==== 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 14-MAR-08 3CKA . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR K.MAKABE,M.BIANCALANA,V.TERECHKO,S.KOIDE . 631 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 70.0 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 . 339 53.7 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 4.8 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 . 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 . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 0 1 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 . 2 1 4 5 13 18 8 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 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 28 A N 0 0 185 0, 0.0 16,-2.2 0, 0.0 17,-0.4 0.000 360.0 360.0 360.0 -6.1 10.0 -50.6 42.6 2 29 A S E -A 16 0A 53 14,-0.2 2,-0.4 15,-0.1 14,-0.3 -0.836 360.0-123.2-132.0 170.4 10.5 -47.3 40.7 3 30 A V E -A 15 0A 79 12,-2.5 12,-2.8 -2,-0.3 2,-0.4 -0.956 24.8-129.9-116.1 144.1 8.6 -44.1 40.0 4 31 A S E -A 14 0A 73 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.764 21.3-171.7 -95.7 134.3 7.9 -42.7 36.4 5 32 A V E -A 13 0A 23 8,-3.0 8,-2.1 -2,-0.4 2,-0.3 -0.974 17.6-133.6-127.7 134.8 8.6 -39.2 35.4 6 33 A D E -A 12 0A 126 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.678 27.1-169.7 -89.2 144.4 7.6 -37.4 32.1 7 34 A L E > -A 11 0A 14 4,-2.6 4,-0.9 -2,-0.3 3,-0.4 -0.773 30.3 -81.4-129.9 160.7 10.3 -35.4 30.3 8 35 A P T 4 S+ 0 0 10 0, 0.0 3,-0.4 0, 0.0 82,-0.1 -0.238 110.3 41.0 -53.2 155.4 10.6 -33.0 27.4 9 36 A G T 4 S- 0 0 29 80,-0.3 81,-0.1 1,-0.2 60,-0.0 0.799 131.2 -73.4 68.1 30.9 10.7 -34.5 24.0 10 37 A S T 4 S+ 0 0 119 -3,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.839 95.9 138.0 53.6 41.5 8.0 -37.1 24.8 11 38 A M E < -A 7 0A 31 -4,-0.9 -4,-2.6 -3,-0.4 2,-0.3 -0.656 37.1-157.2-112.8 168.5 10.3 -39.1 27.0 12 39 A K E -A 6 0A 113 18,-0.3 18,-0.5 -6,-0.2 2,-0.3 -0.991 1.6-163.0-144.7 146.7 10.0 -40.9 30.3 13 40 A V E -AB 5 29A 0 -8,-2.1 -8,-3.0 -2,-0.3 2,-0.5 -0.949 12.1-143.2-130.8 144.1 12.4 -42.1 33.0 14 41 A L E -AB 4 28A 71 14,-2.9 14,-1.9 -2,-0.3 2,-0.4 -0.931 15.8-159.7-107.0 128.1 12.0 -44.5 35.8 15 42 A V E -AB 3 27A 1 -12,-2.8 -12,-2.5 -2,-0.5 12,-0.2 -0.930 18.1-121.6-112.5 128.2 13.7 -43.7 39.1 16 43 A S E -A 2 0A 13 10,-2.6 -14,-0.2 -2,-0.4 4,-0.1 -0.281 3.7-144.1 -64.7 146.6 14.4 -46.4 41.8 17 44 A K E S+ 0 0 168 -16,-2.2 2,-0.2 8,-0.1 -1,-0.1 0.741 85.2 55.1 -75.9 -30.1 13.0 -46.1 45.3 18 45 A S E S- 0 0 82 -17,-0.4 8,-0.6 8,-0.0 2,-0.2 -0.688 86.6-112.9-104.9 162.6 16.2 -47.7 46.8 19 46 A S E - B 0 25A 78 -2,-0.2 6,-0.2 6,-0.1 2,-0.1 -0.565 24.8-129.0 -95.5 154.8 19.8 -46.8 46.4 20 47 A N > - 0 0 32 4,-2.7 3,-2.2 -2,-0.2 -1,-0.1 -0.245 41.5 -82.3 -88.5-175.6 22.5 -48.7 44.7 21 48 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.752 