==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 04-JAN-06 2FKJ . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR K.MAKABE,V.TERECHKO,G.GAWLAK,S.YAN,S.KOIDE . 1083 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 789 72.9 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 . 573 52.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 57 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 0.1 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 . 106 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 2 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 . 7 8 2 4 27 33 9 2 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 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 0 166 0, 0.0 16,-1.9 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -3.5 -13.4 -27.5 75.0 2 29 A S E -A 16 0A 40 14,-0.3 2,-0.4 15,-0.1 14,-0.2 -0.827 360.0-114.6-149.1 179.2 -12.0 -24.7 72.7 3 30 A V E -A 15 0A 80 12,-2.4 12,-2.3 -2,-0.2 2,-0.3 -0.991 22.1-129.0-129.4 135.4 -11.3 -23.6 69.1 4 31 A S E -A 14 0A 72 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.589 16.6-165.1 -75.2 138.5 -7.9 -22.8 67.4 5 32 A V E -A 13 0A 32 8,-2.2 8,-2.3 -2,-0.3 2,-0.3 -0.978 15.2-143.1-119.2 115.4 -7.6 -19.5 65.5 6 33 A D E -A 12 0A 115 -2,-0.5 6,-0.3 6,-0.2 4,-0.0 -0.626 26.8-169.0 -81.9 140.8 -4.6 -19.5 63.2 7 34 A L E >> -A 11 0A 8 4,-3.3 4,-0.7 -2,-0.3 3,-0.5 -0.581 26.8 -78.5-126.0 174.1 -2.8 -16.1 63.1 8 35 A P T 34 S+ 0 0 13 0, 0.0 80,-0.1 0, 0.0 82,-0.1 -0.410 111.6 45.4 -69.6 157.1 -0.1 -14.0 61.3 9 36 A G T 34 S- 0 0 17 80,-0.3 81,-0.1 1,-0.1 -2,-0.0 0.691 129.2 -84.6 77.8 19.9 3.5 -14.8 62.3 10 37 A E T <4 S+ 0 0 155 -3,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.953 94.3 122.9 37.2 73.1 2.5 -18.4 61.8 11 38 A M E < -A 7 0A 25 -4,-0.7 -4,-3.3 20,-0.1 2,-0.4 -0.976 50.1-139.4-147.5 159.9 1.1 -18.9 65.3 12 39 A K E -A 6 0A 129 -2,-0.3 18,-0.4 18,-0.3 2,-0.4 -0.966 5.7-153.8-122.3 134.1 -2.3 -20.1 66.7 13 40 A V E -A 5 0A 0 -8,-2.3 -8,-2.2 -2,-0.4 2,-0.5 -0.869 15.0-140.5-100.0 140.5 -4.3 -18.7 69.7 14 41 A L E -AB 4 28A 58 14,-2.3 14,-1.6 -2,-0.4 2,-0.4 -0.881 16.8-168.9-101.7 126.7 -6.8 -21.0 71.5 15 42 A V E -AB 3 27A 2 -12,-2.3 -12,-2.4 -2,-0.5 12,-0.2 -0.954 21.6-120.8-116.8 130.7 -10.1 -19.5 72.6 16 43 A S E -A 2 0A 25 10,-1.5 -14,-0.3 -2,-0.4 4,-0.1 -0.187 20.8-119.5 -64.9 157.3 -12.6 -21.3 74.9 17 44 A K S S+ 0 0 142 -16,-1.9 2,-0.3 1,-0.1 -15,-0.1 0.829 92.2 15.7 -73.0 -31.6 -16.2 -22.1 73.8 18 45 A E S S- 0 0 149 -17,-0.3 8,-0.3 1,-0.2 -1,-0.1 -0.951 92.9 -78.6-140.3 167.0 -17.8 -20.0 76.6 19 46 A K - 0 0 98 -2,-0.3 6,-0.2 6,-0.1 -1,-0.2 0.251 40.7-118.6 -59.7 176.5 -16.8 -17.3 79.2 20 47 A N > - 0 0 44 4,-2.0 3,-1.3 -4,-0.1 -1,-0.1 -0.298 41.0 -80.0-103.0-167.3 -15.0 -17.8 82.6 21 48 A K T 3 S+ 0 0 190 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.848 132.0 45.8 -64.8 -34.4 -15.9 -17.0 86.3 22 49 A D T 3 S- 0 0 136 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.221 122.6-105.0 -94.4 16.6 -15.1 -13.3 85.8 23 50 A G S < S+ 0 0 30 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.581 83.8 118.9 79.0 8.7 -17.1 -13.1 82.5 24 51 A K - 0 0 76 -6,-0.1 -4,-2.0 -5,-0.0 2,-0.4 -0.628 66.4-112.3-102.4 161.7 -13.9 -13.0 80.3 25 52 A Y E - C 0 40A 38 15,-2.9 15,-1.6 -6,-0.2 2,-0.3 -0.771 29.4-127.1 -91.4 141.2 -12.8 -15.5 77.6 26 53 A D E - C 0 39A 79 -2,-0.4 -10,-1.5 -8,-0.3 2,-0.4 -0.679 24.9-168.6 -86.4 138.8 -9.6 -17.6 78.3 27 54 A L E +BC 15 38A 3 11,-2.7 11,-2.4 -2,-0.3 2,-0.4 -0.989 8.1 175.8-128.8 134.7 -6.8 -17.6 75.7 28 55 A I E +BC 14 37A 52 -14,-1.6 -14,-2.3 -2,-0.4 2,-0.3 -0.997 4.8 163.9-137.4 135.4 -3.7 -19.8 75.5 29 56 A A E - C 0 36A 4 7,-2.1 7,-3.8 -2,-0.4 2,-0.5 -0.995 29.6-131.7-147.3 155.3 -1.0 -20.1 72.9 30 57 A T E - C 0 35A 93 -18,-0.4 2,-0.4 -2,-0.3 -18,-0.3 -0.923 24.4-178.2-110.5 124.2 2.5 -21.6 72.6 31 58 A V E > S- C 0 34A 14 3,-3.2 3,-2.6 -2,-0.5 -20,-0.1 -0.989 70.0 -21.0-125.2 131.5 5.3 -19.4 71.2 32 59 A D T 3 S- 0 0 139 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.901 130.8 -48.3 34.0 54.7 9.0 -20.6 70.7 33 60 A K T 3 S+ 0 0 194 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.661 117.5 117.7 67.8 15.3 8.2 -23.3 73.3 34 61 A L E < -C 31 0A 36 -3,-2.6 -3,-3.2 17,-0.0 2,-0.6 -0.953 61.0-136.6-117.0 129.9 6.7 -20.9 75.8 35 62 A E E -C 30 0A 107 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.3 -0.716 20.3-162.4 -88.0 118.1 3.0 -21.1 76.9 36 63 A L E -C 29 0A 0 -7,-3.8 -7,-2.1 -2,-0.6 2,-0.4 -0.817 3.2-164.1-102.7 135.7 1.3 -17.7 76.9 37 64 A K E +CD 28 50A 141 13,-2.7 13,-2.4 -2,-0.4 2,-0.3 -0.929 15.6 158.8-122.4 142.0 -2.0 -17.1 78.8 38 65 A G E -C 27 0A 14 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.4 -0.997 29.4-139.4-157.9 160.2 -4.4 -14.2 78.5 39 66 A T E +C 26 0A 75 9,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.979 23.7 173.0-126.7 124.2 -8.0 -13.0 79.1 40 67 A S E -C 25 0A 13 -15,-1.6 -15,-2.9 -2,-0.4 7,-0.1 -0.905 38.7-130.0-123.7 157.5 -10.0 -10.8 76.7 41 68 A D S S+ 0 0 103 -2,-0.3 2,-0.2 -17,-0.2 -1,-0.1 0.860 93.4 67.1 -66.3 -33.9 -13.7 -9.6 76.6 42 69 A K - 0 0 108 -17,-0.1 3,-0.3 1,-0.1 -2,-0.2 -0.542 66.0-155.0 -94.0 152.4 -13.9 -10.8 72.9 43 70 A N + 0 0 