==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 25-AUG-06 2I5V . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR 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) . 13947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 68.7 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 . 122 49.6 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 3.7 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 . 17 6.9 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 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 0 2 4 6 3 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 28 O N 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.8 -0.6 14.4 -31.5 2 29 O S - 0 0 54 1,-0.1 2,-0.5 14,-0.1 14,-0.2 0.005 360.0-121.1 -58.1 163.3 -1.8 12.0 -28.8 3 30 O V E -A 15 0A 68 12,-2.9 12,-2.3 2,-0.0 2,-0.4 -0.922 14.8-135.0-111.4 127.5 -4.9 12.5 -26.8 4 31 O S E -A 14 0A 73 -2,-0.5 2,-0.5 10,-0.2 10,-0.2 -0.688 22.8-165.7 -81.0 130.2 -4.9 12.8 -23.0 5 32 O V E -A 13 0A 21 8,-3.0 8,-2.1 -2,-0.4 2,-0.3 -0.972 15.6-132.0-123.9 128.7 -7.7 10.8 -21.4 6 33 O D E -A 12 0A 110 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.593 28.6-163.3 -79.2 134.9 -8.8 11.2 -17.8 7 34 O L E >> -A 11 0A 4 4,-2.5 4,-1.4 -2,-0.3 3,-0.6 -0.924 24.1-104.1-123.8 147.0 -9.2 8.0 -15.8 8 35 O P T 34 S+ 0 0 12 0, 0.0 80,-0.1 0, 0.0 82,-0.1 -0.304 104.4 46.6 -56.2 146.2 -10.8 6.8 -12.6 9 36 O G T 34 S- 0 0 12 1,-0.1 60,-0.0 80,-0.1 85,-0.0 0.673 129.7 -76.1 86.3 22.1 -8.3 6.3 -9.8 10 37 O S T <4 S+ 0 0 128 -3,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.917 96.3 126.0 55.6 50.9 -6.5 9.6 -10.4 11 38 O M E < -A 7 0A 15 -4,-1.4 -4,-2.5 20,-0.1 2,-0.3 -0.859 45.6-149.7-129.6 164.4 -4.6 8.5 -13.5 12 39 O K E -A 6 0A 108 18,-0.3 18,-0.4 -2,-0.3 2,-0.4 -0.975 7.2-162.6-128.8 148.5 -4.2 9.8 -17.1 13 40 O V E -A 5 0A 0 -8,-2.1 -8,-3.0 -2,-0.3 2,-0.5 -0.983 10.9-143.9-128.1 143.3 -3.6 7.8 -20.3 14 41 O L E -AB 4 28A 63 14,-3.0 14,-2.0 -2,-0.4 2,-0.4 -0.928 17.7-166.6-101.2 129.4 -2.3 9.1 -23.6 15 42 O V E -AB 3 27A 2 -12,-2.3 -12,-2.9 -2,-0.5 12,-0.2 -0.934 27.3-105.4-118.1 139.4 -3.7 7.4 -26.7 16 43 O S - 0 0 23 10,-2.3 -14,-0.1 -2,-0.4 29,-0.1 -0.244 21.3-129.3 -60.4 149.4 -2.3 7.8 -30.2 17 44 O K S S+ 0 0 136 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.855 90.2 26.2 -65.3 -38.4 -4.2 10.0 -32.6 18 45 O S S S- 0 0 85 6,-0.0 8,-0.4 8,-0.0 2,-0.1 -0.889 85.8-106.7-129.5 156.7 -4.2 7.4 -35.3 19 46 O S - 0 0 57 -2,-0.3 6,-0.2 1,-0.1 5,-0.1 -0.381 30.9-116.2 -82.9 161.3 -4.1 3.6 -35.4 20 47 O N > - 0 0 57 4,-3.0 3,-2.2 -2,-0.1 -1,-0.1 -0.053 48.1 -76.1 -83.9-172.9 -1.1 1.4 -36.5 21 48 O A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.770 134.4 49.9 -59.7 -28.2 -1.0 -1.0 -39.5 22 49 O D T 3 S- 0 0 124 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.329 122.1-105.2 -91.2 3.6 -3.0 -3.5 -37.6 23 50 O G S < S+ 0 0 33 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.517 78.1 134.0 84.5 7.4 -5.7 -0.9 -36.6 24 51 O K - 0 0 74 -5,-0.1 -4,-3.0 -6,-0.0 2,-0.4 -0.608 49.6-131.8 -99.7 152.2 -4.5 -0.7 -33.0 25 52 O Y E - C 0 40A 41 15,-2.8 15,-2.2 17,-0.3 2,-0.3 -0.781 17.0-126.5-101.1 140.2 -3.8 2.4 -30.9 26 53 O D E - C 0 39A 82 -8,-0.4 -10,-2.3 -2,-0.4 2,-0.4 -0.666 25.0-162.7 -84.0 140.6 -0.7 3.0 -28.8 27 54 O L E +BC 15 38A 1 11,-2.8 11,-2.2 -2,-0.3 2,-0.3 -0.977 10.8 177.3-124.6 137.9 -1.2 3.8 -25.1 28 55 O I E +BC 14 37A 85 -14,-2.0 -14,-3.0 -2,-0.4 2,-0.3 -0.996 5.3 166.2-136.3 143.3 1.2 5.3 -22.6 29 56 O A E - C 0 36A 4 7,-2.1 7,-3.3 -2,-0.3 2,-0.4 -0.985 23.7-146.6-147.4 156.5 0.7 6.3 -19.0 30 57 O T E - C 0 35A 75 -18,-0.4 2,-0.5 -2,-0.3 -18,-0.3 -0.996 15.0-174.4-125.9 124.7 2.9 7.2 -16.0 31 58 O V E > S- C 0 34A 31 3,-2.5 3,-2.4 -2,-0.4 -20,-0.1 -0.975 74.3 -25.3-123.5 114.8 1.8 6.1 -12.6 32 59 O D T 3 S- 0 0 163 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.917 128.7 -47.5 42.7 53.4 3.9 7.4 -9.6 33 60 O A T 3 S+ 0 0 90 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.263 112.6 122.3 76.1 -7.4 6.9 7.8 -11.9 34 61 O L E < -C 31 0A 38 -3,-2.4 -3,-2.5 17,-0.0 2,-0.4 -0.753 57.5-137.7 -88.5 127.2 6.5 4.3 -13.5 35 62 O E E -C 30 0A 123 -2,-0.5 17,-0.4 -5,-0.2 2,-0.3 -0.689 22.4-174.2 -85.2 129.7 6.1 4.3 -17.3 36 63 O L E -C 29 0A 3 -7,-3.3 -7,-2.1 -2,-0.4 2,-0.3 -0.915 2.4-178.1-120.2 150.0 3.5 1.9 -18.7 37 64 O S E +CD 28 50A 71 13,-2.2 13,-2.6 -2,-0.3 2,-0.3 -0.988 10.8 141.7-146.0 155.0 2.7 1.1 -22.3 38 65 O G E -C 27 0A 18 -11,-2.2 -11,-2.8 -2,-0.3 2,-0.3 -0.961 36.4-111.1-168.8-176.6 0.3 -0.9 -24.4 39 66 O T E -C 26 0A 83 9,-0.4 9,-0.6 -2,-0.3 2,-0.3 -0.950 27.9-161.2-131.3 155.5 -1.8 -1.2 -27.5 40 67 O S E -C 25 0A 11 -15,-2.2 -15,-2.8 -2,-0.3 7,-0.1 -0.974 31.5-138.0-141.0 150.6 -5.6 -1.3 -27.8 41 68 O D S S+ 0 0 124 -2,-0.3 2,-0.3 -17,-0.2 6,-0.1 0.516 92.5 65.1 -71.8 -16.9 -8.4 -2.3 -30.1 42 69 O K S S- 0 0 80 4,-0.4 -17,-0.3 -17,-0.1 3,-0.2 -0.766 70.4-144.6-114.7 163.3 -10.1 1.0 -29.2 43 70 O N S S+ 0 0 97 -2,-0.3 -28,-0.1 1,-0.1 -17,-0.0 0.274 82.4 78.3-107.8 10.3 -9.3 4.6 -29.7 44 71 O N S S- 0 0 42 21,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.385 112.0 -88.9-107.4 1.3 -10.7 6.1 -26.4 45 72 O G S S+ 0 0 0 1,-0.4 2,-0.1 -3,-0.2 18,-0.1 0.271 86.1 127.7 104.9 -8.5 -8.0 5.2 -23.8 46 73 O S + 0 0 0 19,-0.2 -1,-0.4 16,-0.1 -4,-0.4 -0.427 37.0 63.1 -77.0 158.7 -9.3 1.8 -22.8 47 74 O G E S- E 0 63A 13 16,-2.1 16,-3.0 -2,-0.1 2,-0.4 -0.876 81.9 -44.3 128.2-159.8 -7.2 -1.3 -22.9 48 75 O V E - E 0 62A 52 -9,-0.6 -9,-0.4 -2,-0.3 2,-0.3 -0.913 39.3-177.1-119.7 133.6 -4.2 -2.7 -21.1 49 76 O L E - E 0 61A 0 12,-2.7 12,-2.7 -2,-0.4 2,-0.3 -0.959 9.5-166.1-125.1 150.6 -0.8 -1.1 -20.3 50 77 O E E +DE 37 60A 106 -13,-2.6 -13,-2.2 -2,-0.3 2,-0.3 -0.940 13.7 157.4-136.9 154.1 2.2 -2.8 -18.7 51 78 O G E - E 0 59A 15 8,-2.2 8,-2.6 -2,-0.3 2,-0.4 -0.917 30.3-119.8-159.3-177.3 5.4 -2.0 -17.1 52 79 O V E - E 0 58A 80 -17,-0.4 6,-0.2 -2,-0.3 -17,-0.2 -0.990 22.4-130.9-140.8 126.3 8.1 -3.3 -14.7 53 80 O K > - 0 0 91 4,-2.8 3,-2.4 -2,-0.4 6,-0.0 -0.228 33.3-102.2 -70.9 164.6 9.2 -1.8 -11.4 54 81 O A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -20,-0.0 0.817 125.3 54.4 -55.6 -33.3 12.8 -1.3 -10.4 55 82 O D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 22,-0.1 0.284 123.8-105.6 -87.2 11.0 12.5 -4.4 -8.2 56 83 O A S < S+ 0 0 48 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.349 70.4 147.4 82.6 -2.3 11.3 -6.5 -11.3 57 84 O S - 0 0 16 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.400 48.2-123.3 -58.7 138.8 7.7 -6.6 -10.1 58 85 O K E -EF 52 75A 84 17,-1.1 17,-2.7 18,-0.7 2,-0.4 -0.647 24.7-161.0 -84.5 144.3 5.3 -6.6 -13.1 59 86 O V E -EF 51 74A 7 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.4 -0.989 8.0-175.4-127.1 134.2 2.6 -3.9 -13.3 60 87 O K E -EF 50 73A 68 13,-2.4 13,-2.9 -2,-0.4 2,-0.5 -0.997 8.8-165.1-131.2 131.7 -0.6 -4.0 -15.4 61 88 O L E -EF 49 72A 0 -12,-2.7 -12,-2.7 -2,-0.4 2,-0.5 -0.973 9.8-169.9-111.2 120.6 -3.2 -1.2 -15.7 62 89 O T E -EF 48 71A 48 9,-2.7 9,-2.3 -2,-0.5 2,-0.5 -0.971 1.6-166.9-116.5 123.7 -6.5 -2.4 -17.3 63 90 O I E -EF 47 70A 2 -16,-3.0 -16,-2.1 -2,-0.5 7,-0.2 -0.946 25.4-118.9-114.0 123.0 -9.0 0.3 -18.3 64 91 O S > - 0 0 33 5,-2.7 3,-2.3 -2,-0.5 -1,-0.0 -0.144 28.0-105.3 -63.8 156.7 -12.5 -0.9 -19.1 65 92 O D T 3 S+ 0 0 115 1,-0.3 -19,-0.2 2,-0.1 -21,-0.1 0.790 121.2 42.5 -56.3 -33.1 -13.9 -0.3 -22.5 66 93 O D T 3 S- 0 0 114 -21,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.296 111.3-117.2 -96.6 8.5 -16.2 2.5 -21.4 67 94 O L S < S+ 0 0 46 -3,-2.3 -2,-0.1 2,-0.2 3,-0.0 0.507 83.3 117.7 69.9 9.8 -13.5 4.2 -19.2 68 95 O G S S+ 0 0 17 1,-0.1 2,-0.4 -61,-0.1 24,-0.3 0.724 70.5 35.6 -79.9 -22.6 -15.6 3.6 -16.1 69 96 O Q - 0 0 79 20,-0.1 -5,-2.7 21,-0.1 2,-0.4 -0.986 58.8-167.4-137.7 141.0 -13.3 1.3 -14.2 70 97 O T E -FG 63 88A 2 18,-2.0 18,-2.6 -2,-0.4 2,-0.4 -0.979 3.2-164.7-125.3 146.4 -9.5 0.9 -13.8 71 98 O T E -FG 62 87A 16 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.5 -0.998 1.7-168.8-128.2 126.8 -7.6 -2.0 -12.3 72 99 O L E -FG 61 86A 32 14,-2.8 14,-2.6 -2,-0.4 2,-0.4 -0.971 14.1-177.2-120.4 114.1 -3.9 -1.6 -11.3 73 100 O E E -FG 60 85A 30 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.4 -0.899 15.7-162.2-116.5 142.4 -2.2 -4.9 -10.5 74 101 O V E -FG 59 84A 16 10,-2.4 9,-3.3 -2,-0.4 10,-1.8 -0.982 15.9-176.8-120.3 135.9 1.3 -5.7 -9.2 75 102 O F E -FG 58 82A 32 -17,-2.7 -17,-1.1 -2,-0.4 7,-0.2 -0.839 33.1 -90.6-123.8 162.5 2.8 -9.2 -9.6 76 103 O K > - 0 0 96 5,-2.5 3,-2.1 -2,-0.3 -18,-0.7 -0.107 60.5 -83.6 -62.7 172.9 6.0 -10.9 -8.6 77 104 O S T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -20,-0.2 -21,-0.0 0.689 129.1 52.8 -65.9 -23.1 8.8 -10.9 -11.2 78 105 O D T 3 S- 0 0 120 3,-0.1 -1,-0.3 -20,-0.1 -21,-0.1 0.587 107.7-124.6 -82.3 -10.0 7.6 -13.8 -13.3 79 106 O G S < S+ 0 0 29 -3,-2.1 -2,-0.1 2,-0.2 3,-0.1 0.492 84.9 101.2 81.8 5.2 4.2 -12.2 -13.6 80 107 O S + 0 0 94 1,-0.1 2,-0.5 2,-0.0 -3,-0.1 0.899 68.3 55.3 -89.4 -44.4 2.3 -15.2 -12.2 81 108 O T S S- 0 0 40 20,-0.0 -5,-2.5 1,-0.0 -2,-0.2 -0.818 78.9-126.2-103.0 127.7 1.5 -14.3 -8.6 82 109 O L E +G 75 0A 37 -2,-0.5 -7,-0.3 -7,-0.2 21,-0.1 -0.385 25.1 175.7 -68.6 143.3 -0.4 -11.2 -7.5 83 110 O V E S- 0 0 45 -9,-3.3 16,-2.0 1,-0.4 2,-0.3 0.659 71.1 -5.8-109.1 -43.2 1.1 -8.9 -4.9 84 111 O S E -GH 74 98A 30 -10,-1.8 -10,-2.4 14,-0.2 -1,-0.4 -0.994 53.6-164.1-155.6 154.4 -1.6 -6.2 -5.0 85 112 O K E -GH 73 97A 70 12,-2.2 12,-2.8 -2,-0.3 2,-0.5 -0.948 4.1-171.7-145.1 120.0 -4.8 -5.2 -6.9 86 113 O K E -GH 72 96A 59 -14,-2.6 -14,-2.8 -2,-0.3 2,-0.5 -0.969 6.5-174.7-113.8 123.5 -6.5 -1.8 -6.9 87 114 O V E -GH 71 95A 28 8,-2.7 8,-2.5 -2,-0.5 2,-0.6 -0.978 10.1-170.0-120.1 125.1 -9.9 -1.5 -8.5 88 115 O T E -GH 70 94A 3 -18,-2.6 -18,-2.0 -2,-0.5 6,-0.2 -0.969 21.8-158.8-109.8 114.0 -11.7 1.9 -8.9 89 116 O S > - 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