==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 05-FEB-13 4J38 . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR A.BHATTACHARJEE,R.KOLODZIEJCZYK,T.KAJANDER,A.GOLDMAN,T.S.JOK . 255 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 34.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.8 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 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 7 1 1 1 3 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 . 6 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 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 40 A E 0 0 239 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.5 -19.1 52.3 -14.1 2 41 A F - 0 0 109 1,-0.1 2,-0.3 26,-0.1 27,-0.1 -0.644 360.0-105.0 -89.4 143.6 -18.8 48.6 -12.9 3 42 A S + 0 0 102 -2,-0.3 25,-2.4 24,-0.1 2,-0.3 -0.504 47.4 173.6 -62.3 120.4 -20.3 47.1 -9.7 4 43 A K E +A 27 0A 64 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.934 6.1 159.2-124.8 147.3 -17.4 46.6 -7.2 5 44 A F E -A 26 0A 33 21,-1.9 21,-3.0 -2,-0.3 2,-0.3 -0.949 22.9-143.1-160.2 159.6 -17.5 45.5 -3.7 6 45 A T E -A 25 0A 73 -2,-0.3 2,-0.3 19,-0.2 19,-0.3 -0.949 14.6-176.9-128.4 153.2 -15.2 44.0 -1.1 7 46 A V E -A 24 0A 1 17,-2.8 17,-4.1 -2,-0.3 2,-0.2 -0.903 28.1-102.8-141.9 159.5 -15.7 41.5 1.6 8 47 A K E -A 23 0A 122 -2,-0.3 115,-0.5 15,-0.2 2,-0.3 -0.590 37.2-168.3 -89.9 151.0 -13.6 39.9 4.4 9 48 A I E -AB 22 122A 4 13,-2.7 12,-2.5 -2,-0.2 13,-1.8 -0.985 11.7-157.3-146.3 150.9 -12.2 36.4 4.3 10 49 A K E -AB 20 121A 19 111,-2.6 111,-2.1 -2,-0.3 2,-0.4 -0.913 1.2-161.7-124.1 149.4 -10.6 33.6 6.2 11 50 A N E - B 0 120A 30 8,-1.6 8,-0.4 -2,-0.3 109,-0.2 -0.967 31.9-112.1-118.6 145.0 -8.4 30.5 5.6 12 51 A K - 0 0 27 107,-0.8 107,-0.4 -2,-0.4 6,-0.3 -0.524 46.4-132.8 -65.1 146.1 -7.9 27.6 7.9 13 52 A D > - 0 0 61 4,-3.2 3,-2.8 -2,-0.1 -1,-0.1 -0.184 33.5 -69.9 -98.3-170.7 -4.3 27.8 9.0 14 53 A K T 3 S+ 0 0 108 1,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.700 135.3 47.4 -58.7 -20.8 -1.3 25.4 9.3 15 54 A S T 3 S- 0 0 80 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.032 123.3-103.0-107.5 25.3 -3.1 23.7 12.2 16 55 A G S < S+ 0 0 45 -3,-2.8 2,-0.3 1,-0.2 -2,-0.2 0.734 80.7 132.5 65.2 22.7 -6.5 23.5 10.4 17 56 A N - 0 0 92 -6,-0.1 -4,-3.2 1,-0.1 -1,-0.2 -0.763 60.2-105.7-105.4 153.6 -7.9 26.4 12.4 18 57 A W + 0 0 92 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.2 -0.387 41.7 174.3 -78.8 154.5 -9.8 29.4 11.0 19 58 A T - 0 0 60 -8,-0.4 -8,-1.6 -2,-0.1 -10,-0.0 -0.921 40.9 -98.6-163.5 133.3 -8.1 32.8 10.8 20 59 A D E +A 10 0A 135 