84 -2,-0.2 -28,-0.1 1,-0.1 -1,-0.1 0.097 69.8 97.3-113.4 23.1 -13.8 -14.5 71.6 44 71 A N S S- 0 0 53 21,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.491 109.0 -94.4 -85.2 -1.5 -12.6 -13.9 68.0 45 72 A G S S+ 0 0 0 1,-0.3 18,-0.1 -3,-0.3 -2,-0.1 0.163 87.3 129.5 107.4 -16.3 -9.0 -14.8 69.2 46 73 A S + 0 0 6 19,-0.2 -1,-0.3 16,-0.1 2,-0.2 -0.177 33.0 71.0 -67.5 162.9 -8.0 -11.1 69.7 47 74 A G E S- E 0 63A 16 16,-2.4 16,-3.1 -3,-0.1 2,-0.4 -0.719 77.7 -59.3 127.7-174.2 -6.4 -9.9 73.0 48 75 A V E - E 0 62A 50 14,-0.2 2,-0.4 -9,-0.2 -9,-0.4 -0.902 36.7-172.7-113.3 137.0 -3.1 -10.0 74.9 49 76 A L E - E 0 61A 0 12,-2.6 12,-3.3 -2,-0.4 2,-0.3 -0.977 7.4-165.4-122.7 139.4 -1.3 -13.1 76.3 50 77 A E E +DE 37 60A 111 -13,-2.4 -13,-2.7 -2,-0.4 2,-0.3 -0.829 10.5 171.0-118.9 161.4 1.8 -13.1 78.6 51 78 A G E - E 0 59A 14 8,-2.0 8,-3.1 -2,-0.3 2,-0.5 -0.971 25.5-128.4-155.2 164.0 4.4 -15.7 79.7 52 79 A V E - E 0 58A 84 -2,-0.3 6,-0.2 -17,-0.3 -17,-0.1 -0.962 19.0-136.1-123.1 123.3 7.7 -15.6 81.6 53 80 A K > - 0 0 79 4,-2.6 3,-1.8 -2,-0.5 -19,-0.0 -0.198 31.0-107.1 -64.1 161.6 10.9 -17.2 80.3 54 81 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.815 121.7 59.7 -65.8 -25.6 13.0 -19.3 82.7 55 82 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.1 22,-0.2 0.304 123.4-107.5 -81.5 13.3 15.6 -16.6 82.8 56 83 A K S < S+ 0 0 118 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.354 73.7 141.2 78.6 -4.4 12.8 -14.3 84.2 57 84 A S - 0 0 13 -5,-0.1 -4,-2.6 1,-0.1 2,-0.3 -0.478 50.3-124.8 -73.2 138.1 12.4 -12.2 80.9 58 85 A K E -E 52 0A 83 18,-0.9 17,-2.9 17,-0.4 2,-0.4 -0.643 18.3-157.7 -92.7 135.7 8.7 -11.4 80.2 59 86 A V E -EF 51 74A 8 -8,-3.1 -8,-2.0 -2,-0.3 2,-0.4 -0.912 8.8-173.9-109.3 135.5 7.0 -12.3 76.8 60 87 A K E -EF 50 73A 57 13,-2.4 13,-3.0 -2,-0.4 2,-0.5 -0.985 6.0-167.5-130.5 121.8 3.9 -10.4 75.7 61 88 A L E -EF 49 72A 1 -12,-3.3 -12,-2.6 -2,-0.4 2,-0.6 -0.946 5.9-167.9-109.7 123.1 1.8 -11.4 72.6 62 89 A T E -EF 48 71A 47 9,-2.6 9,-2.3 -2,-0.5 2,-0.5 -0.896 2.3-166.0-116.9 107.2 -0.7 -8.8 71.4 63 90 A I E -EF 47 70A 5 -16,-3.1 -16,-2.4 -2,-0.6 7,-0.2 -0.798 28.0-118.2 -92.7 126.0 -3.3 -9.9 68.8 64 91 A S > - 0 0 30 5,-2.5 3,-2.6 -2,-0.5 5,-0.1 -0.167 22.7-105.8 -67.9 155.5 -5.2 -7.0 67.2 65 92 A D T 3 S+ 0 0 116 1,-0.3 -19,-0.2 2,-0.1 -1,-0.1 0.898 122.5 39.8 -41.4 -54.1 -9.0 -6.4 67.5 66 93 A D T 3 S- 0 0 124 1,-0.1 -1,-0.3 -20,-0.0 -2,-0.1 0.242 112.1-116.3 -85.8 14.9 -9.6 -7.5 63.8 67 94 A L S < S+ 0 0 40 -3,-2.6 -2,-0.1 2,-0.1 3,-0.1 0.811 83.6 123.1 53.1 29.0 -7.0 -10.3 64.0 68 95 A G + 0 0 20 1,-0.2 22,-1.1 -61,-0.1 2,-0.3 0.481 