.8 21.5 52.9 67 69 A D > - 0 0 81 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.608 32.4-148.0 -74.9 124.1 -3.8 18.0 51.6 68 70 A A H > S+ 0 0 37 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.836 94.5 55.2 -62.0 -38.0 -1.8 17.8 48.3 69 71 A S H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 111.4 45.8 -61.7 -45.7 -3.9 15.0 46.7 70 72 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 113.7 47.9 -61.9 -47.9 -7.1 17.1 47.2 71 73 A I H X S+ 0 0 23 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.887 108.1 55.3 -63.8 -38.0 -5.5 20.3 45.9 72 74 A E H X S+ 0 0 83 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.929 107.4 50.1 -61.8 -42.0 -4.1 18.5 42.9 73 75 A T H X S+ 0 0 88 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.943 112.8 46.8 -60.0 -45.9 -7.6 17.3 42.0 74 76 A D H X S+ 0 0 72 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.893 111.9 50.3 -63.3 -41.1 -8.9 20.9 42.4 75 77 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.921 112.7 46.3 -64.1 -44.5 -6.0 22.3 40.3 76 78 A I H X S+ 0 0 74 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.917 111.6 51.7 -65.3 -41.8 -6.6 19.8 37.5 77 79 A E H X S+ 0 0 128 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.940 112.7 45.3 -59.8 -47.8 -10.3 20.4 37.5 78 80 A L H X S+ 0 0 26 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.931 112.7 49.8 -61.3 -47.9 -9.9 24.2 37.3 79 81 A T H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.869 107.7 54.6 -60.7 -37.7 -7.3 24.0 34.5 80 82 A T H X S+ 0 0 68 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.933 110.0 47.0 -61.5 -45.3 -9.5 21.6 32.5 81 83 A T H X S+ 0 0 57 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.924 113.6 46.8 -62.5 -45.7 -12.3 24.2 32.7 82 84 A L H <>S+ 0 0 10 -4,-2.6 5,-2.1 1,-0.2 6,-0.3 0.850 111.7 51.9 -66.6 -32.7 -10.0 27.1 31.7 83 85 A H H ><5S+ 0 0 95 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.2 0.919 106.1 53.6 -69.1 -41.7 -8.5 25.0 28.9 84 86 A Q H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 105.0 55.9 -59.7 -34.2 -12.0 24.2 27.6 85 87 A K T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.329 116.3-117.2 -81.5 8.0 -12.7 27.9 27.5 86 88 A R T < 5S+ 0 0 210 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.850 78.0 125.8 60.8 39.2 -9.6 28.4 25.3 87 89 A L < + 0 0 81 -5,-2.1 2,-0.3 2,-0.0 -4,-0.2 0.528 52.3 72.9-104.6 -5.2 -7.8 30.5 27.9 88 90 A L - 0 0 47 -6,-0.3 2,-0.5 -5,-0.2 -2,-0.0 -0.792 58.5-148.4-119.7 156.4 -4.5 28.6 28.1 89 91 A R 0 0 197 -2,-0.3 -40,-0.1 -3,-0.0 -6,-0.0 -0.973 360.0 360.0-113.3 124.9 -1.3 28.0 26.3 90 92 A L 0 0 176 -2,-0.5 0, 0.0 -7,-0.0 0, 0.0 -0.531 360.0 360.0-105.2 360.0 0.1 24.5 27.0