==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 16-DEC-09 2X0Q . COMPND 2 MOLECULE: ALCALIGIN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR S.SCHMELZ,G.L.CHALLIS,J.H.NAISMITH . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 4 1 4 4 1 1 1 0 0 1 0 0 0 0 1 0 2 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 4 4 2 3 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 . 2 2 1 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 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 H > 0 0 181 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 127.9 40.9 -10.3 32.2 2 9 A P T 3 + 0 0 113 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.664 360.0 63.6 -56.8 -20.8 41.7 -10.0 28.5 3 10 A A T > S+ 0 0 55 1,-0.2 3,-1.8 2,-0.1 0, 0.0 0.831 86.8 69.3 -73.8 -33.3 38.3 -11.6 27.7 4 11 A E G X S+ 0 0 138 -3,-1.4 3,-2.0 1,-0.3 4,-0.3 0.769 81.0 76.9 -58.2 -27.7 36.2 -8.8 29.3 5 12 A I G 3 S+ 0 0 48 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.748 108.3 28.9 -57.4 -26.1 37.2 -6.4 26.5 6 13 A V G X S+ 0 0 59 -3,-1.8 3,-2.0 -4,-0.2 -1,-0.3 -0.056 78.7 126.3-125.6 34.7 34.7 -8.2 24.1 7 14 A A T < + 0 0 39 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.735 68.5 67.1 -61.4 -21.7 32.2 -9.3 26.8 8 15 A H T 3 S+ 0 0 29 -4,-0.3 2,-1.2 -3,-0.1 -1,-0.3 0.629 78.7 91.6 -74.5 -13.1 29.5 -7.5 24.6 9 16 A L < + 0 0 65 -3,-2.0 -1,-0.1 4,-0.1 -3,-0.1 -0.716 54.8 148.9 -87.8 93.4 30.1 -10.1 21.9 10 17 A Q > - 0 0 110 -2,-1.2 4,-2.4 1,-0.1 5,-0.2 -0.903 55.3-112.5-125.5 153.1 27.5 -12.7 22.7 11 18 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.870 110.2 44.8 -56.9 -44.5 25.6 -15.0 20.3 12 19 A E H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.913 116.4 43.1 -72.0 -43.1 22.1 -13.7 20.7 13 20 A I H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.864 112.2 56.2 -70.2 -35.5 22.9 -9.9 20.5 14 21 A W H X S+ 0 0 70 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.917 107.8 48.1 -59.3 -43.6 25.3 -10.7 17.6 15 22 A N H X S+ 0 0 68 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.907 110.0 53.0 -64.4 -40.2 22.4 -12.3 15.7 16 23 A K H X S+ 0 0 77 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.940 112.7 42.1 -57.6 -51.5 20.1 -9.3 16.5 17 24 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.801 111.6 54.9 -74.2 -28.5 22.6 -6.7 15.1 18 25 A N H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.900 106.8 51.6 -67.1 -40.2 23.5 -8.8 12.1 19 26 A R H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.905 111.2 48.1 -60.5 -44.0 19.8 -9.0 11.2 20 27 A L H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.857 112.5 47.8 -64.6 -37.6 