67.8 26.5 -98.7 -0.4 -5.1 -8.3 61.4 69 96 A Q E - G 0 89A 80 20,-0.2 -5,-2.5 -5,-0.1 2,-0.4 -0.990 57.1-155.1-160.1 143.2 -1.8 -7.9 63.3 70 97 A T E -FG 63 88A 0 18,-2.1 18,-1.7 -2,-0.3 2,-0.6 -0.987 5.5-165.0-124.2 127.9 0.4 -9.6 66.0 71 98 A T E -FG 62 87A 26 -9,-2.3 -9,-2.6 -2,-0.4 2,-0.8 -0.922 6.2-168.9-108.5 111.6 2.9 -7.8 68.1 72 99 A L E -FG 61 86A 20 14,-2.8 14,-2.0 -2,-0.6 2,-0.3 -0.859 11.4-177.2-100.7 106.0 5.3 -10.2 69.9 73 100 A E E -FG 60 85A 30 -13,-3.0 -13,-2.4 -2,-0.8 2,-0.4 -0.755 14.6-166.2-102.0 147.9 7.3 -8.3 72.5 74 101 A V E -FG 59 84A 20 10,-2.1 9,-2.9 -2,-0.3 10,-1.6 -0.930 16.6-177.5-132.1 111.8 10.0 -9.7 74.7 75 102 A F E - G 0 82A 20 -17,-2.9 -17,-0.4 -2,-0.4 7,-0.2 -0.515 29.1 -98.3-100.6 170.9 11.0 -7.5 77.7 76 103 A K > - 0 0 61 5,-2.2 3,-2.5 -19,-0.2 -18,-0.9 -0.157 60.2 -75.0 -70.2 178.6 13.7 -7.8 80.5 77 104 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -20,-0.2 -2,-0.0 0.773 131.9 62.6 -47.6 -27.2 12.8 -9.1 84.0 78 105 A D T 3 S- 0 0 75 3,-0.1 -1,-0.3 1,-0.1 -21,-0.1 0.609 100.0-132.8 -81.4 -9.9 11.1 -5.7 84.7 79 106 A G S < S+ 0 0 23 -3,-2.5 -2,-0.1 2,-0.2 -1,-0.1 0.412 92.6 71.7 74.4 -5.6 8.5 -6.1 81.9 80 107 A K S S+ 0 0 177 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.740 73.8 75.8-110.7 -37.6 9.3 -2.5 80.7 81 108 A T S S- 0 0 36 -5,-0.0 -5,-2.2 1,-0.0 -2,-0.2 -0.701 80.0-135.5 -85.6 107.3 12.7 -2.6 79.0 82 109 A L E +G 75 0A 29 -2,-0.8 -7,-0.3 21,-0.3 3,-0.1 -0.203 27.6 177.7 -62.8 147.2 12.2 -4.2 75.5 83 110 A V E S- 0 0 61 -9,-2.9 16,-2.3 1,-0.5 2,-0.3 0.656 72.3 -10.1-112.7 -44.9 14.7 -6.8 74.2 84 111 A S E -GH 74 98A 40 -10,-1.6 -10,-2.1 14,-0.2 -1,-0.5 -0.972 56.3-164.9-147.8 164.2 13.0 -7.6 70.9 85 112 A K E -GH 73 97A 46 12,-1.7 12,-2.3 -2,-0.3 2,-0.4 -0.940 2.9-173.4-152.9 128.7 9.7 -6.8 69.1 86 113 A K E -GH 72 96A 71 -14,-2.0 -14,-2.8 -2,-0.3 2,-0.7 -0.963 1.6-173.2-126.4 117.8 8.1 -8.5 66.0 87 114 A V E -GH 71 95A 22 8,-1.9 8,-0.6 -2,-0.4 2,-0.4 -0.920 9.4-177.9-108.8 109.8 5.0 -7.1 64.3 88 115 A T E -GH 70 94A 10 -18,-1.7 -18,-2.1 -2,-0.7 6,-0.2 -0.885 9.8-155.3-104.1 139.6 3.7 -9.5 61.6 89 116 A S E > -G 69 0A 25 4,-2.4 3,-1.0 -2,-0.4 -80,-0.3 -0.474 30.4-101.2-106.5-178.4 0.7 -8.5 59.5 90 117 A K T 3 S+ 0 0 90 -22,-1.1 -21,-0.1 1,-0.2 -81,-0.1 0.899 118.9 58.4 -72.7 -39.3 -1.9 -10.6 57.6 91 118 A D T 3 S- 0 0 35 -23,-0.2 -1,-0.2 1,-0.1 715,-0.1 0.421 121.0-107.9 -71.9 5.7 -0.3 -9.9 54.1 92 119 A K S < S+ 0 0 89 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.392 75.4 139.0 84.6 -2.8 2.9 -11.5 55.5 93 120 A S - 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