==== 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 2X0P . COMPND 2 MOLECULE: ALCALIGIN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR S.SCHMELZ,G.L.CHALLIS,J.H.NAISMITH . 577 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 68.5 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 . 90 15.6 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 . 2 0.3 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 . 2 0.3 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 . 39 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 29.8 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 3 2 4 4 1 1 1 0 0 2 0 0 0 0 1 0 1 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 . 3 4 2 3 4 3 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 . 2 2 1 1 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 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 7 A P 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.7 40.7 -6.3 10.0 2 8 A H > - 0 0 121 1,-0.1 3,-2.0 2,-0.1 4,-0.4 -0.436 360.0-133.7 -63.4 129.0 39.6 -9.6 8.5 3 9 A P T 3 S+ 0 0 104 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.658 102.1 62.7 -61.4 -16.0 40.5 -9.6 4.8 4 10 A A T > S+ 0 0 55 1,-0.2 3,-1.4 2,-0.1 -2,-0.1 0.701 84.8 76.6 -76.3 -20.1 37.1 -11.0 3.9 5 11 A E G X S+ 0 0 131 -3,-2.0 3,-1.6 1,-0.3 4,-0.3 0.792 78.3 70.1 -69.3 -30.5 35.2 -7.9 5.2 6 12 A I G 3 S+ 0 0 48 -4,-0.4 -1,-0.3 -3,-0.3 3,-0.1 0.699 110.7 33.2 -62.6 -19.0 36.1 -5.7 2.3 7 13 A V G X S+ 0 0 54 -3,-1.4 3,-2.2 -4,-0.1 -1,-0.3 0.104 78.2 117.9-123.2 26.3 33.7 -7.7 0.1 8 14 A A T < S+ 0 0 59 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.756 71.5 66.2 -55.5 -25.0 31.0 -8.7 2.7 9 15 A H T 3 S+ 0 0 23 -4,-0.3 2,-1.1 -3,-0.1 -1,-0.3 0.585 80.1 89.6 -76.7 -11.7 28.6 -6.7 0.5 10 16 A L < + 0 0 70 -3,-2.2 -1,-0.1 4,-0.1 -3,-0.1 -0.735 55.6 146.0 -92.7 93.9 29.0 -9.3 -2.2 11 17 A Q > - 0 0 117 -2,-1.1 4,-2.2 1,-0.1 5,-0.2 -0.831 56.8-109.7-124.7 159.8 26.3 -11.9 -1.4 12 18 A P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.897 110.9 44.9 -58.9 -47.8 24.2 -14.1 -3.8 13 19 A E H > S+ 0 0 168 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.923 117.3 43.1 -71.1 -43.3 20.8 -12.5 -3.4 14 20 A I H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.899 112.8 54.3 -66.7 -39.6 21.9 -8.8 -3.6 15 21 A W H X S+ 0 0 69 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.929 108.9 48.5 -58.3 -46.1 24.3 -9.7 -6.5 16 22 A N H X S+ 0 0 87 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.853 110.1 52.9 -61.6 -38.9 21.3 -11.2 -8.4 17 23 A K H X S+ 0 0 72 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.924 112.3 42.2 -63.3 -48.8 19.2 -8.1 -7.7 18 24 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.818 111.5 56.1 -73.4 -29.7 21.8 -5.6 -9.0 19 25 A N