==== 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 3K8G . COMPND 2 MOLECULE: 30KLP; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM; . AUTHOR G.ZHU,A.LUTHRA,D.DESROSIERS,M.KOSZELAK-ROSENBLUM,V.MULAY,J.D . 489 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 3 2 2 3 2 0 3 0 0 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 . 2 0 1 4 6 2 3 4 1 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 2 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 30 A W 0 0 133 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.1 73.0 18.0 -4.5 2 31 A K + 0 0 117 1,-0.2 3,-0.4 3,-0.0 132,-0.0 0.606 360.0 84.5 -84.8 -13.2 75.7 20.3 -5.8 3 32 A A S S+ 0 0 102 1,-0.3 2,-0.5 0, 0.0 -1,-0.2 0.923 105.3 19.4 -50.8 -50.9 75.0 19.3 -9.4 4 33 A S S S+ 0 0 106 -3,-0.3 2,-0.4 129,-0.1 -1,-0.3 -0.913 74.5 157.2-132.6 102.2 72.2 21.8 -9.7 5 34 A V - 0 0 33 -2,-0.5 128,-0.1 -3,-0.4 3,-0.1 -0.992 24.7-158.7-125.1 120.9 72.1 24.8 -7.3 6 35 A D >> - 0 0 89 -2,-0.4 4,-1.2 1,-0.1 3,-0.8 -0.887 10.9-153.0 -94.5 113.5 70.2 28.1 -8.2 7 36 A P H 3> S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.812 92.4 58.9 -59.7 -30.3 71.8 30.7 -5.9 8 37 A L H 3> S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 129,-0.1 0.866 104.0 51.6 -65.9 -33.8 68.6 32.8 -5.9 9 38 A G H <4 S+ 0 0 2 -3,-0.8 128,-2.4 1,-0.2 -1,-0.2 0.752 109.7 52.4 -70.8 -23.5 66.6 29.8 -4.4 10 39 A V H < S+ 0 0 0 -4,-1.2 -2,-0.2 126,-0.2 122,-0.2 0.894 105.5 49.2 -80.3 -43.3 69.3 29.5 -1.7 11 40 A V H < S- 0 0 0 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.822 116.7-128.7 -67.2 -27.7 69.3 33.2 -0.5 12 41 A G < - 0 0 0 -4,-1.3 3,-0.4 -5,-0.2 2,-0.1 0.016 11.3 -72.8 109.9 157.0 65.5 32.8 -0.3 13 42 A S S S+ 0 0 43 -4,-0.2 43,-0.0 1,-0.2 -4,-0.0 -0.444 96.7 41.7 -75.8 158.5 62.1 34.1 -1.3 14 43 A G S S+ 0 0 53 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.618 72.3 153.2 83.9 16.7 60.3 37.1 0.2 15 44 A A - 0 0 0 -3,-0.4 -1,-0.2 1,-0.1 43,-0.2 -0.410 46.1-140.7 -77.3 155.4 63.3 39.5 0.3 16 45 A D S S+ 0 0 62 41,-2.1 147,-2.4 1,-0.3 148,-0.5 0.784 90.6 22.8 -79.3 -30.9 62.8 43.3 0.1 17 46 A V E -AB 57 162A 3 40,-1.4 40,-2.6 145,-0.2 2,-0.4 -0.997 65.7-161.9-138.0 133.3 66.0 43.7 -2.1 18 47 A Y E -AB 56 161A 3 143,-2.5 143,-2.6 -2,-0.3 2,-0.3 -0.941 16.6-170.8-111.0 144.3 67.7 41.2 -4.3 19 48 A L E -AB 55 160A 5 36,-2.6 36,-2.8 -2,-0.4 2,-0.4 -0.967 15.4-173.3-135.7 144.1 71.3 41.9 -5.4 20 49 A Y E -AB 54 159A 1 139,-2.2 139,-2.5 -2,-0.3 34,-0.2 -0.958 7.4-179.7-137.9 126.3 73.8 40.4 -7.9 21 50 A F E -A 53 0A 15 32,-2.6 32,-2.2 -2,-0.4 2,-0.3 -0.945 20.6-149.8-124.7 111.1 77.5 41.6 -8.1 22 51 A P E -A 52 0A 5 0, 0.0 30,-0.3 0, 0.0 4,-0.2 -0.641 20.7-143.3 -64.3 129.5 80.0 40.1 -10.5 23 52 A V S > S+ 0 0 12 28,-2.5 3,-1.9 -2,-0.3 4,-0.2 0.933 77.0 85.9 -68.7 -42.1 83.2 40.5 -8.5 24 53 A A T 3 S+ 0 0 50 27,-0.6 129,-0.1 1,-0.3 27,-0.0 -0.395 104.8 11.0 -61.7 123.8 85.4 41.4 -11.5 25 54 A G T 3 S+ 0 0 27 -2,-0.2 -1,-0.3 165,-0.1 166,-0.1 0.240 121.8 70.9 90.3 -10.8 85.2 45.1 -12.2 26 55 A N <> + 0 0 2 -3,-1.9 4,-2.3 -4,-0.2 5,-0.2 0.137 56.1 118.1-122.0 21.5 83.4 45.8 -8.9 27 56 A E H > S+ 0 0 100 -4,-0.2 4,-2.4 1,-0.2 5,-0.1 0.870 76.5 46.8 -59.1 -46.7 86.2 45.2 -6.4 28 57 A N H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 112.1 50.4 -63.8 -48.9 86.2 48.7 -4.8 29 58 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.936 113.1 45.2 -54.2 -49.6 82.5 48.9 -4.5 30 59 A I H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.915 111.4 53.6 -65.4 -41.8 82.2 45.5 -2.7 31 60 A S H X S+ 0 0 30 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.926 109.3 48.9 -55.0 -47.6 85.2 46.4 -0.5 32 61 A R H X S+ 0 0 81 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.882 110.5 49.6 -62.9 -42.5 83.5 49.6 0.6 33 62 A I H X S+ 0 0 21 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.957 112.1 48.3 -60.9 -46.9 80.2 47.9 1.4 34 63 A I H >X S+ 0 0 26 -4,-2.6 3,-1.7 1,-0.2 4,-0.9 0.936 109.6 53.1 -58.0 -48.1 82.0 45.3 3.5 35 64 A E H >< S+ 0 0 105 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.846 101.8 59.1 -52.2 -43.8 83.9 48.0 5.3 36 65 A N H 3< S+ 0 0 87 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.662 113.3 39.5 -60.4 -18.7 80.7 49.8 6.2 37 66 A H H << 0 0 34 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.482 360.0 360.0-115.5 -6.7 79.5 46.6 8.1 38 67 A E << 0 0 144 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 -0.654 360.0 360.0 85.0 360.0 82.7 45.3 9.8 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 69 A K > 0 0 139 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -47.5 87.1 41.8 9.0 41 70 A A H > + 0 0 43 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 360.0 60.2 -67.1 -37.4 89.8 40.0 7.1 42 71 A D H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 104.5 49.0 -60.4 -43.0 88.0 36.7 6.4 43 72 A I H > S+ 0 0 31 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.947 113.5 46.0 -64.2 -46.6 85.2 38.3 4.5 44 73 A K H X S+ 0 0 78 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.928 111.8 52.8 -59.9 -44.2 87.6 40.3 2.3 45 74 A K H X S+ 0 0 97 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.899 109.5 48.5 -58.3 -42.0 89.6 37.1 1.8 46 75 A I H >< S+ 0 0 8 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.930 109.7 52.2 -62.6 -45.5 86.5 35.2 0.7 47 76 A V H >< S+ 0 0 18 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.888 101.3 60.9 -59.3 -40.6 85.6 38.0 -1.7 48 77 A D H 3< S+ 0 0 129 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.680 110.0 42.6 -62.0 -16.9 89.1 37.8 -3.3 49 78 A R T << S+ 0 0 104 -3,-1.4 22,-2.2 -4,-0.6 2,-0.4 0.197 98.4 98.0-108.7 13.9 88.3 34.2 -4.2 50 79 A T E < - C 0 70A 11 -3,-2.1 20,-0.3 20,-0.2 3,-0.1 -0.839 47.4-171.1-109.8 136.0 84.7 34.8 -5.4 51 80 A T E S+ 0 0 75 18,-3.1 -28,-2.5 -2,-0.4 -27,-0.6 0.796 77.2 8.8 -91.0 -32.6 83.5 35.3 -9.0 52 81 A A E -AC 22 69A 0 17,-1.5 17,-2.3 -30,-0.3 2,-0.4 -0.997 59.1-153.9-152.4 142.6 79.9 36.3 -8.2 53 82 A V E -AC 21 68A 24 -32,-2.2 -32,-2.6 -2,-0.3 2,-0.4 -0.979 6.6-165.9-119.6 130.5 77.8 37.2 -5.2 54 83 A Y E -AC 20 67A 10 13,-3.1 13,-2.9 -2,-0.4 2,-0.3 -0.931 19.0-176.8-111.8 133.7 74.0 36.8 -5.0 55 84 A G E -AC 19 66A 0 -36,-2.8 -36,-2.6 -2,-0.4 2,-0.4 -0.963 22.3-169.1-137.2 156.1 72.3 38.6 -2.1 56 85 A A E -AC 18 65A 0 9,-2.1 9,-2.7 -2,-0.3 2,-0.5 -0.994 11.5-156.3-139.7 129.8 68.9 39.1 -0.5 57 86 A F E -AC 17 64A 11 -40,-2.6 -41,-2.1 -2,-0.4 -40,-1.4 -0.948 4.2-161.9-106.6 130.7 68.1 41.7 2.2 58 87 A F E > - C 0 63A 17 5,-2.7 5,-1.5 -2,-0.5 4,-0.4 -0.943 2.9-165.9-114.0 112.1 65.1 41.1 4.6 59 88 A A T 5S+ 0 0 44 -2,-0.6 3,-0.5 3,-0.2 -1,-0.1 0.871 83.5 53.1 -66.5 -40.6 63.9 44.3 6.3 60 89 A R T 5S+ 0 0 197 1,-0.2 -1,-0.2 2,-0.1 198,-0.2 0.906 120.5 31.6 -67.9 -41.5 61.7 42.6 9.0 61 90 A S T 5S- 0 0 12 2,-0.1 59,-0.4 196,-0.1 -1,-0.2 0.322 105.9-131.7 -94.1 4.7 64.4 40.3 10.3 62 91 A K T 5 + 0 0 115 -3,-0.5 58,-2.5 -4,-0.4 2,-0.3 0.914 59.1 124.3 45.5 67.7 67.2 42.9 9.5 63 92 A E E < -CD 58 119A 3 -5,-1.5 -5,-2.7 56,-0.2 2,-0.4 -0.993 53.4-141.8-151.9 152.6 69.6 40.6 7.7 64 93 A F E -CD 57 118A 15 54,-2.8 54,-2.5 -2,-0.3 2,-0.4 -0.941 14.7-161.4-111.0 141.1 71.5 40.0 4.4 65 94 A R E -CD 56 117A 22 -9,-2.7 -9,-2.1 -2,-0.4 2,-0.4 -0.997 15.4-172.1-120.7 131.2 71.8 36.5 3.1 66 95 A L E -CD 55 116A 48 50,-3.2 50,-2.3 -2,-0.4 2,-0.4 -0.946 16.3-165.7-131.2 141.8 74.6 36.0 0.5 67 96 A F