==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 14-OCT-09 3K8J . COMPND 2 MOLECULE: 30KLP; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM; . AUTHOR G.ZHU,A.LUTHRA,D.DESROSIERS,M.KOSZELAK-ROSENBLUM,V.MULAY,J.D . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 73.6 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 . 77 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 2 3 1 0 1 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 . 0 0 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 31 A K 0 0 207 0, 0.0 3,-0.4 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0-160.1 28.6 48.5 31.6 2 32 A A + 0 0 106 1,-0.3 2,-0.7 0, 0.0 0, 0.0 0.989 360.0 22.6 -59.2 -62.1 24.9 49.0 30.9 3 33 A S S S+ 0 0 109 2,-0.1 2,-0.7 0, 0.0 -1,-0.3 -0.777 70.8 165.8-116.7 87.0 24.6 46.4 28.1 4 34 A V - 0 0 34 -2,-0.7 3,-0.1 -3,-0.4 128,-0.1 -0.911 19.7-160.5-100.1 113.7 27.3 43.7 28.3 5 35 A D >> - 0 0 77 -2,-0.7 4,-0.9 1,-0.1 3,-0.8 -0.843 6.5-155.4 -88.7 106.4 26.4 40.7 26.1 6 36 A P H >> S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.813 92.8 54.2 -54.7 -35.0 28.6 37.9 27.5 7 37 A L H 3> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 129,-0.1 0.858 104.2 55.8 -66.9 -36.0 28.5 35.9 24.2 8 38 A G H <4 S+ 0 0 0 -3,-0.8 128,-2.5 1,-0.2 -1,-0.2 0.717 108.8 49.7 -61.7 -23.8 29.8 39.1 22.4 9 39 A V H << S+ 0 0 1 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.895 105.2 51.8 -86.9 -43.0 32.7 39.0 24.9 10 40 A V H < S- 0 0 0 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.843 115.4-123.4 -63.4 -30.9 33.9 35.4 24.5 11 41 A G < - 0 0 0 -4,-1.5 3,-0.4 -5,-0.2 2,-0.1 -0.019 12.5 -85.1 110.5 154.4 33.9 36.0 20.8 12 42 A S S S+ 0 0 51 -4,-0.2 43,-0.0 1,-0.2 -4,-0.0 -0.464 95.5 50.8 -87.2 163.2 32.5 34.8 17.5 13 43 A G S S+ 0 0 53 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.474 71.9 149.5 92.7 5.2 34.0 32.0 15.4 14 44 A A - 0 0 1 -3,-0.4 -1,-0.2 1,-0.1 43,-0.2 -0.311 48.2-141.6 -73.7 155.7 34.2 29.4 18.1 15 45 A D S S+ 0 0 65 41,-2.4 147,-2.8 1,-0.3 148,-0.5 0.710 89.3 25.1 -83.6 -25.3 33.9 25.6 17.5 16 46 A V E -AB 56 161A 32 40,-1.2 40,-2.2 145,-0.2 2,-0.4 -0.995 65.1-163.8-142.0 133.7 31.9 25.1 20.8 17 47 A Y E -AB 55 160A 1 143,-2.8 143,-2.6 -2,-0.3 2,-0.4 -0.956 11.0-167.5-116.3 142.4 29.7 27.4 22.8 18 48 A L E -AB 54 159A 46 36,-2.9 36,-2.6 -2,-0.4 2,-0.4 -0.977 15.0-171.9-129.4 140.5 28.7 26.7 26.4 19 49 A Y E +AB 53 158A 1 139,-2.5 139,-2.4 -2,-0.4 34,-0.2 -0.994 14.3 175.5-126.3 123.1 26.1 28.2 28.7 20 50 A F E -A 52 0A 35 32,-2.7 32,-2.1 -2,-0.4 2,-0.3 -0.866 11.0-165.7-134.4 98.2 26.4 26.8 32.3 21 51 A P E -A 51 0A 4 0, 0.0 30,-0.3 0, 0.0 29,-0.1 -0.662 13.4-147.2 -82.8 