==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 06-SEP-08 3EEX . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR K.MAKABE,M.BIANCALANA,S.KOIDE . 632 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 71.8 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 . 323 51.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 30 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 . 1 0.2 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 . 65 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.5 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+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 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 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 . 3 5 1 3 15 19 6 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 . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 27 A K 0 0 221 0, 0.0 2,-0.3 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 -36.4 6.4 21.9 65.0 2 28 A N + 0 0 93 15,-0.1 15,-0.1 26,-0.0 2,-0.1 -0.971 360.0 167.9-137.3 147.9 8.0 18.5 63.9 3 29 A S + 0 0 57 -2,-0.3 15,-1.4 13,-0.3 12,-0.0 -0.459 48.1 14.3-166.8 80.4 10.4 15.9 65.3 4 30 A V - 0 0 101 13,-0.1 12,-2.9 -2,-0.1 2,-0.2 0.473 51.9-135.4 118.4 116.7 11.3 12.3 64.1 5 31 A S E -A 15 0A 67 10,-0.2 2,-0.3 8,-0.0 10,-0.2 -0.611 15.8-169.6 -95.5 144.1 10.9 10.1 61.0 6 32 A V E -A 14 0A 29 8,-2.3 8,-2.5 -2,-0.2 2,-0.3 -0.981 18.1-129.3-135.1 144.4 9.8 6.5 60.7 7 33 A D E -A 13 0A 122 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.752 27.0-164.8-102.4 140.1 9.8 4.1 57.8 8 34 A L E > -A 12 0A 9 4,-2.7 4,-2.1 -2,-0.3 61,-0.1 -0.944 29.6 -84.5-133.3 142.8 6.7 2.1 56.8 9 35 A P T 4 S+ 0 0 17 0, 0.0 80,-0.2 0, 0.0 82,-0.1 -0.038 112.8 36.1 -30.9 130.6 5.5 -0.9 54.7 10 36 A G T 4 S- 0 0 23 80,-0.2 81,-0.0 1,-0.1 79,-0.0 0.876 131.3 -73.8 79.4 39.1 4.9 0.2 51.0 11 37 A S T 4 S+ 0 0 118 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.796 90.5 140.9 43.4 50.8 7.8 2.6 50.9 12 38 A M E < -A 8 0A 37 -4,-2.1 -4,-2.7 20,-0.0 2,-0.4 -0.770 39.2-145.3-117.3 164.4 6.2 5.4 53.0 13 39 A K E -A 7 0A 130 -2,-0.3 18,-0.5 -6,-0.2 2,-0.4 -0.995 7.7-164.2-132.5 130.5 7.5 7.8 55.7 14 40 A V E -A 6 0A 0 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.7 -0.924 12.6-147.1-113.2 139.2 5.8 9.2 58.8 15 41 A L E -AB 5 29A 68 14,-3.5 14,-2.3 -2,-0.4 2,-0.4 -0.923 20.1-168.9-101.0 111.1 6.8 12.2 60.9 16 42 A V E - B 0 28A 5 -12,-2.9 2,-0.7 -2,-0.7 -13,-0.3 -0.863 23.7-121.6 -99.8 