==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 10-FEB-11 3AUM . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR K.MAKABE . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 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 . 125 50.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 . 2 2 0 2 3 5 5 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 1 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 27 O K 0 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.3 0.5 -11.6 31.1 2 28 O N + 0 0 128 2,-0.0 16,-3.1 15,-0.0 17,-0.4 0.077 360.0 86.9 -92.8 22.0 2.8 -14.1 32.7 3 29 O S E -A 17 0A 31 14,-0.3 2,-0.3 15,-0.1 14,-0.2 -0.771 60.8-149.0-118.5 165.5 4.3 -15.1 29.3 4 30 O V E -A 16 0A 73 12,-2.6 12,-2.8 -2,-0.3 2,-0.3 -0.949 20.8-119.5-132.3 151.8 7.0 -13.9 27.0 5 31 O S E -A 15 0A 68 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.695 18.2-163.7 -95.0 143.3 7.2 -14.0 23.2 6 32 O V E -A 14 0A 28 8,-2.1 8,-2.2 -2,-0.3 2,-0.9 -0.994 8.4-154.7-125.7 121.7 9.8 -15.8 21.2 7 33 O D E -A 13 0A 117 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.870 26.3-150.6 -93.9 105.1 10.3 -15.0 17.5 8 34 O L > - 0 0 4 4,-2.6 3,-2.8 -2,-0.9 61,-0.1 -0.302 28.6 -84.8 -73.2 155.8 11.8 -18.1 16.1 9 35 O P T 3 S+ 0 0 28 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.434 126.7 36.5 -49.8 131.5 14.2 -18.5 13.2 10 36 O G T 3 S- 0 0 18 1,-0.2 -2,-0.1 -3,-0.1 59,-0.0 0.384 124.8 -97.1 90.1 -4.8 11.7 -18.6 10.3 11 37 O S S < S+ 0 0 90 -3,-2.8 2,-0.3 1,-0.3 -1,-0.2 0.551 75.0 141.8 75.2 16.3 9.5 -16.1 12.0 12 38 O M - 0 0 38 -3,-0.4 -4,-2.6 -4,-0.1 2,-0.4 -0.693 43.8-137.8 -79.0 142.4 6.8 -18.2 13.8 13 39 O K E -A 7 0A 128 -2,-0.3 18,-0.4 18,-0.3 2,-0.4 -0.848 21.0-176.4-104.8 138.2 6.0 -16.8 17.2 14 40 O V E -A 6 0A 1 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.5 -0.998 18.7-139.8-131.5 139.3 5.5 -18.9 20.3 15 41 O L E -AB 5 29A 64 14,-3.3 14,-2.0 -2,-0.4 2,-0.4 -0.862 21.0-169.7 -96.6 131.5 4.5 -17.6 23.8 16 42 O V E -AB 4 28A 0 -12,-2.8 -12,-2.6 -2,-0.5 12,-0.2 -0.948 28.1-108.0-121.6 137.2 6.4 -19.3 26.7 17 43 O S E -A 3 0A 16 10,-2.0 -14,-0.3 -2,-0.4 4,-0.0 -0.345 21.9-131.8 -60.9 145.3 5.4 -18.9 30.4 18 44 O K S S+ 0 0 150 -16,-3.1 2,-0.3 2,-0.0 -1,-0.1 0.855 90.0 26.7 -65.0 -36.9 7.9 -16.7 32.3 19 45 O S S S- 0 0 80 -17,-0.4 8,-0.4 6,-0.0 2,-0.2 -0.849 86.9-107.3-124.7 162.2 8.1 -19.4 35.1 20 46 O S - 0 0 55 -2,-0.3 6,-0.2 6,-0.1 22,-0.1 -0.477 29.6-119.0 -89.8 159.0 7.6 -23.1 35.2 21 47 O N > - 0 0 68 4,-3.0 3,-2.2 -2,-0.2 -1,-0.1 -0.065 46.6 -77.8 -81.6-175.3 4.7 -25.0 36.8 22 48 O A T 3 S+ 0 0 117 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.804 132.6 55.2 -60.5 -27.0 4.9 -27.5 39.7 23 49 O D T 3 S- 0 0 103 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.337 118.9-111.1 -85.8 7.7 6.2 -30.2 