==== 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 2FKG . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR K.MAKABE,V.TERECHKO,G.GAWLAK,S.YAN,S.KOIDE . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 69.8 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 . 165 52.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 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 1 8 8 5 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 0 0 0 0 0 0 1 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 0 169 0, 0.0 16,-1.8 0, 0.0 17,-0.6 0.000 360.0 360.0 360.0 -35.1 2.4 14.4 18.2 2 29 A S E -A 16 0A 43 14,-0.3 2,-0.4 15,-0.1 14,-0.2 -0.851 360.0-137.3-138.8 170.5 0.3 13.2 15.2 3 30 A V E -A 15 0A 72 12,-2.2 12,-2.5 -2,-0.3 2,-0.3 -0.999 24.3-129.0-134.6 134.4 -0.4 13.7 11.6 4 31 A S E -A 14 0A 75 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.647 21.4-166.9 -92.0 142.0 -3.9 13.7 10.0 5 32 A V E -A 13 0A 18 8,-2.7 8,-2.6 -2,-0.3 2,-0.3 -0.981 16.9-132.6-135.8 124.2 -4.8 11.6 6.9 6 33 A D E -A 12 0A 139 -2,-0.4 6,-0.2 6,-0.2 5,-0.0 -0.563 27.4-166.2 -73.7 131.7 -7.8 11.7 4.6 7 34 A L - 0 0 12 4,-2.7 3,-0.4 -2,-0.3 4,-0.4 -0.790 33.3 -97.7-120.7 155.8 -9.5 8.3 3.8 8 35 A P S S+ 0 0 11 0, 0.0 2,-1.8 0, 0.0 81,-0.2 0.805 109.4 63.1 -37.5 -50.1 -12.0 7.1 1.2 9 36 A G S S- 0 0 20 1,-0.2 3,-0.1 79,-0.2 81,-0.1 -0.210 121.0 -93.3 -85.4 52.8 -15.1 7.2 3.4 10 37 A E S S+ 0 0 182 -2,-1.8 -1,-0.2 -3,-0.4 2,-0.2 0.646 99.1 119.9 45.7 11.9 -15.3 11.0 4.1 11 38 A M - 0 0 26 -4,-0.4 -4,-2.7 18,-0.0 2,-0.3 -0.544 51.8-150.5-103.5 166.5 -13.3 9.8 7.2 12 39 A K E -A 6 0A 142 18,-0.3 2,-0.4 -6,-0.2 18,-0.2 -0.953 0.2-152.2-131.8 153.7 -9.9 10.6 8.5 13 40 A V E -A 5 0A 0 -8,-2.6 -8,-2.7 -2,-0.3 2,-0.4 -0.956 10.0-142.6-121.0 147.4 -7.2 8.9 10.5 14 41 A L E -AB 4 28A 68 14,-2.6 14,-2.3 -2,-0.4 2,-0.4 -0.946 18.1-166.4-106.8 140.6 -4.6 10.3 12.9 15 42 A V E -AB 3 27A 0 -12,-2.5 -12,-2.2 -2,-0.4 12,-0.2 -0.976 21.6-116.1-128.3 132.0 -1.2 8.7 12.9 16 43 A S E -A 2 0A 15 10,-2.1 -14,-0.3 -2,-0.4 4,-0.1 -0.347 8.7-148.5 -69.6 143.7 1.6 9.3 15.4 17 44 A K S S+ 0 0 154 -16,-1.8 2,-0.3 2,-0.1 -1,-0.1 0.720 84.0 59.6 -80.1 -25.1 4.9 10.8 14.2 18 45 A E S S- 0 0 156 -17,-0.6 8,-0.5 8,-0.0 2,-0.1 -0.767 88.8-115.3-105.8 151.9 6.8 8.8 16.8 19 46 A K - 0 0 123 -2,-0.3 6,-0.2 6,-0.1 5,-0.1 -0.489 36.4-127.7 -74.5 155.6 7.0 5.0 17.2 20 47 A N > - 0 0 41 4,-3.5 3,-2.0 -2,-0.1 -1,-0.1 -0.161 38.0 -71.4 -95.3-173.3 5.5 3.6 20.5 21 48 A K T 3 S+ 0 0 193 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.762 133.0 45.0 -43.5 -36.0 6.7 1.3 23.3 22 49 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.112 122.1 -99.5-103.0 17.9 6.5 -1.7 20.9 23 50 A G S < S+ 0 0 39 -3,-2.0 2,-0.1 1,-0.2 -2,-0.1 0.428 88.2 115.3 79.6 0.1 8.2 -0.1 17.8 24 51 A K - 0 0 75 -5,-0.1 -4,-3.5 1,-0.0 2,-0.4 -0.489 67.8-111.2-104.3 166.4 4.8 0.6 16.1 25 52 A Y E - C 0 40A 36 15,-3.1 15,-2.1 -6,-0.2 2,-0.2 -0.860 30.9-127.1-100.3 128.8 2.8 3.7 15.1 26 53 A D E - C 0 39A 84 -8,-0.5 -10,-2.1 -2,-0.4 2,-0.4 -0.503 24.3-163.2 -76.1 142.7 -0.4 4.5 17.0 27 54 A L E +BC 15 38A 3 11,-3.1 11,-2.2 -12,-0.2 2,-0.4 -0.993 10.6 175.9-128.9 138.1 -3.6 5.1 14.9 28 55 A I E +BC 14 37A 33 -14,-2.3 -14,-2.6 -2,-0.4 2,-0.3 -0.997 5.0 161.8-141.9 133.4 -6.9 6.7 16.0 29 56 A A E - C 0 36A 4 7,-2.1 7,-3.1 -2,-0.4 2,-0.4 -0.976 27.7-137.3-147.8 140.5 -10.1 7.5 14.1 30 57 A T E + C 0 35A 86 -2,-0.3 2,-0.4 5,-0.3 -18,-0.3 -0.815 21.5 178.5 -96.0 138.3 -13.6 8.3 15.1 31 58 A V E > S- C 0 34A 15 3,-2.9 3,-2.0 -2,-0.4 -2,-0.0 -0.983 70.9 -18.8-144.0 119.1 -16.4 6.7 13.1 32 59 A D T 3 S- 0 0 137 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.930 127.7 -48.8 33.0 70.7 -20.0 7.4 14.0 33 60 A K T 3 S+ 0 0 211 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.263 117.5 116.0 67.0 -16.0 -19.2 8.6 17.6 34 61 A L E < -C 31 0A 34 -3,-2.0 -3,-2.9 17,-0.0 2,-0.8 -0.764 60.3-143.5 -91.7 123.9 -17.1 5.5 18.0 35 62 A E E -C 30 0A 114 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.756 17.8-163.6 -82.3 109.3 -13.3 6.0 18.6 36 63 A L E -C 29 0A 0 -7,-3.1 -7,-2.1 -2,-0.8 2,-0.3 -0.722 6.8-165.7 -93.1 143.5 -11.4 3.1 16.9 37 64 A K E +CD 28 50A 139 13,-2.9 13,-3.0 -2,-0.3 2,-0.3 -0.950 18.0 137.3-132.7 151.1 -7.8 2.5 17.9 38 65 A G E -C 27 0A 19 -11,-2.2 -11,-3.1 -2,-0.3 2,-0.3 -0.964 34.4-122.3-169.1 178.5 -4.9 0.5 16.4 39 66 A T E -C 26 0A 63 9,-0.4 9,-0.4 -2,-0.3 2,-0.3 -0.982 18.4-167.8-136.7 154.3 -1.2 0.3 15.6 40 67 A S E -C 25 0A 12 -15,-2.1 -15,-3.1 -2,-0.3 7,-0.1 -0.991 33.0-134.2-138.3 146.2 0.7 -0.2 12.4 41 68 A D S S+ 0 0 123 -2,-0.3 2,-0.3 -17,-0.2 6,-0.1 0.610 97.4 67.1 -67.0 -12.9 4.3 -1.0 11.5 42 69 A K - 0 0 97 4,-0.2 -17,-0.2 -17,-0.1 -2,-0.2 -0.754 67.8-154.0-105.6 160.5 3.7 1.8 8.8 43 70 A N S S+ 0 0 94 -2,-0.3 -28,-0.1 1,-0.1 -1,-0.0 0.225 71.4 93.2-118.4 14.0 3.0 