==== 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 21-SEP-09 3JXP . COMPND 2 MOLECULE: COENZYME PQQ SYNTHESIS PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.METLITZKY,R.SCHWARZENBACHER . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 3 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 2 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 . 1 1 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 0 A M 0 0 64 0, 0.0 2,-0.5 0, 0.0 304,-0.2 0.000 360.0 360.0 360.0 126.1 -24.0 -0.7 -25.1 2 1 A M E -A 304 0A 0 302,-1.5 302,-2.0 186,-0.1 2,-0.5 -0.956 360.0-156.8-107.9 119.7 -23.5 -4.1 -23.4 3 2 A Y E -AB 303 46A 80 43,-2.7 43,-1.8 -2,-0.5 2,-0.5 -0.831 7.4-170.8 -97.8 129.5 -21.3 -4.0 -20.3 4 3 A I E -AB 302 45A 2 298,-2.4 298,-3.2 -2,-0.5 2,-0.5 -0.989 3.6-167.9-121.1 114.1 -19.7 -7.3 -19.3 5 4 A Q E -AB 301 44A 14 39,-2.4 39,-2.2 -2,-0.5 2,-0.9 -0.933 16.3-140.7-102.3 125.5 -18.0 -7.3 -15.9 6 5 A V E + B 0 43A 1 294,-3.3 293,-3.2 -2,-0.5 37,-0.2 -0.741 26.1 171.2 -81.6 105.7 -15.7 -10.2 -15.0 7 6 A L E S+ 0 0 8 35,-2.0 2,-0.3 -2,-0.9 32,-0.3 0.893 74.0 7.1 -80.8 -41.1 -16.4 -10.9 -11.3 8 7 A G E - B 0 42A 0 34,-2.1 34,-2.1 290,-0.1 -1,-0.3 -0.997 55.1-178.3-142.7 139.7 -14.4 -14.1 -11.2 9 8 A S + 0 0 0 30,-0.6 262,-2.1 -2,-0.3 261,-1.4 0.383 53.9 95.5-119.4 -0.9 -12.1 -15.6 -13.9 10 9 A A B -gh 40 271B 0 29,-2.5 31,-3.1 260,-0.3 262,-0.2 -0.504 69.9-116.5 -94.7 162.4 -10.9 -18.9 -12.3 11 10 A A > - 0 0 4 260,-1.8 3,-2.3 1,-0.2 260,-0.1 -0.156 65.5 -45.8 -76.6 178.9 -12.2 -22.4 -12.6 12 11 A G T 3 S+ 0 0 22 1,-0.3 261,-0.3 258,-0.1 -1,-0.2 -0.210 132.8 31.7 -48.4 136.9 -13.6 -24.4 -9.5 13 12 A G T 3 >S- 0 0 24 -3,-0.1 5,-0.5 259,-0.1 -1,-0.3 -0.034 102.9-131.1 98.9 -29.9 -11.3 -23.9 -6.6 14 13 A G T < 5 - 0 0 4 -3,-2.3 259,-0.3 3,-0.1 25,-0.2 -0.205 42.6 -43.7 79.8-171.8 -10.2 -20.4 -7.6 15 14 A F B 5S+I 38 0C 4 23,-3.0 23,-2.8 1,-0.3 2,-0.1 -0.955 131.8 23.8-144.1 120.2 -6.6 -19.2 -7.7 16 15 A P T 5S- 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.681 97.7-138.1 -67.8 152.8 -4.7 -20.0 -5.4 17 16 A Q T > 5 - 0 0 44 -2,-0.1 3,-2.0 -3,-0.1 -3,-0.1 -0.697 15.6-119.1 -85.0 138.4 -6.8 -23.0 -4.5 18 17 A W T 3 >S- 0 0 7 1,-0.1 4,-2.7 4,-0.1 5,-0.5 -0.040 74.3 -85.9 -60.8 176.0 1.0 -26.9 -7.3 23 22 A V H >5S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.882 128.9 45.0 -58.2 -38.3 3.7 -24.8 -9.1 24 23 A N H >5S+ 0 0 3 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.954 118.5 38.7 -70.7 -49.9 1.2 -21.9 -9.6 25 24 A C H >5S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 119.8 45.4 -73.1 -44.7 -0.4 -21.8 -6.2 26 25 A K H X5S+ 0 0 103 -4,-2.7 4,-3.0 2,-0.2 6,-0.2 0.946 115.2 48.5 -57.9 -47.2 2.8 -22.4 -4.2 27 26 A G H XXS+ 0 0 7 -4,-1.5 6,-1.4 -5,-0.5 5,-1.2 