==== 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 DE NOVO PROTEIN, IMMUNE SYSTEM 25-JUL-05 2AF5 . COMPND 2 MOLECULE: ENGINEERED OUTER SURFACE PROTEIN A (OSPA) WITH TH . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR K.MAKABE,D.MCELHENY,V.TERESHKO,A.HILYARD,A.KOIDE,S.KOIDE . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 69.5 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 . 149 51.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 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 . 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 . 2 2 1 2 5 7 4 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 28 A N 0 0 166 0, 0.0 16,-1.9 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0-165.8 42.4 -41.3 44.1 2 29 A S - 0 0 60 14,-0.2 2,-0.2 15,-0.1 14,-0.1 -0.130 360.0-179.6-111.8 175.4 41.6 -39.6 40.9 3 30 A V - 0 0 73 10,-0.1 12,-0.8 2,-0.0 2,-0.5 -0.737 36.2-129.5-166.4 115.0 42.4 -38.9 37.2 4 31 A S E -A 14 0A 71 -2,-0.2 2,-0.6 10,-0.2 10,-0.2 -0.595 22.7-169.2 -79.1 120.2 40.2 -36.5 35.6 5 32 A V E -A 13 0A 23 8,-2.8 8,-2.3 -2,-0.5 2,-0.1 -0.941 12.9-144.6-110.7 118.8 38.7 -37.8 32.3 6 33 A D E -A 12 0A 129 -2,-0.6 6,-0.2 6,-0.2 0, 0.0 -0.431 23.9-161.3 -76.0 161.2 36.9 -35.2 30.1 7 34 A L E >> -A 11 0A 14 4,-2.1 4,-1.1 -2,-0.1 3,-1.1 -0.969 27.5 -86.4-147.1 154.7 33.9 -36.5 28.1 8 35 A P T 34 S+ 0 0 17 0, 0.0 82,-0.2 0, 0.0 80,-0.1 -0.380 112.6 46.7 -57.0 136.8 31.6 -35.9 25.2 9 36 A G T 34 S- 0 0 35 80,-0.3 3,-0.1 81,-0.1 81,-0.1 0.427 129.1 -81.6 102.5 2.9 28.8 -33.6 26.5 10 37 A E T <4 S+ 0 0 200 -3,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.862 93.6 136.9 67.5 38.4 31.2 -31.2 28.3 11 38 A M E < -A 7 0A 28 -4,-1.1 -4,-2.1 20,-0.1 2,-0.4 -0.751 43.0-152.4-111.9 157.7 31.4 -33.6 31.3 12 39 A K E -A 6 0A 131 18,-0.4 18,-0.4 -2,-0.3 2,-0.3 -0.966 9.2-167.6-123.3 147.3 34.3 -34.8 33.5 13 40 A V E -A 5 0A 0 -8,-2.3 -8,-2.8 -2,-0.4 2,-0.4 -0.960 12.0-142.1-126.4 149.6 34.4 -38.1 35.3 14 41 A L E -AB 4 28A 56 14,-2.9 14,-1.5 -2,-0.3 2,-0.3 -0.887 16.9-167.0-105.9 147.3 36.9 -39.2 38.0 15 42 A V E - B 0 27A 4 -12,-0.8 12,-0.2 -2,-0.4 2,-0.2 -0.983 29.6-103.6-131.6 144.3 38.2 -42.8 38.1 16 43 A S - 0 0 25 10,-2.5 -14,-0.2 -2,-0.3 4,-0.1 -0.460 22.7-142.8 -61.9 132.3 40.1 -44.6 40.9 17 44 A K S S+ 0 0 132 -16,-1.9 2,-0.3 -2,-0.2 -1,-0.2 0.934 87.7 37.6 -62.3 -42.7 43.8 -45.0 39.9 18 45 A E S S- 0 0 154 -17,-0.2 8,-0.3 1,-0.1 -2,-0.0 -0.765 100.9 -94.1-109.5 152.0 43.9 -48.5 41.5 19 46 A K - 0 0 131 -2,-0.3 6,-0.2 6,-0.1 5,-0.2 -0.108 43.7-122.0 -56.9 151.6 41.2 -51.3 41.5 20 47 A N > - 0 0 36 4,-3.2 3,-1.6 -4,-0.1 -1,-0.1 -0.384 40.5 -81.6 -82.2-175.7 38.8 -51.3 44.8 21 48 A K T 3 S+ 0 0 211 1,-0.3 -2,-0.1 -2,-0.1 -1,-0.0 0.671 129.8 56.0 -68.3 -13.6 38.3 -54.3 47.2 22 49 A D T 3 S- 0 0 143 