H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.900 107.0 49.4 -63.9 -43.6 22.6 -7.8 -12.0 20 26 A R H X S+ 0 0 58 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.886 110.7 51.1 -61.9 -42.9 18.9 -7.8 -13.0 21 27 A L H X S+ 0 0 53 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.915 112.9 45.0 -61.5 -40.7 18.9 -4.0 -12.7 22 28 A L H X S+ 0 0 16 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.857 108.2 55.4 -76.6 -34.2 21.9 -3.6 -14.9 23 29 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.956 108.0 51.5 -58.5 -46.2 20.7 -6.0 -17.5 24 30 A R H X S+ 0 0 49 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.921 112.9 44.2 -53.0 -52.3 17.6 -3.8 -17.8 25 31 A K H X S+ 0 0 15 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.900 113.5 50.2 -60.8 -45.0 19.7 -0.7 -18.2 26 32 A A H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.921 114.0 44.9 -60.3 -45.5 22.0 -2.3 -20.7 27 33 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 5,-0.3 0.979 116.8 45.8 -62.4 -52.2 19.1 -3.6 -22.8 28 34 A S H X S+ 0 0 5 -4,-2.9 4,-2.2 -5,-0.2 46,-0.4 0.918 118.5 40.1 -54.0 -53.2 17.3 -0.2 -22.6 29 35 A E H X S+ 0 0 4 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.823 115.8 47.6 -74.4 -37.9 20.3 2.0 -23.4 30 36 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.3 6,-1.4 0.879 113.8 48.9 -67.8 -41.1 21.9 -0.2 -26.1 31 37 A A H ><5S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.942 108.7 54.5 -58.4 -48.6 18.6 -0.6 -27.8 32 38 A H H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 110.4 45.8 -52.8 -38.4 18.1 3.2 -27.6 33 39 A E T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.250 117.9-111.3 -93.9 11.1 21.5 3.6 -29.4 34 40 A W T < 5S+ 0 0 89 -3,-2.1 -3,-0.2 2,-0.3 -2,-0.1 0.509 89.8 115.2 72.9 6.4 20.7 1.0 -32.1 35 41 A L S S- 0 0 56 4,-0.1 3,-1.7 31,-0.0 -2,-0.3 -0.821 103.7-112.5 -92.0 130.7 2.2 -6.5 -18.0 47 53 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.440 103.0 32.9 -63.2 133.5 -0.8 -5.0 -19.8 48 54 A G T 3 S+ 0 0 69 1,-0.5 2,-0.3 -2,-0.1 -2,-0.0 0.239 104.5 90.2 100.8 -11.3 0.0 -1.9 -21.8 49 55 A F < - 0 0 21 -3,-1.7 -5,-2.5 -5,-0.1 -1,-0.5 -0.738 68.5-137.5-104.0 161.0 3.5 -3.2 -22.6 50 56 A E E -AB 43 66A 81 16,-2.4 16,-2.6 -7,-0.3 2,-0.4 -0.846 22.5-115.3-110.1 158.3 4.5 -5.2 -25.6 51 57 A R E -AB 42 65A 30 -9,-2.8 -10,-3.4 -2,-0.3 -9,-1.1 -0.786 32.0-172.5 -96.6 135.6 6.9 -8.2 -25.4 52 58 A F E -AB 40 64A 15 12,-3.2 12,-2.2 -2,-0.4 2,-0.4 -0.865 8.8-149.2-123.8 159.3 10.2 -8.1 -27.2 53 59 A R E -AB 39 63A 70 -14,-2.2 -14,-2.7 -2,-0.3 2,-0.5 -0.980 5.4-162.2-129.9 138.8 12.9 -10.6 -27.8 54 60 A L E - B 0 62A 5 8,-2.8 8,-2.4 -2,-0.4 2,-0.6 -0.995 9.2-162.2-115.2 123.2 16.7 -10.4 -28.2 55 61 A T E + B 0 61A 88 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.930 