0.890 110.2 52.2 -65.1 -39.7 4.6 -19.9 -6.4 28 27 A Y H ><5S+ 0 0 88 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.927 113.9 42.9 -55.7 -48.2 1.8 -17.4 -5.9 29 28 A R H 3<5S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 111.4 54.2 -72.9 -34.9 2.1 -17.8 -2.1 30 29 A D H 3<5S- 0 0 98 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.655 107.6-124.4 -66.3 -21.4 5.9 -17.8 -2.1 31 30 A G T <<5S+ 0 0 63 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.523 85.0 108.4 83.6 9.2 5.9 -14.5 -4.0 32 31 A T < + 0 0 115 -5,-1.2 2,-0.4 -6,-0.2 -4,-0.2 0.557 62.5 69.6 -94.1 -13.9 8.2 -16.0 -6.7 33 32 A L S S- 0 0 38 -6,-1.4 2,-0.9 -9,-0.1 -2,-0.1 -0.857 77.5-132.1-106.8 142.5 5.5 -16.2 -9.4 34 33 A K + 0 0 125 -2,-0.4 246,-2.7 2,-0.0 247,-0.3 -0.854 59.5 125.3 -91.3 104.4 4.1 -13.2 -11.2 35 34 A A - 0 0 16 -2,-0.9 2,-0.5 244,-0.2 244,-0.1 -0.982 53.2-127.2-158.2 155.6 0.4 -14.0 -11.1 36 35 A T - 0 0 75 242,-0.4 262,-0.1 -2,-0.3 -2,-0.0 -0.949 30.3-112.7-117.3 131.7 -2.9 -12.4 -9.9 37 36 A A - 0 0 39 -2,-0.5 2,-0.4 -9,-0.1 261,-0.3 -0.231 35.2-161.9 -57.2 141.9 -5.3 -14.0 -7.5 38 37 A R B -I 15 0C 10 -23,-2.8 -23,-3.0 259,-0.1 2,-0.1 -0.999 11.6-143.9-135.7 139.3 -8.7 -15.0 -9.0 39 38 A T - 0 0 26 -2,-0.4 -29,-2.5 -32,-0.3 -30,-0.6 -0.336 49.7 -67.7 -85.8 170.8 -12.1 -15.8 -7.6 40 39 A Q B -g 10 0B 20 -32,-0.2 18,-0.2 -31,-0.2 -29,-0.2 -0.390 69.0 -75.8 -76.6 141.3 -14.4 -18.4 -9.2 41 40 A S + 0 0 2 -31,-3.1 2,-0.3 -2,-0.1 -32,-0.2 0.104 69.2 133.9 -38.5 128.2 -15.9 -17.8 -12.6 42 41 A S E -B 8 0A 0 -34,-2.1 -34,-2.1 -3,-0.1 -35,-2.0 -0.872 27.6-165.6-177.7 133.9 -18.8 -15.4 -12.8 43 42 A I E -BC 6 55A 0 12,-1.5 12,-3.3 -2,-0.3 2,-0.4 -0.884 9.5-147.6-125.4 157.8 -19.9 -12.4 -15.0 44 43 A A E -BC 5 54A 0 -39,-2.2 -39,-2.4 -2,-0.3 2,-0.4 -0.981 14.1-156.6-126.0 141.7 -22.4 -9.7 -14.7 45 44 A L E +BC 4 53A 1 8,-2.6 8,-2.9 -2,-0.4 2,-0.3 -0.947 13.3 173.5-121.0 142.1 -24.3 -8.1 -17.7 46 45 A S E -B 3 0A 0 -43,-1.8 -43,-2.7 -2,-0.4 6,-0.1 -0.996 28.4-165.1-143.4 146.4 -25.9 -4.7 -18.2 47 46 A D S S+ 0 0 7 4,-0.4 5,-0.1 -2,-0.3 -1,-0.1 0.541 102.1 20.9 -97.5 -7.4 -27.6 -2.7 -21.0 48 47 A D S S- 0 0 66 3,-0.4 4,-0.1 -45,-0.1 -46,-0.1 0.484 100.7-114.2-137.4 -15.3 -27.4 0.6 -18.9 49 48 A G S S+ 0 0 23 2,-0.4 3,-0.1 -46,-0.1 -47,-0.0 0.436 105.0 69.9 94.1 -2.1 -24.7 0.2 -16.2 50 49 A V S S+ 0 0 71 1,-0.3 2,-0.5 21,-0.0 -4,-0.0 0.723 89.2 53.4-117.7 -42.7 -27.3 0.3 -13.4 51 50 A H S S- 0 0 61 100,-0.1 -3,-0.4 31,-0.1 -2,-0.4 -0.904 74.1-163.9-105.9 129.3 -29.3 -2.9 -13.7 52 51 A W E - d 0 82A 8 29,-1.7 31,-3.0 -2,-0.5 32,-1.1 -0.916 18.7-154.2-125.8 139.8 -27.2 -6.1 -13.6 53 52 A I E -Cd 45 84A 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.4 -0.952 20.1-144.9-109.9 120.7 -27.8 -9.7 -14.5 54 