==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 12-APR-07 2PI3 . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR M.BIANCALANA,K.MAKABE,V.TERECHKO,S.KOIDE . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 72.4 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 . 121 49.2 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 3.7 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 . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 4 6 4 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 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 28 O N 0 0 163 0, 0.0 16,-2.4 0, 0.0 17,-0.4 0.000 360.0 360.0 360.0 -64.5 22.1 -19.3 -48.8 2 29 O S E -A 16 0A 47 14,-0.3 2,-0.5 15,-0.1 14,-0.2 -0.925 360.0-137.2-135.6 159.8 21.5 -17.7 -45.4 3 30 O V E -A 15 0A 66 12,-2.7 12,-2.7 -2,-0.3 2,-0.5 -0.970 20.6-135.1-114.6 127.1 23.4 -16.2 -42.5 4 31 O S E -A 14 0A 63 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.747 22.4-160.0 -82.2 129.1 22.4 -17.1 -38.9 5 32 O V E -A 13 0A 23 8,-3.0 8,-2.0 -2,-0.5 2,-0.4 -0.935 12.2-131.3-114.4 132.4 22.4 -13.9 -36.8 6 33 O D E -A 12 0A 123 -2,-0.4 6,-0.2 6,-0.2 5,-0.0 -0.708 30.7-177.8 -89.0 131.9 22.6 -14.0 -33.0 7 34 O L > - 0 0 13 4,-2.7 3,-0.7 -2,-0.4 4,-0.4 -0.737 35.3 -71.3-123.0 164.7 20.1 -11.9 -31.1 8 35 O P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 -0.147 116.4 32.8 -50.2 154.2 19.2 -11.0 -27.5 9 36 O G G 3 S- 0 0 57 80,-0.3 3,-0.1 1,-0.3 81,-0.1 0.739 130.9 -76.0 66.4 24.5 17.6 -13.8 -25.5 10 37 O S G < S+ 0 0 118 -3,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.635 90.9 151.4 60.5 19.2 19.7 -16.4 -27.4 11 38 O M < - 0 0 35 -3,-1.3 -4,-2.7 -4,-0.4 2,-0.4 -0.363 31.5-153.5 -76.2 156.5 17.3 -16.0 -30.3 12 39 O K E -A 6 0A 126 18,-0.3 18,-0.4 -6,-0.2 2,-0.4 -0.992 8.0-167.3-130.5 141.9 18.5 -16.6 -33.9 13 40 O V E -A 5 0A 0 -8,-2.0 -8,-3.0 -2,-0.4 2,-0.5 -0.991 15.7-140.5-125.9 136.9 17.3 -15.1 -37.1 14 41 O L E -AB 4 28A 73 14,-3.2 14,-2.0 -2,-0.4 2,-0.4 -0.884 21.3-170.0 -92.1 126.1 18.3 -16.4 -40.6 15 42 O V E -AB 3 27A 3 -12,-2.7 -12,-2.7 -2,-0.5 12,-0.2 -0.932 30.4-105.2-115.3 138.2 18.8 -13.6 -43.1 16 43 O S E -A 2 0A 21 10,-2.0 -14,-0.3 -2,-0.4 29,-0.1 -0.329 24.0-131.3 -58.5 144.0 19.3 -14.3 -46.8 17 44 O K S S+ 0 0 136 -16,-2.4 2,-0.3 1,-0.0 -1,-0.1 0.794 89.8 23.4 -69.8 -26.7 23.0 -13.8 -47.9 18 45 O S S S- 0 0 83 -17,-0.4 8,-0.4 6,-0.1 2,-0.2 -0.900 85.5-106.9-136.1 164.4 21.8 -11.6 -50.7 19 46 O S - 0 0 54 -2,-0.3 6,-0.2 1,-0.1 22,-0.1 -0.526 28.9-119.6 -91.9 159.8 18.8 -9.4 -51.6 20 47 O N > - 0 0 66 4,-2.4 3,-2.3 -2,-0.2 -1,-0.1 -0.070 47.0 -77.2 -84.9-173.7 16.1 -10.1 -54.1 21 48 O A T 3 S+ 0 0 111 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.778 134.0 52.8 -61.7 -26.2 15.1 -8.0 -57.2 22 49 O D T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.426 