129.6 55.1 -65.0 -23.4 25.9 -49.8 46.0 22 49 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.266 120.5-107.9 -91.9 8.4 27.4 -46.4 45.1 23 50 A G S < S+ 0 0 53 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.750 81.4 113.0 77.6 25.9 24.7 -44.6 47.2 24 51 A K - 0 0 73 -6,-0.0 -4,-2.7 19,-0.0 2,-0.3 -0.792 68.7-100.5-122.9 166.9 22.8 -43.3 44.2 25 52 A Y E -BC 19 40A 68 15,-2.9 15,-2.1 -2,-0.3 2,-0.4 -0.620 34.4-125.4 -80.3 144.9 19.4 -43.8 42.5 26 53 A D E - C 0 39A 68 -8,-0.6 -10,-2.6 -2,-0.3 2,-0.4 -0.759 22.6-161.9 -91.8 138.9 19.1 -45.9 39.4 27 54 A L E -BC 15 38A 1 11,-2.9 11,-2.1 -2,-0.4 2,-0.4 -0.949 8.2-178.1-121.6 137.8 17.5 -44.5 36.3 28 55 A I E +BC 14 37A 64 -14,-1.9 -14,-2.9 -2,-0.4 2,-0.3 -0.997 7.0 165.5-134.8 138.0 16.1 -46.4 33.3 29 56 A A E -BC 13 36A 3 7,-2.2 7,-3.7 -2,-0.4 2,-0.5 -0.988 26.0-141.0-146.3 150.8 14.6 -45.0 30.1 30 57 A T E - C 0 35A 82 -18,-0.5 2,-0.5 -2,-0.3 -18,-0.3 -0.970 19.2-179.6-114.2 126.0 13.8 -46.5 26.8 31 58 A V E > S- C 0 34A 13 3,-2.4 3,-2.2 -2,-0.5 -20,-0.0 -0.992 74.5 -22.7-126.1 116.1 14.4 -44.3 23.7 32 59 A D T 3 S- 0 0 52 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.902 126.0 -52.1 49.2 49.8 13.6 -45.8 20.4 33 60 A A T 3 S+ 0 0 48 1,-0.2 2,-0.6 493,-0.0 -1,-0.3 0.561 113.4 115.9 65.1 5.2 13.8 -49.4 21.7 34 61 A L E < -C 31 0A 34 -3,-2.2 -3,-2.4 17,-0.0 2,-0.5 -0.952 63.2-137.5 -98.5 124.9 17.2 -48.9 23.2 35 62 A E E -C 30 0A 122 -2,-0.6 2,-0.3 -5,-0.2 17,-0.3 -0.731 21.0-164.0 -78.6 126.0 17.1 -49.2 27.0 36 63 A L E -C 29 0A 0 -7,-3.7 -7,-2.2 -2,-0.5 2,-0.3 -0.821 5.6-170.8-106.1 146.3 19.3 -46.5 28.6 37 64 A S E +CD 28 50A 69 13,-2.5 13,-2.8 -2,-0.3 2,-0.3 -0.982 14.2 146.9-139.7 153.9 20.5 -46.7 32.2 38 65 A G E -CD 27 49A 17 -11,-2.1 -11,-2.9 -2,-0.3 2,-0.3 -0.916 31.9-119.8-163.0-176.6 22.2 -44.3 34.5 39 66 A T E -CD 26 48A 57 9,-0.5 9,-0.6 -2,-0.3 2,-0.3 -0.959 22.1-175.7-140.4 156.4 22.5 -43.2 38.1 40 67 A S E -C 25 0A 15 -15,-2.1 -15,-2.9 -2,-0.3 7,-0.1 -0.996 36.4-134.9-151.1 151.4 21.9 -39.9 40.0 41 68 A D S S+ 0 0 122 -2,-0.3 2,-0.2 -17,-0.2 -1,-0.1 0.660 95.9 66.6 -73.9 -24.4 22.2 -38.3 43.4 42 69 A K - 0 0 92 4,-0.2 -17,-0.2 -17,-0.1 3,-0.2 -0.677 68.3-152.9 -95.8 158.3 18.7 -36.9 42.8 43 70 A N S S+ 0 0 89 -2,-0.2 -28,-0.1 1,-0.1 -40,-0.1 0.154 73.0 92.1-116.9 24.7 15.4 -38.8 42.5 44 71 A N S S- 0 0 50 2,-0.1 -1,-0.1 21,-0.1 3,-0.1 0.510 107.7 -94.2 -94.3 -3.6 13.5 -36.5 40.4 45 72 A G S S+ 0 0 0 1,-0.4 2,-0.1 -3,-0.2 18,-0.1 0.301 83.7 130.0 109.7 -5.2 14.4 -38.0 37.1 46 73 A S + 0 0 0 19,-0.2 -1,-0.4 16,-0.1 2,-0.3 -0.444 35.3 67.8 -80.2 150.8 17.3 -35.7 36.3 47 74 A G E S- E 0 63A 13 16,-2.1 16,-3.3 -2,-0.1 2,-0.4 -0.857 79.0 -53.1 139.9-166.8 20.7 -37.1 35.3 48 75 A V E -DE 39 62A 55 -9,-0.6 -9,-0.5 -2,-0.3 2,-0.4 -0.921 40.6-176.6-113.1 133.1 22.6 -38.9 32.6 49 76 A L E -DE 38 61A 0 