53 A L E -Cd 44 85A 1 30,-2.6 32,-3.0 -2,-0.6 2,-0.7 -0.751 4.1-154.0 -85.4 127.6 -25.5 -12.1 -12.7 55 54 A C E S-Cd 43 86A 0 -12,-3.3 -12,-1.5 -2,-0.4 32,-0.2 -0.933 71.5 -11.0-106.5 104.3 -24.4 -15.2 -14.7 56 55 A N - 0 0 0 30,-2.4 2,-0.6 -2,-0.7 -1,-0.2 0.460 69.7-122.9 73.8 141.4 -23.6 -17.8 -12.1 57 56 A A - 0 0 0 37,-2.5 40,-2.8 -3,-0.1 41,-0.5 -0.886 33.3-161.3-119.2 95.0 -23.4 -17.2 -8.3 58 57 A S > - 0 0 0 -2,-0.6 3,-1.3 -18,-0.2 36,-0.2 -0.158 32.4-110.2 -75.1 162.7 -20.0 -18.4 -7.2 59 58 A P T 3 S+ 0 0 49 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.679 119.1 60.3 -59.7 -22.9 -18.8 -19.2 -3.6 60 59 A D T 3> S+ 0 0 47 33,-0.2 4,-2.0 1,-0.2 3,-0.2 0.154 70.9 120.3 -88.8 14.7 -16.7 -16.0 -3.8 61 60 A I H <> + 0 0 1 -3,-1.3 4,-2.6 1,-0.2 5,-0.3 0.838 64.9 56.9 -55.7 -42.3 -19.8 -13.9 -4.3 62 61 A R H > S+ 0 0 188 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.954 113.2 39.4 -57.8 -50.8 -19.4 -11.7 -1.3 63 62 A A H > S+ 0 0 61 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.847 114.2 56.4 -66.5 -29.1 -15.9 -10.5 -2.2 64 63 A Q H < S+ 0 0 6 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.932 109.7 43.2 -70.6 -41.2 -16.9 -10.2 -5.9 65 64 A L H >< S+ 0 0 35 -4,-2.6 3,-1.6 1,-0.2 6,-0.3 0.929 112.2 55.5 -66.9 -44.1 -19.9 -7.8 -5.2 66 65 A Q H 3< S+ 0 0 152 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.837 106.0 51.5 -53.5 -41.4 -17.7 -5.8 -2.7 67 66 A A T 3< S+ 0 0 89 -4,-1.7 2,-0.5 1,-0.2 -1,-0.3 0.495 102.7 64.3 -79.7 -6.0 -15.1 -5.3 -5.5 68 67 A F X - 0 0 27 -3,-1.6 3,-2.3 -4,-0.3 4,-0.2 -0.877 69.3-160.1-125.6 99.0 -17.6 -4.0 -8.0 69 68 A A G > S+ 0 0 77 -2,-0.5 3,-3.0 1,-0.3 -1,-0.1 0.815 85.7 63.2 -50.1 -45.6 -19.2 -0.7 -6.9 70 69 A P G 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -18,-0.1 0.661 88.8 72.9 -58.3 -14.6 -22.4 -0.7 -9.1 71 70 A M G < S+ 0 0 5 -3,-2.3 10,-2.1 -6,-0.3 11,-0.4 0.624 102.6 44.1 -69.8 -15.3 -23.4 -3.9 -7.2 72 71 A Q < + 0 0 106 -3,-3.0 -1,-0.3 -4,-0.2 8,-0.1 -0.735 64.0 163.5-127.0 82.9 -24.1 -1.5 -4.3 73 72 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.695 39.0-142.5 -71.6 -19.1 -26.0 1.5 -5.8 74 73 A A + 0 0 75 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.912 50.2 142.9 64.4 51.3 -27.2 2.5 -2.2 75 74 A R S S+ 0 0 125 1,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.430 71.5 13.8-104.6 -2.7 -30.7 3.7 -3.1 76 75 A A S S- 0 0 62 1,-0.1 -1,-0.1 0, 0.0 3,-0.1 -0.940 88.7 -96.2-158.9 168.9 -32.2 2.3 0.0 77 76 A L S S+ 0 0 189 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.861 123.4 34.8 -61.2 -39.9 -31.0 1.0 3.4 78 77 A R S S+ 0 0 218 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.988 90.2 135.2-112.6 121.5 -31.3 -2.5 1.9 79 78 A D - 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