5.6 9.2 44 71 A N S S- 0 0 54 2,-0.1 -1,-0.1 21,-0.1 3,-0.1 0.562 106.7 -98.6 -82.5 -4.6 1.0 6.5 6.1 45 72 A G S S+ 0 0 0 1,-0.4 2,-0.2 -3,-0.2 -2,-0.1 0.515 83.6 127.8 102.6 9.7 -2.3 6.0 8.0 46 73 A S + 0 0 0 19,-0.2 -1,-0.4 16,-0.0 2,-0.3 -0.616 33.6 72.8 -98.4 161.1 -3.0 2.4 6.7 47 74 A G E S- E 0 63A 14 16,-2.0 16,-2.7 -2,-0.2 2,-0.4 -0.885 78.9 -53.6 134.6-173.1 -3.8 -0.5 9.0 48 75 A V E - E 0 62A 52 -9,-0.4 -9,-0.4 -2,-0.3 2,-0.4 -0.912 37.8-172.4-111.5 143.3 -6.5 -1.7 11.2 49 76 A L E - E 0 61A 0 12,-2.3 12,-3.3 -2,-0.4 2,-0.3 -0.973 10.2-163.6-128.7 141.5 -8.4 0.0 14.0 50 77 A E E +DE 37 60A 104 -13,-3.0 -13,-2.9 -2,-0.4 2,-0.3 -0.911 12.2 165.7-130.4 158.5 -10.8 -1.5 16.3 51 78 A G E - E 0 59A 14 8,-2.4 8,-2.4 -2,-0.3 2,-0.4 -0.930 26.3-131.4-155.4 170.2 -13.5 -0.6 18.8 52 79 A V E - E 0 58A 82 -2,-0.3 6,-0.2 -17,-0.2 -17,-0.1 -0.992 22.1-139.6-130.9 124.6 -16.4 -1.8 20.9 53 80 A K > - 0 0 94 4,-2.2 3,-1.7 -2,-0.4 6,-0.0 -0.244 35.3 -98.4 -68.9 173.0 -19.8 -0.0 20.9 54 81 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.858 125.3 54.8 -62.6 -37.5 -21.8 0.4 24.2 55 82 A D T 3 S- 0 0 102 1,-0.0 -1,-0.3 2,-0.0 22,-0.2 0.167 122.6-106.5 -80.9 7.6 -24.0 -2.7 23.3 56 83 A K S < S+ 0 0 110 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.0 0.282 70.5 143.2 91.3 -5.1 -20.8 -4.8 22.9 57 84 A S - 0 0 20 -5,-0.1 -4,-2.2 1,-0.1 2,-0.4 -0.336 47.8-125.3 -60.3 146.1 -20.6 -5.1 19.1 58 85 A K E -EF 52 75A 81 17,-2.1 17,-3.5 18,-0.4 2,-0.4 -0.840 19.3-160.5-103.7 135.9 -17.1 -5.0 17.7 59 86 A V E -EF 51 74A 6 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.4 -0.951 7.8-176.4-116.8 132.9 -16.1 -2.6 15.0 60 87 A K E -EF 50 73A 66 13,-2.3 13,-2.6 -2,-0.4 2,-0.5 -0.978 6.4-165.8-131.0 122.4 -13.0 -3.1 12.8 61 88 A L E -EF 49 72A 0 -12,-3.3 -12,-2.3 -2,-0.4 2,-0.5 -0.929 4.9-168.1-105.6 125.2 -11.7 -0.6 10.2 62 89 A T E -EF 48 71A 45 9,-2.4 9,-2.6 -2,-0.5 2,-0.5 -0.967 2.1-164.8-113.3 126.9 -9.1 -1.8 7.7 63 90 A I E -EF 47 70A 2 -16,-2.7 -16,-2.0 -2,-0.5 7,-0.2 -0.980 24.6-119.7-114.1 119.2 -7.4 0.8 5.6 64 91 A S > - 0 0 29 5,-2.2 3,-2.5 -2,-0.5 5,-0.1 -0.148 24.8-109.7 -59.9 151.6 -5.5 -0.5 2.5 65 92 A D T 3 S+ 0 0 109 1,-0.3 -19,-0.2 2,-0.1 -1,-0.1 0.726 120.8 45.4 -55.4 -27.2 -1.7 0.1 2.2 66 93 A D T 3 S- 0 0 118 3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.353 106.7-128.0 -98.6 -1.7 -2.3 2.6 -0.6 67 94 A L S < S+ 0 0 42 -3,-2.5 -2,-0.1 2,-0.2 