19.6 -5.2 11.5 21 28 A L H X S+ 0 0 17 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.861 109.3 53.0 -75.2 -33.4 22.7 -4.6 9.3 22 29 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.902 107.9 52.8 -63.1 -39.0 21.5 -7.1 6.7 23 30 A R H X S+ 0 0 53 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.961 112.2 44.2 -59.4 -49.2 18.3 -5.1 6.5 24 31 A K H X S+ 0 0 15 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.904 113.8 50.5 -63.0 -42.9 20.2 -1.8 6.0 25 32 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.951 112.0 46.2 -59.0 -52.1 22.6 -3.5 3.4 26 33 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.944 117.4 45.0 -56.5 -48.1 19.6 -4.9 1.4 27 34 A S H X S+ 0 0 5 -4,-2.6 4,-2.1 -5,-0.3 46,-0.4 0.930 119.2 38.6 -62.8 -50.6 17.8 -1.5 1.5 28 35 A E H X S+ 0 0 4 -4,-3.2 4,-1.6 2,-0.2 6,-0.2 0.911 116.5 49.3 -72.7 -41.1 20.8 0.7 0.7 29 36 A Y H <>S+ 0 0 0 -4,-2.9 5,-2.3 -5,-0.3 6,-1.2 0.892 113.2 48.4 -65.2 -37.3 22.4 -1.6 -1.9 30 37 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.9 -5,-0.4 -1,-0.2 0.915 106.9 56.0 -65.6 -44.8 19.0 -2.0 -3.7 31 38 A H H 3<5S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.4 47.0 -52.4 -38.5 18.5 1.8 -3.6 32 39 A E T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.326 117.2-113.7 -89.4 7.4 21.8 2.2 -5.4 33 40 A W T < 5S+ 0 0 85 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.611 86.1 120.5 66.7 13.9 21.0 -0.5 -8.0 34 41 A L S S- 0 0 49 3,-0.1 3,-2.1 20,-0.1 -2,-0.3 -0.999 102.1 -98.7-126.6 132.1 3.0 -7.6 6.1 46 53 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.227 108.9 17.5 -54.5 133.6 -0.0 -5.6 4.9 47 54 A G T 3 S+ 0 0 53 1,-0.3 2,-0.3 -4,-0.1 -3,-0.1 0.405 106.6 106.7 85.0 -1.7 0.9 -3.0 2.2 48 55 A F < - 0 0 13 -3,-2.1 -5,-3.1 18,-0.1 -1,-0.3 -0.755 60.5-138.5-107.3 155.2 4.2 -4.7 1.5 49 56 A E E -AB 42 65A 65 16,-2.9 16,-2.5 -7,-0.3 2,-0.5 -0.784 23.3-117.5-103.0 155.1 5.4 -6.8 -1.5 50 57 A R E -AB 41 64A 21 -9,-3.7 -10,-3.5 -2,-0.3 -9,-1.1 -0.833 35.7-172.3 -92.4 129.2 7.5 -10.0 -1.2 51 58 A F E -AB 39 63A 16 12,-3.1 12,-2.1 -2,-0.5 2,-0.4 -0.876 9.1-152.7-123.1 155.7 10.9 -9.8 -2.8 52 59 A R E -AB 38 62A 76 -14,-2.3 -14,-3.1 -2,-0.3 2,-0.5 -0.969 7.5-161.9-129.8 141.3 13.7 -12.2 -3.5 53 60 A L E - B 0 61A 9 8,-2.3 8,-2.4 -2,-0.4 2,-0.5 -0.991 14.0-167.7-116.1 117.5 17.4 -12.0 -3.9 54 61 A T E - B 0 60A 95 -2,-0.5 2,-0.3 6,-0.2 6,-0.2 -0.931 3.4-163.3-106.1 122.5 18.9 -15.1 -5.6 55 62 A L > - 0 0 9 4,-2.7 3,-1.7 -2,-0.5 45,-0.1 -0.775 30.3-112.4-105.1 154.5 22.7 -15.4 -5.5 56 63 A A T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.503 109.5 56.8 -67.5 -4.2 24.7 -17.7 -7.8 57 64 A