136.7 5.9 11.5 64.5 17 43 A S - 0 0 14 10,-2.1 2,-0.2 -2,-0.4 10,-0.2 -0.737 21.9-131.0 -82.3 111.6 6.1 14.3 67.0 18 44 A K S S+ 0 0 159 -15,-1.4 -14,-0.0 -2,-0.7 9,-0.0 -0.470 82.1 18.1 -57.6 126.8 8.5 13.5 69.9 19 45 A S S S- 0 0 70 -2,-0.2 8,-0.3 25,-0.1 -16,-0.1 0.467 107.4 -58.8 68.8 146.2 6.5 14.4 73.0 20 46 A S - 0 0 57 6,-0.1 6,-0.2 4,-0.1 5,-0.1 0.272 40.9-131.0 -54.4 165.7 2.7 14.9 73.2 21 47 A N - 0 0 52 4,-3.7 3,-0.3 -4,-0.0 5,-0.1 0.448 64.9 -52.6 -83.8-132.0 0.4 17.3 71.4 22 48 A A S S+ 0 0 100 1,-0.2 4,-0.1 2,-0.0 -2,-0.0 0.170 137.7 31.0 -96.7 18.0 -2.2 19.4 73.2 23 49 A D S S- 0 0 132 2,-0.4 2,-0.9 0, 0.0 -1,-0.2 0.055 118.2 -86.6-167.0 37.5 -3.7 16.3 74.9 24 50 A G S S+ 0 0 44 -3,-0.3 -4,-0.1 1,-0.2 -5,-0.1 0.015 98.6 110.5 79.5 -35.4 -1.1 13.6 75.6 25 51 A K S S- 0 0 80 -2,-0.9 -4,-3.7 -5,-0.1 -2,-0.4 -0.146 70.9-115.1 -60.2 165.5 -1.8 12.2 72.1 26 52 A Y E - C 0 41A 49 15,-2.9 15,-2.0 17,-0.3 2,-0.3 -0.902 18.9-123.6-116.7 138.9 1.0 12.5 69.5 27 53 A D E - C 0 40A 76 -2,-0.4 -10,-2.1 -8,-0.3 2,-0.4 -0.601 27.8-160.6 -82.3 134.9 0.9 14.5 66.2 28 54 A L E -BC 16 39A 2 11,-3.3 11,-1.7 -2,-0.3 2,-0.4 -0.923 11.3-175.4-123.1 141.9 1.5 12.7 62.9 29 55 A I E +BC 15 38A 36 -14,-2.3 -14,-3.5 -2,-0.4 2,-0.3 -0.999 12.3 154.9-132.4 136.1 2.5 13.8 59.4 30 56 A A E - C 0 37A 5 7,-1.3 7,-3.1 -2,-0.4 2,-0.6 -0.958 33.2-132.4-148.8 151.0 2.8 11.9 56.2 31 57 A T E - C 0 36A 77 -18,-0.5 2,-0.6 -2,-0.3 5,-0.2 -0.921 15.7-168.7-109.4 107.6 2.6 12.9 52.5 32 58 A V E > - C 0 35A 8 3,-1.2 3,-2.8 -2,-0.6 2,-0.3 -0.885 67.1 -52.7 -94.0 124.7 0.4 10.7 50.3 33 59 A D T 3 S- 0 0 26 -2,-0.6 493,-0.8 1,-0.3 592,-0.2 -0.323 124.9 -17.0 34.5 -99.1 1.1 11.8 46.8 34 60 A A T 3 S+ 0 0 27 -2,-0.3 2,-0.4 491,-0.1 -1,-0.3 0.321 118.5 93.5-106.3 6.2 0.5 15.6 46.8 35 61 A L E < -C 32 0A 30 -3,-2.8 -3,-1.2 17,-0.0 2,-0.6 -0.792 67.3-134.8-108.1 143.0 -1.4 15.8 50.1 36 62 A E E -C 31 0A 123 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.830 25.4-159.6 -84.8 122.2 -0.3 16.5 53.7 37 63 A L E -C 30 0A 0 -7,-3.1 -7,-1.3 -2,-0.6 2,-0.4 -0.856 6.7-164.4-100.6 142.4 -2.0 14.0 55.9 38 64 A S E +CD 29 51A 72 13,-2.3 13,-1.8 -2,-0.4 2,-0.3 -0.980 14.8 154.8-129.8 145.3 -2.4 14.8 59.6 39 65 A G E -CD 28 50A 9 -11,-1.7 -11,-3.3 -2,-0.4 2,-0.4 -0.955 31.4-132.3-152.7 175.3 -3.2 12.6 62.6 40 66 A T E -C 27 0A 67 9,-0.5 9,-0.5 -2,-0.3 2,-0.3 -0.999 24.2-175.9-134.7 132.1 -3.0 11.9 66.3 41 67 A S E -C 26 0A 9 -15,-2.0 -15,-2.9 -2,-0.4 7,-0.1 -0.866 