2,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.074 120.2-105.6-101.7 23.9 35.8 -56.0 44.7 23 50 A G S < S+ 0 0 45 -3,-1.6 -2,-0.1 1,-0.2 -4,-0.0 0.029 87.3 103.3 86.6 -29.5 38.3 -55.9 41.8 24 51 A K S S- 0 0 103 -2,-0.2 -4,-3.2 -5,-0.2 2,-0.4 -0.244 73.5-110.5 -89.5 169.6 36.7 -53.1 39.9 25 52 A Y E - C 0 40A 27 15,-1.7 15,-2.5 -6,-0.2 2,-0.3 -0.839 28.6-137.8 -92.8 135.6 37.5 -49.4 39.4 26 53 A D E - C 0 39A 65 -2,-0.4 -10,-2.5 -8,-0.3 2,-0.4 -0.752 20.0-167.2 -86.3 141.3 35.1 -46.9 41.1 27 54 A L E -BC 15 38A 0 11,-2.6 11,-2.1 -2,-0.3 2,-0.4 -0.998 4.1-171.8-130.8 139.5 34.2 -43.8 39.1 28 55 A I E +BC 14 37A 50 -14,-1.5 -14,-2.9 -2,-0.4 2,-0.3 -0.950 9.2 165.3-127.5 145.7 32.4 -40.6 40.4 29 56 A A E - C 0 36A 7 7,-2.6 7,-4.2 -2,-0.4 2,-0.4 -0.989 25.2-142.5-152.7 156.3 31.0 -37.6 38.5 30 57 A T E + C 0 35A 80 -18,-0.4 -18,-0.4 -2,-0.3 2,-0.3 -0.978 20.7 176.2-118.0 139.2 28.7 -34.7 39.1 31 58 A V E > S- C 0 34A 20 3,-2.6 3,-1.1 -2,-0.4 -20,-0.1 -0.967 70.1 -5.4-144.2 123.2 26.4 -33.5 36.4 32 59 A D T 3 S- 0 0 142 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.988 130.3 -53.7 52.2 61.3 23.8 -30.7 36.9 33 60 A K T 3 S+ 0 0 213 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.525 118.0 111.1 59.3 4.1 24.5 -30.3 40.6 34 61 A L E < -C 31 0A 34 -3,-1.1 -3,-2.6 17,-0.0 2,-0.5 -0.912 63.4-135.5-112.4 135.3 23.9 -34.1 41.1 35 62 A E E -C 30 0A 103 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.774 18.1-164.1 -92.8 127.8 26.6 -36.6 42.0 36 63 A L E -C 29 0A 0 -7,-4.2 -7,-2.6 -2,-0.5 2,-0.4 -0.863 4.2-170.7-109.2 143.0 26.7 -40.0 40.2 37 64 A K E +CD 28 50A 122 13,-2.3 13,-2.1 -2,-0.4 2,-0.3 -0.977 16.7 144.4-131.6 141.7 28.7 -43.1 41.3 38 65 A G E -C 27 0A 17 -11,-2.1 -11,-2.6 -2,-0.4 2,-0.3 -0.934 33.9-126.6-157.8-178.5 29.4 -46.3 39.5 39 66 A T E -C 26 0A 62 9,-0.3 9,-0.4 -2,-0.3 2,-0.4 -0.986 22.5-163.0-137.4 152.9 32.1 -49.0 39.0 40 67 A S E -C 25 0A 2 -15,-2.5 -15,-1.7 -2,-0.3 7,-0.1 -0.987 34.0-139.1-144.7 132.2 33.7 -50.5 35.8 41 68 A D S S+ 0 0 118 -2,-0.4 -1,-0.1 -17,-0.2 2,-0.1 0.903 92.2 76.4 -30.3 -49.4 35.7 -53.4 34.5 42 69 A K - 0 0 72 1,-0.1 3,-0.4 -3,-0.1 -17,-0.1 -0.405 66.3-154.1 -89.5 147.3 37.6 -50.7 32.4 43 70 A N S S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 -28,-0.1 0.487 80.1 77.9 -94.0 -2.3 40.3 -48.2 33.6 44 71 A N S S- 0 0 51 21,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.555 112.7 -93.9 -89.6 -9.0 39.8 -45.4 31.0 45 72 A G S S+ 0 0 0 -3,-0.4 2,-0.1 1,-0.3 -2,-0.1 0.500 83.7 127.3 107.0 6.0 36.7 -43.7 32.5 46 73 A S + 0 0 0 19,-0.2 -1,-0.3 16,-0.0 2,-0.2 -0.423 34.4 76.4 -82.4 169.2 34.0 -45.6 30.5 47 74 A G E S- E 0 63A 13 16,-2.3 16,-3.0 -2,-0.1 2,-0.4 -0.770 79.9 -56.7 125.6-168.3 31.1 -47.4 32.2 48 75 A V E - E 0 62A 58 -9,-0.4 2,-0.4 -2,-0.2 -9,-0.3 -0.897 37.2-167.0-115.3 138.2 27.8 -46.4 33.8 49 76 A L E - E 0 61A 0 12,-2.6 12,-2.9 -2,-0.4 2,-0.3 -0.958 9.6-168.2-119.8 148.0 27.2 -44.0 36.7 50 77 A E E +DE 37 60A 109 -13,-2.1 -13,-2.3 -2,-0.4 2,-0.3 -0.886 12.9 158.4-132.8 161.3 23.9 -43.6 38.7 51 78 A G E - E 0 59A 15 8,-1.3 8,-2.2 -2,-0.3 2,-0.4 -0.968 28.4-124.0-171.2 169.1 22.4 -41.3 41.2 52 79 A V E - E 0 58A 77 -2,-0.3 6,-0.2 -17,-0.3 -17,-0.2 -0.988 16.6-139.0-133.9 137.4 19.0 -40.3 42.5 53 80 A K > - 0 0 88 4,-2.5 3,-1.5 -2,-0.4 -19,-0.0 -0.379 31.4-107.9 -85.5 169.2 17.4 -36.8 42.7 54 81 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.817 121.0 63.1 -70.0 -26.3 15.3 -35.5 45.7 55 82 A D T 3 S- 0 0 106 1,-0.1 -1,-0.3 2,-0.1 22,-0.1 0.407 124.4-106.9 -73.9 8.2 12.2 -35.9 43.5 56 83 A K S < S+ 0 0 125 -3,-1.5 -2,-0.1 1,-0.3 2,-0.1 0.484 71.9 148.4 80.8 7.5 13.0 -39.7 43.6 57 84 A S - 0 0 18 -5,-0.1 -4,-2.5 1,-0.1 2,-0.5 -0.400 42.2-134.8 -77.9 151.8 14.2 -39.6 39.9 58 85 A K E -EF 52 75A 89 17,-1.8 17,-3.3 18,-0.6 2,-0.4 -0.884 17.1-164.4-115.0 131.1 16.9 -41.9 38.7 59 86 A V E -EF 51 74A 10 -8,-2.2 -8,-1.3 -2,-0.5 2,-0.4 -0.923 3.7-171.0-120.2 137.5 19.7 -40.6 36.5 60 87 A K E -EF 50 73A 69 13,-2.4 13,-2.6 -2,-0.4 2,-0.6 -0.983 8.0-165.5-137.8 123.5 22.1 -42.8 34.6 61 88 A L E -EF 49 72A 0 -12,-2.9 -12,-2.6 -2,-0.4 2,-0.6 -0.932 9.6-169.0-108.8 117.6 25.2 -41.7 32.7 62 89 A T E -EF 48 71A 43 9,-2.9 9,-2.1 -2,-0.6 2,-0.5 -0.940 1.5-166.6-111.2 123.2 26.5 -44.3 30.3 63 90 A I E -EF 47 70A 3 -16,-3.0 -16,-2.3 -2,-0.6 7,-0.2 -0.938 23.3-122.9-109.7 121.5 29.9 -43.7 28.8 64 91 A S > - 0 0 30 5,-2.0 3,-2.1 -2,-0.5 5,-0.1 -0.182 24.1-109.8 -64.4 155.5 30.9 -45.9 25.8 65 92 A D T 3 S+ 0 0 109 1,-0.3 -19,-0.2 2,-0.1 -1,-0.1 0.789 119.9 46.4 -59.0 -31.0 34.1 -48.1 25.9 66 93 A D T 3 S- 0 0 112 3,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.297 108.3-123.6 -92.8 10.2 35.9 -45.9 23.3 67 94 A L S < S+ 0 0 47 -3,-2.1 -2,-0.1 2,-0.1 3,-0.1 0.680 79.1 121.1 57.8 19.0 34.8 -42.6 25.1 68 95 A G S S+ 0 0 5 1,-0.1 22,-1.8 -61,-0.1 2,-0.3 0.542 71.6 27.3 -89.0 -4.7 33.2 -41.4 21.8 69 96 A Q E - G 0 89A 88 20,-0.2 -5,-2.0 -5,-0.1 2,-0.3 -0.997 57.3-160.6-158.0 144.7 29.7 -41.1 23.3 70 97 A T E -FG 63 88A 1 18,-1.8 18,-1.9 -2,-0.3 2,-0.4 -0.947 7.4-160.3-124.4 150.0 27.8 -40.4 26.5 71 98 A T E -FG 62 87A 22 -9,-2.1 -9,-2.9 -2,-0.3 2,-0.6 -0.971 3.6-170.2-130.0 121.0 24.2 -41.1 27.3 72 99 A L E -FG 61 86A 29 14,-2.0 14,-1.9 -2,-0.4 2,-0.4 -0.930 10.5-177.7-112.7 110.9 22.4 -39.3 30.1 73 100 A E E -FG 60 85A 29 -13,-2.6 -13,-2.4 -2,-0.6 2,-0.5 -0.861 13.4-162.0-107.0 138.5 19.0 -40.8 30.9 74 101 A V E -FG 59 84A 13 10,-2.1 9,-3.2 -2,-0.4 10,-1.5 -0.995 18.5-174.5-113.9 127.3 16.6 -39.5 33.5 75 102 A F E -FG 58 82A 25 -17,-3.3 -17,-1.8 -2,-0.5 7,-0.2 -0.827 26.8-106.8-115.5 159.0 13.9 -42.0 34.6 76 103 A K > - 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