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.299 41.4 174.3 -47.9 123.7 -8.7 36.2 9.6 21 60 A L E - 0 0 26 -12,-2.5 2,-0.3 1,-0.3 -11,-0.2 0.798 39.9-106.5-105.6 -52.3 -6.8 36.3 6.2 22 61 A G E -A 9 0A 21 -13,-1.8 -13,-2.7 17,-0.1 2,-0.4 -0.962 55.0 -16.3 164.3-138.5 -7.8 39.7 4.8 23 62 A D E -AC 8 38A 66 15,-3.5 15,-2.6 -2,-0.3 2,-0.6 -0.824 36.0-157.6-102.9 137.3 -9.9 41.2 2.1 24 63 A L E -AC 7 37A 6 -17,-4.1 -17,-2.8 -2,-0.4 2,-0.4 -0.945 15.3-158.7-105.8 110.6 -11.6 39.7 -0.9 25 64 A V E -AC 6 36A 5 11,-3.2 11,-3.0 -2,-0.6 2,-0.5 -0.735 3.7-162.1 -85.5 134.9 -12.3 42.3 -3.5 26 65 A V E -AC 5 35A 10 -21,-3.0 -21,-1.9 -2,-0.4 2,-0.4 -0.949 10.2-178.1-125.7 108.0 -14.9 41.3 -5.9 27 66 A R E -AC 4 34A 71 7,-2.7 7,-2.4 -2,-0.5 2,-0.4 -0.911 22.7-135.2-111.8 129.7 -15.1 43.3 -9.2 28 67 A K E - C 0 33A 59 -25,-2.4 2,-0.3 -2,-0.4 5,-0.2 -0.680 30.0-170.5 -79.0 132.9 -17.6 42.9 -12.0 29 68 A E E > - C 0 32A 50 3,-3.7 3,-0.8 -2,-0.4 -26,-0.1 -0.760 40.0-104.8-116.3 165.0 -15.9 42.9 -15.4 30 69 A E T 3 S+ 0 0 152 1,-0.3 2,-0.7 -2,-0.3 -1,-0.1 0.898 124.6 42.9 -52.7 -43.4 -17.1 43.0 -19.0 31 70 A N T 3 S- 0 0 74 19,-0.1 2,-0.4 1,-0.1 -1,-0.3 -0.599 130.0 -78.2-105.5 75.3 -16.2 39.4 -19.1 32 71 A G E < S-C 29 0A 0 -3,-0.8 -3,-3.7 -2,-0.7 2,-0.4 -0.588 79.0 -28.4 83.5-129.9 -17.5 38.1 -15.8 33 72 A I E -CD 28 49A 9 16,-2.2 16,-2.7 -2,-0.4 2,-0.5 -0.981 34.6-162.8-139.7 142.7 -15.8 38.6 -12.5 34 73 A D E -CD 27 48A 33 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.4 -0.982 12.9-162.5-118.8 130.1 -12.4 39.1 -11.1 35 74 A T E -CD 26 47A 0 12,-3.3 11,-3.4 -2,-0.5 12,-1.1 -0.938 6.9-163.5-114.2 139.3 -11.8 38.6 -7.4 36 75 A G E -CD 25 45A 0 -11,-3.0 -11,-3.2 -2,-0.4 2,-0.7 -0.933 11.2-140.2-123.9 142.3 -8.7 39.9 -5.7 37 76 A L E -CD 24 44A 0 7,-2.9 7,-1.1 -2,-0.4 2,-0.7 -0.903 11.6-171.2-108.3 113.7 -7.2 39.0 -2.4 38 77 A N E +CD 23 43A 22 -15,-2.6 -15,-3.5 -2,-0.7 5,-0.2 -0.914 26.5 146.2 -98.3 113.3 -5.7 41.8 -0.3 39 78 A A E > - D 0 42A 6 3,-3.2 3,-0.5 -2,-0.7 2,-0.4 -0.598 68.7 -58.9-152.4 78.6 -3.9 40.1 2.6 40 79 A G T 3 S- 0 0 54 1,-0.2 -1,-0.1 -2,-0.1 179,-0.1 -0.695 121.4 -8.9 85.9-129.4 -0.8 41.9 3.8 41 80 A G T 3 S+ 0 0 7 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.2 0.208 120.3 92.2 -87.0 13.9 1.8 42.4 1.1 42 81 A H E < +D 39 0A 0 -3,-0.5 -3,-3.2 177,-0.1 2,-0.3 -0.951 40.6 151.7-112.4 117.3 -0.3 40.1 -1.1 43 82 A S E +De 38 225A 0 181,-1.7 183,-2.0 -2,-0.6 2,-0.3 -0.833 29.3 113.1-147.0 102.8 -2.8 41.9 -3.4 44 83 A A E S-D 37 0A 0 -7,-1.1 -7,-2.9 -2,-0.3 180,-0.1 -0.960 72.9 -56.8-169.1 160.7 -3.4 40.0 -6.6 45 