140.4 24.1 28.3 35.0 22 52 A V S > S+ 0 0 14 28,-2.4 3,-2.3 -2,-0.3 4,-0.3 0.921 71.8 88.5 -74.3 -44.5 25.1 27.4 38.6 23 53 A A T 3 S+ 0 0 47 27,-0.6 129,-0.1 1,-0.3 27,-0.0 -0.301 100.4 15.6 -61.7 131.3 21.7 27.3 40.2 24 54 A G T 3 S+ 0 0 23 165,-0.1 -1,-0.3 132,-0.0 166,-0.2 0.347 120.2 70.0 86.3 -5.6 20.1 23.8 40.0 25 55 A N <> + 0 0 0 -3,-2.3 4,-2.7 2,-0.1 3,-0.2 0.193 58.6 109.1-125.9 11.7 23.6 22.3 39.0 26 56 A E H > S+ 0 0 93 -4,-0.3 4,-3.2 1,-0.2 5,-0.1 0.907 79.5 52.1 -55.5 -46.0 25.4 22.7 42.4 27 57 A N H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.842 110.6 47.8 -65.2 -32.7 25.4 18.9 43.0 28 58 A L H > S+ 0 0 4 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.952 112.2 49.1 -68.7 -50.4 26.9 18.2 39.5 29 59 A I H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.935 108.4 54.9 -49.6 -51.7 29.6 20.9 40.1 30 60 A S H < S+ 0 0 42 -4,-3.2 4,-0.4 1,-0.2 -1,-0.2 0.904 107.7 49.8 -47.6 -48.4 30.2 19.2 43.5 31 61 A R H >< S+ 0 0 67 -4,-1.7 3,-0.6 1,-0.2 4,-0.2 0.860 110.9 48.9 -60.0 -40.3 30.8 15.9 41.7 32 62 A I H >< S+ 0 0 51 -4,-2.1 3,-0.5 -3,-0.3 -1,-0.2 0.847 114.8 44.1 -70.7 -34.0 33.2 17.5 39.2 33 63 A I T 3< S+ 0 0 29 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.246 83.2 90.9-102.6 13.1 35.3 19.3 41.9 34 64 A E T < S+ 0 0 124 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.2 0.719 84.7 63.8 -69.0 -21.9 35.5 16.4 44.4 35 65 A N S < S+ 0 0 145 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.2 -0.423 89.4 76.6-104.6 55.1 38.7 15.6 42.5 36 66 A H > - 0 0 107 -3,-0.5 3,-0.9 -2,-0.4 -3,-0.0 -0.961 67.8-136.7-157.6 147.8 40.9 18.7 43.1 37 67 A E T 3 S+ 0 0 195 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.814 106.3 57.5 -69.1 -32.7 43.1 20.1 46.0 38 68 A S T >> + 0 0 58 1,-0.2 4,-2.3 2,-0.1 3,-0.8 0.119 69.7 120.9 -85.7 21.5 41.7 23.6 45.4 39 69 A K H <> + 0 0 114 -3,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.746 68.4 57.1 -61.6 -28.0 38.1 22.4 46.0 40 70 A A H 3> S+ 0 0 58 -3,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.865 112.1 41.1 -68.7 -38.7 37.6 24.8 48.9 41 71 A D H <> S+ 0 0 25 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.860 113.5 51.5 -79.0 -40.6 38.4 27.8 46.8 42 72 A I H X S+ 0 0 50 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.928 108.1 54.0 -59.6 -46.9 36.5 26.7 43.7 43 73 A K H X S+ 0 0 112 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.896 108.2 49.6 -52.1 -46.0 33.4 26.1 45.9 44 74 A K H < S+ 0 0 61 -4,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.832 110.4 49.9 -64.2 -34.4 33.7 29.7 47.2 45 75 A I H >< S+ 0 0 63 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.918 110.5 50.7 -68.9 -44.0 