120.0-110.4 -83.9 -0.9 13.4 -5.5 -54.9 23 50 O G S < S+ 0 0 37 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.570 74.9 134.7 83.7 9.6 16.6 -5.1 -52.8 24 51 O K - 0 0 77 15,-0.0 -4,-2.4 19,-0.0 2,-0.4 -0.627 48.4-136.7 -99.3 153.7 15.0 -6.9 -49.9 25 52 O Y E - C 0 40A 40 15,-3.2 15,-2.1 -2,-0.2 2,-0.3 -0.827 16.6-129.0-105.0 141.2 16.2 -9.6 -47.6 26 53 O D E - C 0 39A 83 -2,-0.4 -10,-2.0 -8,-0.4 2,-0.4 -0.697 22.7-160.1 -88.5 144.1 14.2 -12.6 -46.4 27 54 O L E +BC 15 38A 1 11,-2.8 11,-2.1 -2,-0.3 2,-0.3 -0.976 11.7 176.6-126.9 137.1 14.1 -13.4 -42.6 28 55 O I E +BC 14 37A 52 -14,-2.0 -14,-3.2 -2,-0.4 2,-0.3 -0.999 5.5 162.4-138.3 141.3 13.2 -16.6 -40.8 29 56 O A E - C 0 36A 4 7,-2.1 7,-3.5 -2,-0.3 2,-0.5 -0.984 28.5-139.8-148.7 157.0 13.2 -17.5 -37.2 30 57 O T E + C 0 35A 92 -18,-0.4 2,-0.4 -2,-0.3 -18,-0.3 -0.989 25.2 176.2-118.9 120.2 11.7 -20.2 -35.0 31 58 O V E > S- C 0 34A 13 3,-2.4 3,-1.7 -2,-0.5 -2,-0.1 -0.995 71.1 -13.2-128.3 123.9 10.4 -19.0 -31.6 32 59 O D T 3 S- 0 0 140 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.911 129.4 -54.4 49.2 47.3 8.6 -21.3 -29.2 33 60 O A T 3 S+ 0 0 100 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.560 115.1 114.2 66.7 13.5 8.2 -23.9 -32.0 34 61 O L E < -C 31 0A 37 -3,-1.7 -3,-2.4 17,-0.0 2,-0.5 -0.952 64.0-132.3-114.4 129.3 6.5 -21.5 -34.4 35 62 O E E -C 30 0A 127 -2,-0.5 2,-0.4 -5,-0.2 17,-0.3 -0.656 23.8-167.1 -81.1 128.3 8.2 -20.5 -37.6 36 63 O L E -C 29 0A 0 -7,-3.5 -7,-2.1 -2,-0.5 2,-0.3 -0.882 5.0-171.9-112.1 147.9 8.1 -16.7 -38.2 37 64 O S E +CD 28 50A 65 13,-2.3 13,-2.5 -2,-0.4 2,-0.3 -0.979 13.7 142.3-141.1 154.1 8.9 -15.0 -41.5 38 65 O G E -C 27 0A 16 -11,-2.1 -11,-2.8 -2,-0.3 2,-0.3 -0.953 34.0-116.2-167.9-176.5 9.4 -11.5 -42.8 39 66 O T E -C 26 0A 76 9,-0.4 9,-0.6 -2,-0.3 2,-0.3 -0.945 23.3-171.7-135.1 155.8 11.4 -9.3 -45.2 40 67 O S E -C 25 0A 12 -15,-2.1 -15,-3.2 -2,-0.3 7,-0.1 -0.993 33.5-137.8-145.3 152.1 13.6 -6.3 -44.5 41 68 O D S S+ 0 0 119 -2,-0.3 2,-0.3 -17,-0.2 6,-0.1 0.347 91.0 77.2 -88.2 4.6 15.4 -3.6 -46.4 42 69 O K - 0 0 81 4,-0.3 3,-0.3 -17,-0.1 -17,-0.2 -0.832 69.5-149.8-109.1 155.5 18.4 -4.2 -44.1 43 70 O N S S+ 0 0 103 -2,-0.3 -28,-0.1 1,-0.1 -17,-0.0 0.303 78.4 80.5-103.8 9.6 20.9 -7.1 -44.3 44 71 O N S S- 0 0 47 21,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.448 110.1 -92.6-104.2 -0.5 21.8 -7.5 -40.7 45 72 O G S S+ 0 0 0 1,-0.4 2,-0.1 -3,-0.3 18,-0.1 0.314 83.2 130.2 103.0 -6.5 18.9 -9.5 -39.3 46 73 O S + 0 0 1 19,-0.2 -1,-0.4 16,-0.1 -4,-0.3 -0.476 35.2 65.1 -77.5 155.7 16.8 -6.5 -38.1 47 74 O G E S- E 0 63A 13 16,-1.9 16,-3.1 -2,-0.1 2,-0.4 -0.893 81.3 -45.9 134.9-158.6 13.1 -6.1 -39.0 48 75 O V E - E 0 62A 53 -9,-0.6 -9,-0.4 -2,-0.3 2,-0.4 -0.915 39.2-175.7-118.7 130.4 9.7 -7.7 -38.4 49 76 O L E - E 0 61A 0 12,-2.8 12,-3.0 -2,-0.4 2,-0.3 -0.960 10.2-169.4-122.5 