84 A T E -D 36 0A 7 -2,-0.3 -9,-0.3 -9,-0.3 3,-0.1 -0.278 38.8-172.7 -58.7 133.8 -6.1 38.1 -8.4 46 85 A F E - 0 0 0 -11,-3.4 27,-3.0 1,-0.5 28,-2.0 0.895 65.2 -37.7 -90.0 -57.3 -7.4 35.4 -6.2 47 86 A F E -DF 35 72A 3 -12,-1.1 -12,-3.3 25,-0.2 -1,-0.5 -0.967 57.6-161.0-157.6 170.6 -9.6 33.9 -8.9 48 87 A S E -DF 34 71A 11 23,-2.3 22,-1.8 -2,-0.3 23,-0.6 -0.953 2.1-157.5-151.7 170.8 -11.9 34.9 -11.7 49 88 A L E -D 33 0A 2 -16,-2.7 -16,-2.2 -2,-0.3 20,-0.1 -0.989 21.0-102.4-155.6 161.2 -14.7 33.7 -14.0 50 89 A E >> - 0 0 37 -2,-0.3 3,-1.1 18,-0.3 4,-1.0 -0.391 36.5-107.7 -85.7 156.5 -16.5 34.1 -17.3 51 90 A E H >> S+ 0 0 78 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.889 115.9 64.6 -46.4 -46.4 -19.8 35.8 -18.0 52 91 A E H 34 S+ 0 0 146 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.883 108.8 38.6 -43.9 -46.5 -21.4 32.4 -18.7 53 92 A V H <> S+ 0 0 29 -3,-1.1 4,-2.9 1,-0.2 -1,-0.3 0.588 88.3 94.3 -90.2 -9.4 -20.8 31.4 -15.1 54 93 A V H > S+ 0 0 86 -4,-0.4 4,-3.1 2,-0.2 3,-0.9 0.967 112.0 50.0 -49.8 -57.4 -24.3 30.5 -11.3 57 96 A F H 3X S+ 0 0 6 -4,-2.9 4,-3.6 1,-0.3 5,-0.3 0.941 104.8 55.4 -45.6 -63.3 -21.7 32.2 -9.1 58 97 A V H 3< S+ 0 0 50 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.796 115.6 40.6 -43.0 -35.6 -24.0 34.8 -7.7 59 98 A K H XX S+ 0 0 51 -4,-1.5 3,-2.5 -3,-0.9 4,-1.0 0.963 115.6 48.3 -77.8 -58.9 -26.3 31.9 -6.6 60 99 A V H >X S+ 0 0 5 -4,-3.1 4,-3.1 1,-0.3 3,-1.1 0.885 106.8 57.2 -45.7 -49.7 -23.6 29.6 -5.4 61 100 A M H 3< S+ 0 0 7 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.1 0.444 117.1 35.2 -69.3 -0.5 -21.9 32.3 -3.4 62 101 A T H <4 S+ 0 0 15 -3,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.341 136.3 17.3-133.4 2.9 -25.1 32.9 -1.5 63 102 A E H << S- 0 0 125 -3,-1.1 -3,-0.2 -4,-1.0 31,-0.2 0.274 103.8-113.2-152.3 11.8 -26.5 29.4 -1.2 64 103 A G < + 0 0 15 -4,-3.1 2,-0.3 -5,-0.3 29,-0.2 0.114 61.1 118.1 71.7 169.9 -23.6 27.0 -1.9 65 104 A G E -G 92 0A 35 27,-2.2 27,-2.8 -4,-0.1 2,-0.3 -0.906 61.1 -70.4 126.7-157.6 -23.2 24.7 -4.8 66 105 A S E +G 91 0A 54 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.904 35.0 177.7-138.0 164.5 -20.4 24.9 -7.4 67 106 A F E -G 90 0A 5 23,-1.0 23,-0.7 -2,-0.3 2,-0.3 -0.957 30.5-112.8-162.1 145.8 -19.0 26.9 -10.4 68 107 A K E -G 89 0A 112 -2,-0.3 2,-0.4 21,-0.2 -18,-0.3 -0.585 26.5-140.3 -86.2 140.7 -16.0 26.7 -12.7 69 108 A T - 0 0 2 19,-2.2 18,-1.3 -2,-0.3 -20,-0.3 -0.791 8.5-148.9 -97.5 141.9 -13.3 29.4 -12.6 70 109 A S S S+ 0 0 39 -22,-1.8 17,-1.1 -2,-0.4 2,-0.4 0.993 92.3 7.5 -67.1 -59.5 -11.6 30.8 -15.6 71 110 A L E -FH 48 86A 42 -23,-0.6 -23,-2.3 15,-0.2 2,-0.5 -0.983 68.7-168.8-122.0 129.5 -8.4 31.3 -13.6 72 111 A Y E +FH 47 85A 0 13,-2.7 13,-1.7 -2,-0.4 -25,-0.2 -0.972 19.8 154.5-115.7 124.7 -7.7 30.2 -10.0 73 112 A Y - 0 0 32 -27,-3.0 2,-0.2 -2,-0.5 11,-0.2 0.789 21.6-178.4-106.5 -53.0 -4.6 31.4 -8.1 74 113 A G - 0 0 0 -28,-2.0 2,-0.3 7,-0.1 -37,-0.1 -0.579 37.4 -46.6 80.9-145.5 -5.5 31.2 -4.5 75 114 A Y > - 0 0 37 -2,-0.2 3,-2.7 33,-0.1 6,-0.2 -0.847 68.4 -67.7-137.8 165.0 -3.1 32.3 -1.8 76 115 A K T 3 S+ 0 0 42 1,-0.3 6,-0.1 -2,-0.3 5,-0.0 0.380 122.0 38.5 -44.0 -19.7 0.6 32.0 -0.9 77 116 A E T 3 S+ 0 0 52 -2,-0.2 34,-1.7 4,-0.0 -1,-0.3 0.685 91.1 104.3-101.0 -10.8 1.0 28.3 0.1 78 117 A E B X S-L 110 0B 4 -3,-2.7 3,-1.4 32,-0.2 4,-0.3 -0.301 73.9-130.7 -66.0 145.1 -1.3 26.8 -2.6 79 118 A Q G > S+ 0 0 110 30,-2.2 3,-0.7 1,-0.3 4,-0.4 0.909 106.9 57.6 -62.8 -39.5 0.3 25.2 -5.6 80 119 A S G 3> S+ 0 0 2 29,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.436 83.9 90.3 -67.9 -1.1 -1.9 27.2 -7.9 81 120 A V G <4 S+ 0 0 7 -3,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 0.879 85.5 38.8 -75.8 -38.6 -0.7 30.6 -6.6 82 121 A I T <4 S+ 0 0 79 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.931 132.3 17.7 -79.9 -44.0 2.3 31.6 -8.7 83 122 A N T 4 S- 0 0 147 -4,-0.4 -2,-0.1 -10,-0.1 -3,-0.1 0.732 99.5-130.9 -96.6 -32.2 1.2 30.4 -12.2 84 123 A G < - 0 0 15 -4,-1.0 2,-0.3 -5,-0.2 -11,-0.2 0.001 13.2-121.5 89.0 157.8 -2.6 30.0 -11.9 85 124 A I E -H 72 0A 56 -13,-1.7 -13,-2.7 -5,-0.1 3,-0.4 -0.988 20.0-120.9-138.5 152.5 -4.7 27.0 -12.9 86 125 A Q E S-H 71 0A 147 -2,-0.3 -15,-0.2 1,-0.2 -16,-0.2 -0.699 76.3 -1.0-105.0 144.0 -7.6 26.7 -15.3 87 126 A N S S+ 0 0 97 -18,-1.3 2,-0.3 -17,-1.1 -1,-0.2 0.706 73.5 171.3 64.7 22.7 -11.2 25.5 -15.0 88 127 A K - 0 0 49 -3,-0.4 -19,-2.2 -19,-0.3 -1,-0.2 -0.496 28.8-134.5 -63.3 123.2 -10.8 24.7 -11.3 89 128 A E E -G 68 0A 73 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.324 16.0-152.8 -67.4 164.2 -14.2 23.9 -10.0 90 129 A I E -G 67 0A 1 -23,-0.7 -23,-1.0 2,-0.0 2,-0.7 -0.857 5.7-163.1-145.6 112.2 -15.1 25.5 -6.7 91 130 A I E -G 66 0A 115 -2,-0.3 15,-0.6 -25,-0.2 2,-0.4 -0.839 6.0-163.2-102.1 118.9 -17.6 24.0 -4.3 92 131 A T E -GI 65 105A 4 -27,-2.8 -27,-2.2 -2,-0.7 2,-0.4 -0.826 5.2-172.7 -97.5 133.0 -19.1 26.2 -1.6 93 132 A K E - I 0 104A 49 11,-2.3 11,-2.9 -2,-0.4 2,-0.5 -0.928 25.9-124.2-115.9 147.1 -20.8 24.8 1.4 94 133 A I E + I 0 103A 89 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.830 40.9 170.9 -86.7 126.2 -22.7 26.8 4.0 95 134 A E E - 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