29.9 156.6-107.0 113.7 18.3 -13.4 -29.9 56 62 A L + 0 0 16 4,-2.8 2,-4.7 -2,-0.6 3,-0.4 0.279 39.9 14.6-116.1-135.8 22.0 -13.3 -29.1 57 63 A A S S- 0 0 41 43,-0.3 -1,-0.1 1,-0.3 4,-0.1 -0.024 111.6 -74.2 -53.4 51.3 25.3 -15.3 -28.8 58 64 A D S S+ 0 0 165 -2,-4.7 -1,-0.3 1,-0.2 3,-0.1 0.992 128.0 19.1 55.6 71.3 24.0 -18.4 -30.6 59 65 A G S S+ 0 0 30 -3,-0.4 27,-2.2 1,-0.4 28,-0.3 -0.222 92.9 106.9 137.0 -50.6 21.8 -19.6 -27.8 60 66 A A E - C 0 85A 5 25,-0.2 -4,-2.8 26,-0.1 -1,-0.4 -0.431 43.6-178.6 -67.8 132.0 21.1 -16.8 -25.4 61 67 A Q E -BC 55 84A 50 23,-3.0 23,-2.7 -6,-0.2 2,-0.5 -1.000 10.9-168.5-135.0 134.0 17.6 -15.3 -25.6 62 68 A Y E -BC 54 83A 0 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.4 -0.988 3.1-173.7-124.0 118.8 16.2 -12.4 -23.6 63 69 A D E +BC 53 82A 21 19,-2.6 19,-3.4 -2,-0.5 2,-0.3 -0.893 17.9 157.7-105.1 145.4 12.4 -11.7 -23.6 64 70 A F E -B 52 0A 0 -12,-2.2 -12,-3.2 -2,-0.4 2,-0.4 -0.986 40.7-107.5-158.6 156.6 11.2 -8.6 -21.9 65 71 A D E +B 51 0A 0 12,-0.3 2,-0.3 -2,-0.3 -14,-0.2 -0.762 41.3 175.7 -85.6 141.0 8.3 -6.1 -21.7 66 72 A A E -B 50 0A 0 -16,-2.6 -16,-2.4 -2,-0.4 2,-0.4 -0.990 28.5-162.1-141.9 153.7 8.9 -2.7 -23.2 67 73 A Q E -E 75 0B 72 8,-1.5 8,-2.7 -2,-0.3 2,-0.9 -0.988 25.2-141.8-124.3 121.2 7.0 0.5 -23.9 68 74 A V E -E 74 0B 66 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.780 27.2-176.1 -91.1 108.7 9.0 2.6 -26.4 69 75 A M E > -E 73 0B 13 4,-3.4 4,-1.2 -2,-0.9 3,-0.5 -0.111 39.1 -47.9 -92.6-171.1 8.6 6.2 -25.3 70 76 A A T 4 S+ 0 0 32 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 -0.182 122.4 29.8 -62.7 156.5 9.8 9.5 -27.0 71 77 A M T 4 S- 0 0 4 501,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.832 133.0 -69.5 59.0 37.2 13.4 9.7 -28.2 72 78 A R T 4 S+ 0 0 43 -3,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.921 84.3 169.9 51.5 47.9 13.5 5.9 -28.9 73 79 A H E < -E 69 0B 2 -4,-1.2 -4,-3.4 -3,-0.3 2,-0.9 -0.855 27.4-148.5 -99.1 123.7 13.4 5.2 -25.1 74 80 A W E -E 68 0B 12 -2,-0.6 2,-0.7 -46,-0.4 -6,-0.2 -0.773 7.7-162.2 -94.4 103.3 12.8 1.7 -24.0 75 81 A R E -E 67 0B 38 -8,-2.7 -8,-1.5 -2,-0.9 -2,-0.0 -0.791 17.6-179.6 -85.9 117.2 11.0 1.6 -20.7 76 82 A I - 0 0 0 -2,-0.7 -10,-0.2 -10,-0.2 -48,-0.1 -0.968 28.6-136.0-129.7 116.3 11.5 -1.9 -19.4 77 83 A P > - 0 0 27 0, 0.0 3,-1.9 0, 0.0 -12,-0.3 -0.601 21.6-139.9 -66.4 121.2 10.2 -3.3 -16.1 78 84 A P G > S+ 0 0 26 0, 0.0 3,-1.8 0, 0.0 -13,-0.0 0.898 98.4 56.0 -53.9 -45.2 13.2 -5.1 -14.6 79 85 A E G 3 S+ 0 0 149 1,-0.3 -58,-0.0 -3,-0.0 -59,-0.0 0.592 96.3 67.7 -64.9 -10.0 11.2 -8.1 -13.3 80 86 A S G < S+ 0 0 3 -3,-1.9 2,-0.4 -15,-0.1 -1,-0.3 0.569 74.5 106.7 -83.7 -11.2 9.8 -8.7 -16.9 81 87 A I < - 0 0 1 -3,-1.8 2,-0.5 -4,-0.3 -17,-0.2 -0.577 47.8-175.0 -80.7 125.7 13.2 -9.8 -18.3 82 88 A V E -C 63 0A 