34.0 31.0 43.6 46 76 A V H >< S+ 0 0 27 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.874 104.1 57.3 -56.3 -45.1 30.8 28.9 42.7 47 77 A D T 3< S+ 0 0 123 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.666 112.6 43.3 -60.3 -19.1 29.0 30.4 45.6 48 78 A R T < S+ 0 0 90 -3,-1.0 22,-2.4 -4,-0.4 2,-0.4 0.232 100.6 88.1-110.1 10.9 29.7 33.8 44.0 49 79 A T E < + C 0 69A 16 -3,-1.8 20,-0.3 20,-0.2 3,-0.1 -0.945 42.4 178.5-119.3 132.2 28.9 32.8 40.4 50 80 A T E S- 0 0 64 18,-2.7 -28,-2.4 -2,-0.4 -27,-0.6 0.859 71.6 -11.5 -91.8 -47.1 25.5 32.9 38.7 51 81 A A E -AC 21 68A 1 17,-1.6 17,-2.9 -30,-0.3 2,-0.4 -0.993 52.6-144.0-156.6 154.2 26.4 31.7 35.2 52 82 A V E -AC 20 67A 37 -32,-2.1 -32,-2.7 -2,-0.3 2,-0.5 -0.970 8.8-161.9-121.9 130.4 29.4 30.9 33.0 53 83 A Y E -AC 19 66A 8 13,-2.8 13,-2.9 -2,-0.4 2,-0.3 -0.966 20.9-174.3-111.3 128.6 29.5 31.6 29.2 54 84 A G E -AC 18 65A 3 -36,-2.6 -36,-2.9 -2,-0.5 2,-0.4 -0.935 18.7-173.7-130.4 149.4 32.2 29.6 27.4 55 85 A A E -AC 17 64A 4 9,-2.1 9,-2.7 -2,-0.3 2,-0.4 -0.994 10.3-155.7-140.9 131.2 33.7 29.3 23.9 56 86 A F E -AC 16 63A 60 -40,-2.2 -41,-2.4 -2,-0.4 -40,-1.2 -0.940 4.1-162.7-107.3 132.8 36.4 26.8 22.6 57 87 A F E >> - C 0 62A 18 5,-3.2 5,-1.8 -2,-0.4 4,-0.5 -0.961 4.1-168.9-115.2 110.9 38.6 27.7 19.6 58 88 A A T >45S+ 0 0 47 -2,-0.5 3,-0.6 3,-0.2 -1,-0.1 0.898 83.1 57.7 -66.2 -41.3 40.3 24.6 18.1 59 89 A R T 345S+ 0 0 245 1,-0.3 -1,-0.2 2,-0.1 62,-0.0 0.860 119.3 28.9 -59.9 -42.0 42.7 26.7 15.8 60 90 A S T 345S- 0 0 25 2,-0.1 61,-0.3 -3,-0.0 59,-0.3 0.368 105.6-127.4-100.6 3.2 44.3 28.6 18.7 61 91 A K T <<5 + 0 0 139 -3,-0.6 58,-2.6 -4,-0.5 2,-0.3 0.935 63.3 127.8 49.9 61.9 43.7 25.7 21.2 62 92 A E E < -CD 57 118A 4 -5,-1.8 -5,-3.2 56,-0.2 2,-0.4 -0.973 50.9-147.7-148.2 155.2 42.0 28.0 23.8 63 93 A F E -CD 56 117A 74 54,-2.5 54,-2.5 -2,-0.3 2,-0.4 -0.978 13.5-163.5-122.4 133.7 38.9 28.4 25.9 64 94 A R E -CD 55 116A 21 -9,-2.7 -9,-2.1 -2,-0.4 2,-0.4 -0.985 10.0-171.2-119.8 132.3 37.4 31.8 26.8 65 95 A L E -CD 54 115A 45 50,-3.3 50,-2.7 -2,-0.4 2,-0.5 -0.968 16.3-161.1-124.8 143.2 35.0 32.2 29.7 66 96 A F E -CD 53 114A 5 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.6 -0.986 16.0-161.3-116.4 124.9 32.8 35.0 30.9 67 97 A G E -CD 52 113A 7 46,-3.1 46,-2.2 -2,-0.5 2,-0.5 -0.942 4.6-158.0-113.0 123.4 31.6 34.6 34.4 68 98 A S E +CD 51 112A 18 -17,-2.9 -18,-2.7 -2,-0.6 -17,-1.6 -0.882 50.1 85.9 -98.4 127.2 28.7 36.5 35.7 69 99 A G E S-C 49 0A 12 42,-2.5 2,-0.4 -2,-0.5 -20,-0.2 -0.816 81.4 -56.8-178.5-141.3 28.7 36.8 39.5 70 100 A S + 0 0 48 -22,-2.4 41,-0.2 -2,-0.2 -2,-0.1 -0.920 46.0 163.3-140.2 109.1 30.0 38.9 42.4 71 101 A Y - 0 0 15 39,-3.8 41,-0.1 -2,-0.4 