D T 3 S- 0 0 154 2,-0.1 -1,-0.3 42,-0.1 3,-0.1 0.244 124.4 -87.4-115.2 15.6 25.8 -20.1 -5.1 58 65 A G S < S+ 0 0 36 -3,-1.7 27,-2.9 1,-0.4 28,-0.4 0.372 83.5 133.7 98.0 -4.8 22.4 -21.1 -3.7 59 66 A A E - C 0 84A 5 25,-0.2 -4,-2.7 26,-0.1 2,-0.4 -0.622 31.6-176.0 -75.4 137.1 21.9 -18.3 -1.1 60 67 A Q E -BC 54 83A 50 23,-2.4 23,-2.4 -2,-0.3 2,-0.5 -1.000 12.9-164.4-138.0 133.6 18.5 -16.8 -1.3 61 68 A Y E -BC 53 82A 0 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.4 -0.974 6.7-174.5-121.0 116.5 17.0 -13.9 0.7 62 69 A D E +BC 52 81A 20 19,-2.4 19,-3.1 -2,-0.5 2,-0.3 -0.866 17.8 154.1-104.1 144.4 13.3 -13.3 0.8 63 70 A F E -B 51 0A 0 -12,-2.1 -12,-3.1 -2,-0.4 2,-0.4 -0.983 42.5-105.8-159.5 162.8 11.9 -10.2 2.5 64 71 A D E +B 50 0A 1 12,-0.4 2,-0.3 -2,-0.3 -14,-0.2 -0.786 43.0 172.0 -90.8 141.1 9.0 -7.8 2.7 65 72 A A E -B 49 0A 0 -16,-2.5 -16,-2.9 -2,-0.4 2,-0.4 -0.996 29.9-158.0-146.3 151.2 9.5 -4.4 1.1 66 73 A Q E -E 74 0B 56 8,-1.8 8,-2.9 -2,-0.3 2,-1.0 -1.000 23.3-141.7-116.1 125.2 7.6 -1.2 0.2 67 74 A V E -E 73 0B 73 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.780 29.9-175.9 -88.0 104.0 9.4 0.9 -2.4 68 75 A M E > -E 72 0B 11 4,-3.5 4,-1.1 -2,-1.0 3,-0.5 -0.096 39.4 -47.8 -85.3-172.1 8.9 4.5 -1.2 69 76 A A T 4 S+ 0 0 27 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 -0.193 124.7 27.8 -57.0 154.3 9.9 7.7 -3.0 70 77 A M T 4 S- 0 0 6 502,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.858 133.1 -70.2 56.6 42.2 13.5 8.0 -4.3 71 78 A R T 4 S+ 0 0 44 -3,-0.5 2,-0.7 1,-0.2 -1,-0.2 0.904 82.9 171.6 44.2 50.0 13.6 4.2 -4.8 72 79 A H E < -E 68 0B 2 -4,-1.1 -4,-3.5 -3,-0.5 2,-0.9 -0.834 26.7-146.2 -97.6 120.2 13.7 3.8 -1.0 73 80 A W E -E 67 0B 10 -2,-0.7 2,-0.7 -46,-0.4 -6,-0.2 -0.721 10.2-164.5 -89.8 101.0 13.4 0.2 0.2 74 81 A R E +E 66 0B 30 -8,-2.9 -8,-1.8 -2,-0.9 -2,-0.0 -0.808 17.5 177.2 -86.3 114.8 11.4 0.1 3.4 75 82 A I - 0 0 0 -2,-0.7 -10,-0.2 -10,-0.2 -48,-0.1 -0.979 30.4-135.2-127.8 123.5 12.1 -3.4 4.9 76 83 A P > - 0 0 28 0, 0.0 3,-1.8 0, 0.0 -12,-0.4 -0.659 21.5-139.6 -72.6 125.8 10.9 -4.8 8.2 77 84 A P G > S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -55,-0.0 0.830 98.4 56.2 -61.2 -33.3 13.9 -6.6 9.7 78 85 A E G 3 S+ 0 0 155 1,-0.2 -58,-0.0 3,-0.0 -59,-0.0 0.599 96.1 67.3 -74.4 -8.8 12.0 -9.6 11.0 79 86 A S G < S+ 0 0 13 -3,-1.8 2,-0.3 -15,-0.1 -1,-0.2 0.594 75.9 104.6 -84.4 -12.5 10.6 -10.3 7.5 80 87 A I < - 0 0 1 -3,-1.2 2,-0.5 -4,-0.3 -17,-0.2 -0.567 48.2-175.8 -80.3 128.6 14.0 -11.3 6.1 81 88 A V E -C 62 0A 66 -19,-3.1 -19,-2.4 -2,-0.3 2,-0.5 -0.977 7.8-161.7-130.2 118.4 14.6 -15.0 5.6 82 89 A K E +CD 61 89A 3 7,-0.5 7,-2.2 -2,-0.5 