12,-2.8 12,-2.6 -2,-0.4 2,-0.3 -0.958 5.9-167.7-124.7 148.7 21.5 -42.3 31.0 50 77 A E E -DE 37 60A 100 -13,-2.8 -13,-2.5 -2,-0.4 2,-0.3 -0.973 8.6-179.6-137.6 150.1 23.5 -44.3 28.4 51 78 A G E - E 0 59A 6 8,-2.2 8,-2.3 -2,-0.3 2,-0.4 -0.939 18.1-137.6-140.1 162.8 22.9 -47.2 26.1 52 79 A V E - E 0 58A 81 -17,-0.3 6,-0.2 -2,-0.3 -17,-0.1 -0.992 15.5-141.7-128.6 126.8 24.9 -49.1 23.6 53 80 A K > - 0 0 57 4,-2.7 3,-2.4 -2,-0.4 -19,-0.0 -0.276 36.2 -95.0 -77.2 170.3 23.7 -50.3 20.2 54 81 A A T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 129.3 48.9 -58.6 -34.9 24.6 -53.6 18.5 55 82 A D T 3 S- 0 0 81 2,-0.0 -1,-0.3 1,-0.0 22,-0.1 0.286 123.3-107.2 -85.5 11.0 27.4 -51.9 16.6 56 83 A A < + 0 0 35 -3,-2.4 -2,-0.1 1,-0.3 23,-0.1 0.426 67.9 152.1 69.7 4.4 28.6 -50.3 19.9 57 84 A S - 0 0 19 -5,-0.1 -4,-2.7 21,-0.1 2,-0.4 -0.287 40.4-130.6 -50.9 146.2 27.4 -46.8 19.0 58 85 A K E -EF 52 75A 50 17,-1.9 17,-3.1 18,-0.4 2,-0.4 -0.887 19.3-165.4-117.2 137.3 26.6 -44.9 22.1 59 86 A V E -EF 51 74A 11 -8,-2.3 -8,-2.2 -2,-0.4 2,-0.4 -0.983 8.2-171.0-121.4 134.5 23.4 -43.0 23.0 60 87 A K E -EF 50 73A 60 13,-2.6 13,-2.9 -2,-0.4 2,-0.5 -0.989 7.1-166.2-133.4 122.9 23.4 -40.6 25.9 61 88 A L E -EF 49 72A 0 -12,-2.6 -12,-2.8 -2,-0.4 2,-0.5 -0.943 6.6-169.6-108.6 124.8 20.3 -38.9 27.3 62 89 A T E -EF 48 71A 42 9,-2.6 9,-2.5 -2,-0.5 2,-0.5 -0.979 1.5-167.4-117.1 118.4 21.0 -36.0 29.7 63 90 A I E -EF 47 70A 3 -16,-3.3 -16,-2.1 -2,-0.5 7,-0.2 -0.945 25.0-122.6-108.1 122.8 18.0 -34.6 31.6 64 91 A S > - 0 0 27 5,-2.6 3,-2.1 -2,-0.5 5,-0.1 -0.201 22.9-109.7 -65.4 159.6 18.7 -31.3 33.4 65 92 A D T 3 S+ 0 0 96 1,-0.3 -19,-0.2 2,-0.1 -1,-0.1 0.767 120.3 47.7 -58.3 -33.6 18.2 -30.9 37.2 66 93 A D T 3 S- 0 0 118 3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.351 108.7-125.6 -88.5 -1.5 15.1 -28.8 36.7 67 94 A L S < S+ 0 0 50 -3,-2.1 -2,-0.1 2,-0.2 3,-0.1 0.540 78.9 115.2 66.3 15.5 13.6 -31.1 34.2 68 95 A G S S+ 0 0 15 1,-0.1 22,-1.9 -61,-0.1 2,-0.3 0.563 71.1 37.4 -92.2 -10.6 13.3 -28.4 31.6 69 96 A Q E - G 0 89A 80 20,-0.2 -5,-2.6 21,-0.1 2,-0.4 -1.000 57.0-165.5-143.2 145.0 15.6 -29.6 29.1 70 97 A T E -FG 63 88A 1 18,-2.5 18,-2.7 -2,-0.3 2,-0.4 -0.973 5.4-161.1-123.8 145.6 16.8 -32.9 27.6 71 98 A T E -FG 62 87A 15 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.5 -0.995 4.2-169.0-122.1 128.0 19.8 -33.6 25.4 72 99 A L E -FG 61 86A 29 14,-2.7 14,-2.5 -2,-0.4 2,-0.4 -0.964 11.4-177.0-121.0 114.7 20.0 -36.8 23.3 73 100 A E E -FG 60 85A 24 -13,-2.9 -13,-2.6 -2,-0.5 2,-0.4 -0.893 15.5-160.5-112.8 140.9 23.4 -37.5 21.8 74 101 A V E -FG 59 84A 26 10,-2.3 9,-3.0 -2,-0.4 10,-1.4 -0.989 19.1-177.6-118.6 125.6 24.4 -40.3 19.4 75 102 A F E -FG 58 82A 22 -17,-3.1 -17,-1.9 -2,-0.4 7,-0.2 -0.872 29.5-105.4-118.5 156.3 28.2 -41.0 19.3 76 103 A K > - 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