145.2 8.8 -11.5 -38.6 50 77 O E E +DE 37 60A 112 -13,-2.5 -13,-2.3 -2,-0.4 2,-0.3 -0.934 11.2 168.8-135.6 152.6 5.3 -12.8 -38.2 51 78 O G E - E 0 59A 11 8,-2.1 8,-2.8 -2,-0.3 2,-0.4 -0.951 25.2-129.3-152.7 172.4 3.5 -16.1 -37.8 52 79 O V E - E 0 58A 80 -2,-0.3 6,-0.2 -17,-0.3 -17,-0.1 -0.996 22.3-139.0-133.3 126.2 0.1 -17.4 -36.9 53 80 O K > - 0 0 90 4,-3.0 3,-1.9 -2,-0.4 2,-1.0 -0.246 34.9 -90.6 -75.0 164.4 -0.5 -20.1 -34.2 54 81 O A T 3 S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.801 125.9 44.9 -70.5 105.1 -2.9 -23.0 -34.3 55 82 O D T 3 S- 0 0 113 -2,-1.0 -1,-0.2 22,-0.0 22,-0.2 0.017 124.1 -97.1 133.6 -9.5 -5.8 -21.0 -32.8 56 83 O A S < S+ 0 0 39 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.403 73.4 149.3 91.2 -0.8 -5.3 -17.9 -35.0 57 84 O S - 0 0 18 -5,-0.1 -4,-3.0 21,-0.1 2,-0.4 -0.414 44.1-130.1 -60.4 138.4 -3.3 -15.9 -32.5 58 85 O K E -EF 52 75A 68 17,-1.1 17,-3.2 18,-0.6 2,-0.4 -0.786 18.1-159.7 -99.4 133.6 -0.8 -13.7 -34.3 59 86 O V E -EF 51 74A 9 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.4 -0.956 8.1-174.0-114.5 134.0 2.9 -13.7 -33.3 60 87 O K E -EF 50 73A 60 13,-2.7 13,-3.0 -2,-0.4 2,-0.5 -0.985 8.4-168.5-132.0 125.5 5.2 -10.8 -34.1 61 88 O L E -EF 49 72A 0 -12,-3.0 -12,-2.8 -2,-0.4 2,-0.5 -0.956 7.0-170.6-111.5 119.9 8.9 -10.5 -33.6 62 89 O T E -EF 48 71A 47 9,-2.7 9,-2.5 -2,-0.5 2,-0.5 -0.970 3.7-164.5-113.3 123.0 10.5 -7.1 -34.1 63 90 O I E -EF 47 70A 2 -16,-3.1 -16,-1.9 -2,-0.5 7,-0.2 -0.932 26.3-119.8-108.4 121.5 14.3 -6.9 -34.0 64 91 O S > - 0 0 28 5,-2.7 3,-2.1 -2,-0.5 5,-0.1 -0.173 26.6-105.1 -64.3 157.8 15.6 -3.4 -33.6 65 92 O D T 3 S+ 0 0 105 1,-0.3 -19,-0.2 2,-0.1 -1,-0.1 0.773 121.0 41.0 -56.5 -33.4 17.8 -1.9 -36.3 66 93 O D T 3 S- 0 0 132 3,-0.0 -1,-0.3 -20,-0.0 -2,-0.1 0.294 111.6-116.5 -97.4 9.3 21.0 -2.2 -34.3 67 94 O L S < S+ 0 0 42 -3,-2.1 -2,-0.1 2,-0.2 3,-0.1 0.574 81.1 123.5 67.5 13.4 20.1 -5.7 -33.0 68 95 O G S S+ 0 0 18 1,-0.1 22,-2.3 -61,-0.1 2,-0.3 0.597 70.3 26.3 -79.0 -12.7 20.1 -4.3 -29.5 69 96 O Q E - G 0 89A 79 20,-0.2 -5,-2.7 21,-0.1 2,-0.4 -0.998 57.5-157.4-154.0 142.7 16.5 -5.4 -28.6 70 97 O T E -FG 63 88A 4 18,-2.3 18,-2.3 -2,-0.3 2,-0.5 -0.958 6.9-162.0-117.4 142.7 13.9 -7.9 -29.5 71 98 O T E -FG 62 87A 20 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.6 -0.990 5.5-169.9-122.2 119.2 10.2 -7.4 -29.0 72 99 O L E -FG 61 86A 16 14,-2.9 14,-2.4 -2,-0.5 2,-0.4 -0.944 10.8-177.6-114.5 109.6 8.1 -10.6 -29.1 73 100 O E E -FG 60 85A 28 -13,-3.0 -13,-2.7 -2,-0.6 2,-0.5 -0.876 16.5-162.3-109.7 138.6 4.3 -9.9 -29.2 74 101 O V E -FG 59 84A 20 10,-2.2 9,-3.2 -2,-0.4 10,-1.6 -0.991 19.3-175.2-115.4 125.4 1.4 -12.4 -29.1 75 102 O F E -FG 58 82A 15 -17,-3.2 -17,-1.1 -2,-0.5 7,-0.2 -0.795 29.5-103.1-109.8 161.8 -1.9 -10.9 -30.2 76 103 O K > - 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