62 -19,-3.4 -19,-2.6 -2,-0.4 2,-0.4 -0.971 5.3-163.9-126.0 115.1 13.5 -13.5 -18.9 83 89 A K E +C 62 0A 13 7,-0.5 7,-1.9 -2,-0.5 2,-0.3 -0.833 11.1 173.8 -97.1 134.4 16.8 -15.1 -20.1 84 90 A T E -CD 61 89A 25 -23,-2.7 -23,-3.0 -2,-0.4 2,-0.5 -0.976 20.8-151.9-131.7 153.4 17.0 -18.6 -21.6 85 91 A V E > S-CD 60 88A 64 3,-2.6 3,-1.3 -2,-0.3 -25,-0.2 -0.956 84.3 -26.3-125.2 105.7 19.9 -20.4 -23.1 86 92 A A T 3 S- 0 0 83 -27,-2.2 -1,-0.1 -2,-0.5 -26,-0.1 0.928 130.8 -42.9 52.7 52.9 18.8 -22.9 -25.7 87 93 A G T 3 S+ 0 0 67 -28,-0.3 -1,-0.3 1,-0.2 -27,-0.1 0.355 116.4 114.5 78.8 -2.9 15.4 -23.3 -24.0 88 94 A V E < S-D 85 0A 92 -3,-1.3 -3,-2.6 1,-0.0 -1,-0.2 -0.882 70.6-114.7-107.9 127.5 16.8 -23.4 -20.5 89 95 A P E -D 84 0A 108 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.241 38.6-177.9 -52.2 136.6 16.1 -20.7 -17.8 90 96 A A - 0 0 29 -7,-1.9 -7,-0.5 3,-0.0 3,-0.1 -0.995 28.4-104.0-143.8 144.2 19.2 -18.8 -16.8 91 97 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.301 41.9-101.2 -68.9 146.5 19.9 -16.1 -14.2 92 98 A L + 0 0 11 -11,-0.1 2,-0.4 -76,-0.1 -72,-0.2 -0.576 46.0 175.6 -68.0 128.5 20.3 -12.5 -15.3 93 99 A D > - 0 0 59 -2,-0.3 4,-2.1 -74,-0.1 5,-0.1 -0.967 20.8-160.4-142.1 113.6 24.0 -11.8 -15.3 94 100 A A H > S+ 0 0 3 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.907 92.9 50.4 -71.8 -40.9 25.1 -8.4 -16.6 95 101 A L H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 112.1 49.9 -57.9 -43.9 28.8 -9.3 -17.2 96 102 A Q H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.881 107.7 53.8 -64.1 -39.5 27.5 -12.4 -19.2 97 103 A F H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.952 106.3 51.1 -58.1 -53.1 25.2 -10.2 -21.2 98 104 A V H < S+ 0 0 2 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.886 111.0 49.8 -52.8 -41.2 28.0 -7.9 -22.3 99 105 A I H >< S+ 0 0 46 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.914 106.5 55.5 -62.1 -43.9 29.9 -11.0 -23.4 100 106 A E H 3< S+ 0 0 15 -4,-2.3 -43,-0.3 1,-0.3 -1,-0.2 0.722 114.9 39.0 -63.3 -22.2 26.9 -12.3 -25.3 101 107 A I T 3X S+ 0 0 4 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.3 0.164 78.5 118.8-112.6 17.8 26.8 -9.0 -27.3 102 108 A R H <>>S+ 0 0 99 -3,-1.6 4,-1.2 1,-0.2 5,-0.7 0.852 76.9 50.5 -54.6 -39.8 30.6 -8.5 -27.7 103 109 A D H 45S+ 0 0 136 -4,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.916 112.1 47.1 -65.1 -43.1 30.4 -8.7 -31.5 104 110 A K H 45S+ 0 0 96 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.774 106.1 61.0 -66.0 -28.7 27.6 -6.0 -31.5 105 111 A L H <5S- 0 0 9 -4,-2.0 -1,-0.2 -7,-0.2 -2,-0.2 0.793 95.8-143.0 -70.0 -32.6 29.7 -3.9 -29.1 106 112 A G T <5 + 0 0 56 -4,-1.2 -3,-0.1 -3,-0.4 -2,-0.1 0.974 38.1 160.3 66.2 57.7 32.5 -3.5 -31.5 107 113 A L < - 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