40,-0.1 -0.584 12.6-176.9-130.0 66.3 33.8 39.3 42.7 72 102 A P >> - 0 0 46 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.288 41.1-107.5 -63.4 154.0 34.7 42.2 45.0 73 103 A Y H 3> S+ 0 0 132 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.852 117.1 58.4 -53.8 -40.8 38.5 42.9 45.3 74 104 A A H 3> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 109.6 45.3 -56.8 -43.9 38.7 41.5 48.9 75 105 A F H <> S+ 0 0 23 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.921 114.7 44.4 -66.7 -47.3 37.5 38.2 47.7 76 106 A T H X S+ 0 0 17 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.928 113.7 51.1 -68.8 -40.7 39.7 37.9 44.6 77 107 A N H X S+ 0 0 72 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.876 109.3 52.4 -58.5 -40.2 42.7 39.1 46.5 78 108 A L H X S+ 0 0 65 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.933 112.2 43.8 -59.8 -50.4 41.9 36.4 49.2 79 109 A I H >< S+ 0 0 27 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.947 115.8 49.4 -60.2 -48.1 41.8 33.6 46.5 80 110 A F H >< S+ 0 0 48 -4,-3.2 3,-1.9 1,-0.2 -2,-0.2 0.917 106.4 54.6 -56.5 -47.2 44.9 35.0 44.9 81 111 A S H 3< S+ 0 0 83 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.1 49.2 -56.2 -31.8 46.9 35.2 48.2 82 112 A R T << S+ 0 0 126 -4,-1.3 2,-0.3 -3,-0.5 -1,-0.3 0.290 95.5 97.1 -91.6 5.1 46.1 31.5 48.7 83 113 A S < - 0 0 35 -3,-1.9 2,-0.4 -4,-0.2 3,-0.3 -0.735 62.6-138.1-105.6 148.1 47.2 30.3 45.3 84 114 A D S S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.849 83.9 14.4 -98.6 136.1 50.4 28.7 44.0 85 115 A G S S+ 0 0 69 -2,-0.4 2,-0.4 1,-0.3 16,-0.2 0.564 92.6 123.8 84.8 10.8 51.9 29.8 40.6 86 116 A W - 0 0 83 -3,-0.3 2,-0.3 -6,-0.2 -1,-0.3 -0.836 34.1-177.7-107.6 144.1 49.8 32.9 40.1 87 117 A A E -E 99 0A 54 12,-2.1 12,-2.7 -2,-0.4 2,-0.3 -0.903 7.2-157.9-132.7 160.4 51.1 36.5 39.5 88 118 A S E -E 98 0A 55 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.978 8.7-172.1-143.8 150.1 49.2 39.8 39.1 89 119 A T E -E 97 0A 80 8,-1.7 8,-2.4 -2,-0.3 2,-0.5 -0.992 22.8-131.5-141.2 137.6 49.8 43.2 37.6 90 120 A K E -E 96 0A 152 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.821 28.1-140.3 -91.4 126.5 47.7 46.3 37.9 91 121 A T > - 0 0 45 4,-2.6 3,-1.9 -2,-0.5 -1,-0.0 -0.112 35.3 -81.7 -72.6 177.0 47.0 48.0 34.5 92 122 A E T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.843 129.9 43.8 -41.4 -47.4 46.9 51.7 33.6 93 123 A H T 3 S- 0 0 149 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.129 122.2 -97.7 -98.8 19.0 43.3 52.0 34.9 94 124 A G S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.419 77.1 137.4 86.5 -2.1 43.6 50.0 38.1 95 125 A I - 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