2,-0.4 -0.858 9.6 178.6-100.2 131.1 17.8 -16.5 4.4 83 90 A T E -CD 60 88A 22 -23,-2.4 -23,-2.4 -2,-0.5 2,-0.7 -0.998 16.3-156.5-124.7 133.9 18.0 -20.0 3.0 84 91 A V E > S-CD 59 87A 62 3,-2.9 3,-1.5 -2,-0.4 -25,-0.2 -0.955 87.2 -22.9-106.3 109.8 21.2 -21.6 1.7 85 92 A A T 3 S- 0 0 84 -27,-2.9 -1,-0.2 -2,-0.7 -26,-0.1 0.916 130.0 -47.4 50.6 51.0 20.1 -24.2 -0.7 86 93 A G T 3 S+ 0 0 65 -28,-0.4 -1,-0.3 1,-0.2 -27,-0.1 0.244 116.5 111.4 83.4 -11.8 16.6 -24.5 0.9 87 94 A V E < S-D 84 0A 95 -3,-1.5 -3,-2.9 1,-0.0 -1,-0.2 -0.840 72.8-117.6-100.4 124.3 17.9 -24.7 4.4 88 95 A P E -D 83 0A 102 0, 0.0 -5,-0.3 0, 0.0 -7,-0.0 -0.332 37.0-175.5 -60.6 137.2 17.2 -21.7 6.7 89 96 A A E -D 82 0A 30 -7,-2.2 -7,-0.5 -2,-0.0 3,-0.1 -0.938 30.0 -94.5-132.3 155.6 20.4 -20.0 7.9 90 97 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -9,-0.1 -0.376 46.6-101.7 -67.2 146.8 21.0 -17.1 10.4 91 98 A L - 0 0 7 -11,-0.1 2,-0.4 -76,-0.1 -72,-0.2 -0.587 44.0-178.5 -68.1 126.8 21.4 -13.6 8.9 92 99 A D > - 0 0 47 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.945 17.6-160.8-135.8 106.9 25.1 -12.8 8.8 93 100 A A H > S+ 0 0 3 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.854 92.8 49.8 -61.8 -38.7 26.0 -9.4 7.5 94 101 A L H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 111.1 49.6 -68.0 -40.8 29.6 -10.2 6.7 95 102 A Q H > S+ 0 0 88 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.890 108.1 55.5 -60.4 -39.5 28.5 -13.4 4.8 96 103 A F H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.921 106.3 48.7 -61.2 -47.1 26.0 -11.2 2.9 97 104 A V H < S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.929 113.3 48.2 -56.8 -46.9 28.7 -8.8 1.7 98 105 A I H >< S+ 0 0 60 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.921 107.6 55.5 -59.8 -44.8 30.8 -11.8 0.6 99 106 A E H 3< S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.3 -43,-0.2 0.769 114.9 38.9 -62.0 -26.6 27.8 -13.4 -1.2 100 107 A I T >X S+ 0 0 2 -4,-1.4 4,-1.3 -3,-0.4 3,-1.1 0.204 79.5 117.5-106.4 16.6 27.3 -10.2 -3.3 101 108 A R H <>>S+ 0 0 128 -3,-1.7 4,-1.3 1,-0.3 5,-0.6 0.789 72.1 56.6 -60.0 -32.3 31.0 -9.4 -3.9 102 109 A D H 345S+ 0 0 155 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.857 109.9 46.4 -61.9 -36.7 30.7 -9.8 -7.7 103 110 A K H <45S+ 0 0 96 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.720 105.8 60.4 -78.2 -24.4 27.9 -7.1 -7.7 104 111 A L H <5S- 0 0 11 -4,-1.3 -2,-0.2 -7,-0.2 -1,-0.2 0.869 88.9-144.7 -74.7 -39.6 29.8 -4.7 -5.4 105 112 A G T <5 + 0 0 57 -4,-1.3 -3,-0.1 1,-0.2 -4,-0.1 0.878 33.6 167.1 72.4 38.7 32.9 -4.2 -7.7 106 113 A L < - 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