37.3 24 50 O G S < S+ 0 0 39 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.479 78.6 125.2 75.2 5.1 9.1 -27.9 36.3 25 51 O K - 0 0 83 -5,-0.0 -4,-3.0 -6,-0.0 2,-0.3 -0.610 54.5-130.1-101.8 158.2 7.6 -27.4 32.8 26 52 O Y E - C 0 41A 42 15,-3.0 15,-1.9 17,-0.3 2,-0.4 -0.787 20.7-118.2-103.9 144.4 6.8 -24.3 30.8 27 53 O D E - C 0 40A 70 -8,-0.4 -10,-2.0 -2,-0.3 2,-0.4 -0.669 27.3-161.7 -84.5 135.1 3.5 -23.6 29.0 28 54 O L E +BC 16 39A 1 11,-3.0 11,-2.0 -2,-0.4 2,-0.3 -0.946 11.4 175.5-117.6 137.4 3.6 -23.0 25.3 29 55 O I E +BC 15 38A 50 -14,-2.0 -14,-3.3 -2,-0.4 2,-0.3 -0.996 4.1 167.6-138.5 140.2 1.0 -21.3 23.1 30 56 O A E - C 0 37A 4 7,-2.1 7,-3.5 -2,-0.3 2,-0.5 -0.981 24.6-143.8-147.2 153.3 1.2 -20.6 19.4 31 57 O T E - C 0 36A 84 -18,-0.4 2,-0.6 -2,-0.3 -18,-0.3 -0.993 14.2-169.7-120.8 122.9 -1.3 -19.5 16.8 32 58 O V E > S- C 0 35A 27 3,-2.6 3,-2.3 -2,-0.5 -2,-0.0 -0.968 74.4 -32.4-118.7 112.1 -0.8 -20.9 13.3 33 59 O D T 3 S- 0 0 160 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.897 127.6 -41.9 36.9 60.7 -3.0 -19.2 10.7 34 60 O A T 3 S+ 0 0 97 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.237 115.3 110.4 80.5 -13.0 -5.8 -18.6 13.3 35 61 O L E < -C 32 0A 44 -3,-2.3 -3,-2.6 17,-0.0 2,-0.4 -0.836 62.8-136.6 -95.6 129.4 -5.7 -22.1 15.0 36 62 O E E -C 31 0A 125 -2,-0.5 2,-0.3 -5,-0.2 17,-0.3 -0.705 19.8-169.0 -86.9 131.7 -4.4 -22.0 18.6 37 63 O L E -C 30 0A 1 -7,-3.5 -7,-2.1 -2,-0.4 2,-0.3 -0.854 3.9-171.8-114.6 149.9 -1.9 -24.7 19.6 38 64 O S E +CD 29 51A 66 13,-2.3 13,-2.8 -2,-0.3 2,-0.3 -0.983 15.9 136.4-140.8 151.8 -0.8 -25.5 23.1 39 65 O G E -C 28 0A 21 -11,-2.0 -11,-3.0 -2,-0.3 2,-0.3 -0.956 37.2-113.6-166.8-171.7 1.8 -27.7 24.9 40 66 O T E -C 27 0A 64 9,-0.4 9,-0.6 -2,-0.3 2,-0.3 -0.944 23.7-168.7-134.5 159.1 4.4 -27.8 27.7 41 67 O S E -C 26 0A 10 -15,-1.9 -15,-3.0 -2,-0.3 7,-0.1 -0.989 33.0-132.8-145.7 151.5 8.2 -28.1 27.6 42 68 O D S S+ 0 0 122 -2,-0.3 2,-0.3 -17,-0.2 6,-0.1 0.444 95.1 67.9 -84.9 2.8 11.0 -28.8 30.0 43 69 O K - 0 0 72 4,-0.3 -17,-0.3 -17,-0.1 -2,-0.2 -0.806 66.8-154.3-112.6 159.4 12.8 -25.8 28.3 44 70 O N S S+ 0 0 91 -2,-0.3 -28,-0.1 1,-0.1 4,-0.0 0.176 74.8 87.9-116.9 18.9 11.9 -22.1 28.4 45 71 O N S S- 0 0 51 21,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.461 112.0 -90.7 -94.6 -3.7 13.5 -20.9 25.1 46 72 O G S S+ 0 0 0 1,-0.4 2,-0.1 -3,-0.1 -40,-0.1 0.304 86.7 128.5 106.7 -6.0 10.4 -21.7 22.9 47 73 O S + 0 0 0 19,-0.2 -1,-0.4 16,-0.1 -4,-0.3 -0.445 36.0 65.9 -79.5 155.6 11.4 -25.3 22.0 48 74 O G E S- E 0 64A 13 16,-2.1 16,-2.9 -2,-0.1 2,-0.4 -0.860 79.3 -50.6 132.5-166.0 9.0 -28.2 22.4 49 75 O V E - E 0 63A 51 -9,-0.6 -9,-0.4 -2,-0.3 2,-0.4 -0.917 38.0-176.8-117.7 135.4 5.8 -29.6 21.1 50 76 O L E - E 0 62A 0 12,-2.8 12,-2.8 -2,-0.4 2,-0.3 -0.972 8.8-167.6-127.7 146.8 2.4 -27.9 20.7 51 77 O E