3,-0.0 0.571 78.5 115.2 62.7 17.3 -5.1 4.3 1.2 68 95 A G S S+ 0 0 10 1,-0.1 22,-1.8 -61,-0.1 2,-0.3 0.456 74.7 36.3 -95.0 0.3 -7.4 4.0 -1.8 69 96 A Q E - G 0 89A 86 20,-0.2 -5,-2.2 -5,-0.1 2,-0.3 -0.995 59.5-166.3-150.1 148.4 -9.9 1.7 -0.0 70 97 A T E -FG 63 88A 2 18,-2.0 18,-2.4 -2,-0.3 2,-0.5 -0.985 5.4-160.0-132.1 140.8 -11.5 1.2 3.5 71 98 A T E -FG 62 87A 24 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.6 -0.966 5.6-168.8-120.7 116.3 -13.4 -1.8 4.9 72 99 A L E -FG 61 86A 22 14,-3.0 14,-2.6 -2,-0.5 2,-0.4 -0.912 10.1-175.4-105.5 122.1 -15.6 -1.2 7.9 73 100 A E E -FG 60 85A 32 -13,-2.6 -13,-2.3 -2,-0.6 2,-0.5 -0.954 13.0-160.2-120.9 131.1 -16.9 -4.4 9.6 74 101 A V E -FG 59 84A 14 10,-2.3 9,-3.5 -2,-0.4 10,-1.6 -0.947 16.0-178.0-109.9 125.7 -19.3 -4.6 12.4 75 102 A F E -FG 58 82A 33 -17,-3.5 -17,-2.1 -2,-0.5 7,-0.2 -0.832 28.5-107.0-113.1 159.3 -19.3 -7.9 14.3 76 103 A K > - 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I 0 105A 42 -16,-2.8 6,-0.2 -2,-0.3 2,-0.1 -0.838 10.1-126.9-127.6 155.3 -26.1 -10.1 7.3 100 127 A N > - 0 0 36 4,-2.0 3,-1.7 -2,-0.3 6,-0.0 -0.388 43.0 -88.1 -94.9-179.4 -28.5 -12.1 9.5 101 128 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.0 2,-0.1 -19,-0.0 0.857 131.2 51.6 -59.9 -36.9 -27.9 -14.2 12.7 102 129 A K T 3 S- 0 0 189 2,-0.1 -1,-0.3 -21,-0.0 -3,-0.0 0.620 120.3-114.0 -70.2 -16.8 -27.1 -17.2 10.4 103 130 A G < + 0 0 42 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.741 67.0 141.8 84.6 26.0 -24.7 -15.0 8.5 104 131 A E - 0 0 49 1,-0.1 -4,-2.0 20,-0.0 2,-0.5 -0.693 63.5 -96.9 -88.2 153.5 -26.5 -15.0 5.1 105 132 A L E +I 99 0A 48 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.576 49.3 165.1 -61.6 118.6 -26.6 -11.8 3.1 106 133 A S E + 0 0 35 -8,-2.5 16,-2.7 -2,-0.5 2,-0.3 0.764 65.1 20.5-105.5 -38.6 -29.9 -10.1 3.9 107 134 A E E -IJ 98 121A 53 -9,-1.5 -9,-2.4 14,-0.2 -1,-0.4 -0.976 61.8-179.9-131.7 142.3 -29.3 -6.6 2.5 108 135 A K E -IJ 97 120A 53 12,-2.1 12,-2.3 -2,-0.3 2,-0.4 -0.986 2.4-175.3-142.3 137.0 -26.8 -5.3 -0.2 109 136 A K E -IJ 96 119A 63 -13,-2.4 -13,-2.2 -2,-0.3 2,-0.5 -0.946 8.1-164.6-140.7 116.9 -26.3 -1.8 -1.5 110 137 A I E -IJ 95 118A 43 8,-2.1 8,-1.9 -2,-0.4 2,-0.5 -0.861 8.9-165.1 -91.6 126.3 -24.0 -0.6 -4.3 111 138 A T E -IJ 94 117A 27 -17,-2.5 -17,-2.7 -2,-0.5 6,-0.2 -0.970 10.3-145.7-111.8 124.4 -23.4 3.1 -4.5 112 139 A R > - 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