33.4-136.8-121.7 158.1 -2.1 8.6 68.0 42 68 A D S S+ 0 0 118 -2,-0.3 -1,-0.1 -17,-0.2 2,-0.1 0.898 95.7 63.9 -65.0 -49.8 -1.9 7.2 71.6 43 69 A K S S- 0 0 91 1,-0.1 -17,-0.3 4,-0.1 -2,-0.2 -0.373 71.2-153.0 -80.3 157.0 1.4 5.6 70.6 44 70 A N S S+ 0 0 93 1,-0.1 -1,-0.1 -2,-0.1 -28,-0.1 0.040 74.3 90.9-117.2 18.3 4.5 7.6 69.7 45 71 A N S S- 0 0 41 21,-0.1 -1,-0.1 2,-0.1 -29,-0.1 0.509 113.4 -82.3 -96.5 -11.9 6.1 5.0 67.4 46 72 A G S S+ 0 0 0 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.518 88.8 127.9 117.9 10.7 4.5 6.0 64.1 47 73 A S + 0 0 0 19,-0.1 -1,-0.3 16,-0.0 2,-0.3 -0.645 31.8 62.9-100.3 156.1 1.2 4.3 64.4 48 74 A G E S- E 0 64A 13 16,-1.9 16,-2.2 -2,-0.2 2,-0.4 -0.852 77.4 -46.8 133.4-168.2 -2.3 5.7 64.0 49 75 A V E - E 0 63A 50 -9,-0.5 -9,-0.5 -2,-0.3 2,-0.4 -0.871 38.2-172.6-108.6 135.8 -4.7 7.3 61.6 50 76 A L E +DE 39 62A 0 12,-1.9 12,-3.4 -2,-0.4 2,-0.2 -0.996 10.1 177.4-125.9 125.3 -4.0 10.1 59.3 51 77 A E E +DE 38 61A 111 -13,-1.8 -13,-2.3 -2,-0.4 2,-0.3 -0.753 5.6 160.6-115.3 171.5 -6.7 11.9 57.2 52 78 A G E - E 0 60A 17 8,-1.4 8,-2.5 -2,-0.2 2,-0.5 -0.938 31.7-116.8-175.3 164.2 -6.9 14.8 54.8 53 79 A V E - E 0 59A 89 -2,-0.3 6,-0.2 6,-0.2 -17,-0.1 -0.968 22.5-136.0-116.9 126.3 -9.0 16.3 52.0 54 80 A K > - 0 0 26 4,-3.3 3,-1.6 -2,-0.5 6,-0.0 -0.158 36.9 -99.7 -60.7 169.0 -7.8 16.8 48.4 55 81 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 127.8 54.0 -66.1 -23.3 -8.6 20.1 46.7 56 82 A D T 3 S- 0 0 64 2,-0.1 22,-0.3 22,-0.0 -1,-0.3 0.144 124.0-106.3 -96.0 19.4 -11.5 18.4 45.0 57 83 A A S < S+ 0 0 38 -3,-1.6 22,-0.3 1,-0.3 23,-0.2 0.494 70.3 148.2 70.9 9.8 -12.8 17.3 48.4 58 84 A S - 0 0 12 20,-0.1 -4,-3.3 21,-0.1 2,-0.4 -0.529 43.6-128.9 -72.4 142.1 -11.8 13.7 48.0 59 85 A K E -E 53 0A 72 18,-0.4 17,-2.8 17,-0.3 2,-0.4 -0.773 18.3-160.9-108.1 140.0 -10.9 12.2 51.3 60 86 A V E -EF 52 75A 2 -8,-2.5 -8,-1.4 -2,-0.4 2,-0.4 -0.950 5.7-174.0-123.1 134.7 -7.7 10.2 52.1 61 87 A K E -EF 51 74A 81 13,-2.4 13,-1.6 -2,-0.4 2,-0.6 -0.969 5.1-168.6-136.2 114.4 -7.2 7.9 55.1 62 88 A L E -EF 50 73A 0 -12,-3.4 -12,-1.9 -2,-0.4 2,-0.6 -0.925 7.2-170.0-104.8 112.7 -3.9 6.3 56.1 63 89 A T E -EF 49 72A 46 9,-2.3 9,-1.4 -2,-0.6 2,-0.5 -0.893 2.5-174.4-104.8 117.8 -4.2 3.5 58.7 64 90 A I E -EF 48 71A 4 -16,-2.2 -16,-1.9 -2,-0.6 7,-0.2 -0.963 26.5-121.9-116.0 117.2 -0.9 2.2 60.2 65 91 A S > - 0 0 35 5,-2.3 3,-2.4 -2,-0.5 5,-0.2 -0.156 27.0-106.5 -60.3 151.7 -1.2 -0.8 62.6 66 92 A D T 3 S+ 0 0 110 1,-0.3 -19,-0.1 2,-0.1 -1,-0.1 0.652 120.0 43.6 -58.0 -23.9 0.1 -0.5 66.2 67 93 A D T 3 S- 0 0 127 -21,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.439 113.3-113.8 -99.3 -1.2 3.2 -2.7 65.5 68 94 A L S < S+ 0 0 47 -3,-2.4 -2,-0.1 2,-0.2 3,-0.1 0.789 84.5 118.4 68.9 33.3 4.0 -1.0 62.1 69 95 A G + 0 0 15 1,-0.2 22,-0.5 -61,-0.1 2,-0.3 0.425 68.1 35.1-107.9 -0.7 3.2 -4.3 60.3 70 96 A Q - 0 0 91 20,-0.2 -5,-2.3 -5,-0.2 2,-0.3 -0.975 58.2-168.9-150.7 133.6 0.3 -3.2 58.1 71 97 A T E -FG 64 89A 5 18,-2.1 18,-1.0 -2,-0.3 2,-0.4 -0.924 5.7-163.6-116.0 155.9 -0.5 -0.0 56.2 72 98 A T E -FG 63 88A 15 -9,-1.4 -9,-2.3 -2,-0.3 2,-0.5 -0.984 2.7-168.5-139.3 122.7 -3.9 0.7 54.6 73 99 A L E +FG 62 87A 35 14,-3.1 14,-2.7 -2,-0.4 2,-0.4 -0.971 12.4 172.3-116.7 126.7 -4.3 3.4 52.0 74 100 A E E -FG 61 86A 32 -13,-1.6 -13,-2.4 -2,-0.5 2,-0.4 -0.995 17.0-168.2-139.3 140.0 -7.7 4.5 50.9 75 101 A V E -FG 60 85A 14 10,-1.9 9,-3.2 -2,-0.4 10,-1.2 -0.980 12.9-176.2-124.9 133.7 -9.1 7.3 48.8 76 102 A F E - G 0 83A 29 -17,-2.8 -17,-0.3 -2,-0.4 7,-0.2 -0.678 28.5-108.3-117.7 173.2 -12.9 8.1 48.7 77 103 A K > - 0 0 91 5,-1.6 3,-2.3 -2,-0.2 -18,-0.4 -0.492 60.8 -69.4 -87.1 174.3 -14.9 10.6 46.7 78 104 A S T 3 S+ 0 0 64 -22,-0.3 4,-0.2 1,-0.3 3,-0.1 -0.498 131.7 57.4 -59.9 140.8 -16.3 13.7 48.5 79 105 A D T 3 S- 0 0 91 -22,-0.3 -1,-0.3 1,-0.1 -21,-0.1 0.015 105.2-129.2 106.6 -23.7 -19.0 12.0 50.6 80 106 A G S < S+ 0 0 32 -3,-2.3 -2,-0.1 -23,-0.2 -1,-0.1 0.737 87.8 82.5 50.8 36.2 -16.1 9.9 52.1 81 107 A S + 0 0 75 -4,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.604 67.8 71.6-132.1 -42.4 -17.9 6.6 51.4 82 108 A T S S- 0 0 38 -4,-0.2 -5,-1.6 -5,-0.1 -1,-0.2 -0.776 81.1-129.3 -92.5 118.4 -17.4 5.5 47.9 83 109 A L E -G 76 0A 41 -2,-0.6 -7,-0.3 21,-0.2 21,-0.1 -0.397 28.9-179.5 -78.5 144.2 -13.9 4.3 47.3 84 110 A V E S- 0 0 42 -9,-3.2 16,-2.1 1,-0.4 2,-0.3 0.774 75.6 -7.8 -94.2 -48.4 -11.5 5.4 44.5 85 111 A S E -GH 75 99A 22 -10,-1.2 -10,-1.9 14,-0.2 -1,-0.4 -0.996 53.2-164.4-156.8 148.2 -8.6 3.2 45.6 86 112 A K E -GH 74 98A 51 12,-2.0 12,-0.9 -2,-0.3 2,-0.5 -0.894 7.1-178.3-145.0 111.3 -7.4 0.9 48.4 87 113 A K E -GH 73 97A 74 -14,-2.7 -14,-3.1 -2,-0.3 2,-0.5 -0.920 1.4-176.2-110.7 125.3 -3.8 -0.4 49.0 88 114 A V E +GH 72 96A 27 8,-2.5 8,-2.0 -2,-0.5 2,-0.3 -0.932 10.4 175.9-121.9 113.2 -2.9 -2.8 51.8 89 115 A T E +GH 71 95A 1 -18,-1.0 -18,-2.1 -2,-0.5 6,-0.2 -0.803 3.1 164.6-110.5 151.8 0.8 -3.6 52.3 90 116 A S - 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