E +DE 38 61A 112 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.3 -0.929 13.5 156.8-135.5 152.6 -0.8 -29.5 19.5 52 78 O G E - E 0 60A 15 8,-2.1 8,-2.9 -2,-0.3 2,-0.4 -0.950 31.8-118.9-159.4 176.9 -4.3 -28.6 18.4 53 79 O V E - E 0 59A 74 -2,-0.3 6,-0.2 -17,-0.3 -17,-0.1 -0.995 24.1-129.8-130.1 127.5 -7.2 -29.9 16.3 54 80 O K > - 0 0 94 4,-2.6 3,-2.2 -2,-0.4 6,-0.0 -0.199 32.7-103.7 -67.7 164.6 -8.6 -28.2 13.2 55 81 O A T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.876 125.9 53.8 -60.7 -34.5 -12.4 -27.6 12.8 56 82 O D T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.0 22,-0.1 0.315 124.4-106.2 -80.0 6.8 -12.5 -30.6 10.5 57 83 O A < + 0 0 44 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.396 68.9 149.3 82.9 3.7 -10.8 -32.7 13.2 58 84 O S - 0 0 17 1,-0.1 -4,-2.6 -5,-0.1 2,-0.4 -0.390 49.0-120.1 -62.3 142.9 -7.4 -33.0 11.6 59 85 O K E -EF 53 76A 86 17,-1.4 17,-3.1 18,-0.5 2,-0.4 -0.734 27.6-162.7 -88.4 135.2 -4.6 -33.2 14.1 60 86 O V E -EF 52 75A 6 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.4 -0.963 8.5-178.2-120.4 133.4 -2.0 -30.5 14.1 61 87 O K E -EF 51 74A 67 13,-2.5 13,-3.0 -2,-0.4 2,-0.5 -0.995 10.2-164.6-134.1 130.4 1.4 -30.6 15.8 62 88 O L E -EF 50 73A 1 -12,-2.8 -12,-2.8 -2,-0.4 2,-0.5 -0.967 10.6-171.4-111.3 122.0 4.1 -27.9 15.9 63 89 O T E -EF 49 72A 46 9,-2.8 9,-2.8 -2,-0.5 2,-0.5 -0.978 3.7-168.0-120.8 121.2 7.6 -29.2 16.9 64 90 O I E -EF 48 71A 3 -16,-2.9 -16,-2.1 -2,-0.5 7,-0.2 -0.930 26.4-119.3-112.1 123.2 10.3 -26.7 17.6 65 91 O S > - 0 0 31 5,-2.8 3,-2.1 -2,-0.5 5,-0.0 -0.214 25.3-108.9 -65.1 156.3 13.8 -28.1 17.9 66 92 O D T 3 S+ 0 0 97 1,-0.3 -19,-0.2 -19,-0.1 -1,-0.1 0.800 121.1 44.2 -55.1 -35.5 15.8 -27.7 21.1 67 93 O D T 3 S- 0 0 126 3,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.376 110.3-121.7 -90.9 2.1 18.2 -25.1 19.6 68 94 O L S < S+ 0 0 33 -3,-2.1 -2,-0.1 2,-0.2 -3,-0.1 0.393 82.8 115.8 73.6 1.0 15.3 -23.3 17.8 69 95 O G + 0 0 12 1,-0.1 22,-3.5 -61,-0.1 2,-0.4 0.604 69.5 47.2 -79.2 -14.2 16.9 -23.9 14.4 70 96 O Q E - G 0 90A 86 20,-0.2 -5,-2.8 -5,-0.0 2,-0.4 -0.996 59.0-172.8-134.1 132.4 14.1 -26.1 13.1 71 97 O T E -FG 64 89A 2 18,-2.0 18,-2.6 -2,-0.4 2,-0.4 -0.996 7.7-170.8-120.7 125.8 10.4 -25.7 13.1 72 98 O T E -FG 63 88A 14 -9,-2.8 -9,-2.8 -2,-0.4 2,-0.5 -0.976 5.0-171.1-118.1 129.8 8.1 -28.5 11.9 73 99 O L E -FG 62 87A 15 14,-2.9 14,-2.8 -2,-0.4 2,-0.4 -0.972 12.5-176.9-121.5 116.5 4.3 -28.1 11.4 74 100 O E E -FG 61 86A 33 -13,-3.0 -13,-2.5 -2,-0.5 2,-0.4 -0.894 14.6-165.3-115.5 140.1 2.4 -31.3 10.7 75 101 O V E -FG 60 85A 11 10,-2.4 9,-3.1 -2,-0.4 10,-1.8 -0.995 16.9-176.9-122.4 130.9 -1.2 -31.9 9.9 76 102 O F E -FG 59 83A 38 -17,-3.1 -17,-1.4 -2,-0.4 7,-0.2 -0.820 34.3 -86.9-119.3 162.3 -2.6 -35.5 10.2 77 103 O K > - 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