E -CD 54 115A 1 -13,-2.9 -13,-3.1 -2,-0.4 2,-0.4 -0.993 12.1-165.6-127.3 127.9 75.7 33.2 -1.7 68 97 A G E -CD 53 114A 3 46,-2.5 46,-2.1 -2,-0.4 2,-0.5 -0.918 11.9-154.2-116.0 136.8 79.1 33.3 -3.5 69 98 A S E +CD 52 113A 20 -17,-2.3 -18,-3.1 -2,-0.4 -17,-1.5 -0.950 49.4 103.4-102.2 131.4 80.4 31.2 -6.4 70 99 A G E S-C 50 0A 12 42,-1.9 2,-0.5 -2,-0.5 -20,-0.2 -0.859 73.9 -65.7-171.1-152.4 84.2 30.9 -6.3 71 100 A S + 0 0 48 -22,-2.2 41,-0.2 -2,-0.3 -2,-0.0 -0.972 43.8 168.3-128.7 107.2 87.2 28.7 -5.5 72 101 A Y - 0 0 4 39,-3.6 41,-0.1 -2,-0.5 5,-0.1 -0.547 13.3-176.5-124.9 66.1 87.4 27.9 -1.8 73 102 A P >> - 0 0 51 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.149 40.1-107.9 -61.0 157.9 90.0 25.1 -1.3 74 103 A Y H 3> S+ 0 0 180 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.837 118.5 60.7 -53.3 -37.9 90.8 23.6 2.1 75 104 A A H 34 S+ 0 0 72 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.767 110.6 42.1 -67.0 -26.4 94.2 25.3 2.2 76 105 A F H X4 S+ 0 0 29 -3,-1.3 3,-1.3 2,-0.1 4,-0.3 0.940 115.4 46.4 -80.5 -55.1 92.4 28.6 2.0 77 106 A T H >< S+ 0 0 20 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.852 105.2 60.8 -59.9 -38.4 89.5 27.8 4.4 78 107 A N T 3< S+ 0 0 99 -4,-2.9 -1,-0.3 1,-0.2 -3,-0.1 0.787 103.0 53.1 -56.3 -27.9 91.8 26.3 7.1 79 108 A L T < S+ 0 0 139 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.391 105.4 58.5 -94.7 -2.7 93.6 29.7 7.4 80 109 A I S < S+ 0 0 10 -3,-1.4 -39,-0.0 -4,-0.3 -3,-0.0 -0.534 79.1 54.6-112.4-170.7 90.6 31.8 8.0 81 110 A F S S- 0 0 10 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.925 71.9-177.0 47.4 51.5 87.9 31.8 10.7 82 111 A S > > - 0 0 45 -3,-0.2 3,-2.0 1,-0.1 5,-1.1 -0.589 33.0-131.2 -76.3 138.5 90.5 31.9 13.5 83 112 A R G > 5S+ 0 0 208 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.731 106.9 66.1 -59.4 -22.5 89.2 31.8 17.1 84 113 A S G 3 5S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.604 97.1 56.0 -75.8 -7.8 91.3 34.8 17.9 85 114 A D G < 5S- 0 0 100 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.384 128.1 -98.3-100.4 3.8 89.1 36.8 15.5 86 115 A G T < 5S+ 0 0 52 -3,-1.2 2,-0.5 1,-0.3 16,-0.3 0.705 76.4 142.8 88.1 23.6 85.9 35.8 17.5 87 116 A W < - 0 0 17 -5,-1.1 2,-0.4 14,-0.1 -1,-0.3 -0.859 30.7-165.7 -97.5 126.6 84.9 32.9 15.2 88 117 A A E -E 100 0A 55 12,-2.8 12,-3.1 -2,-0.5 2,-0.3 -0.923 9.3-148.7-110.7 137.2 83.3 29.8 16.7 89 118 A S E -E 99 0A 71 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.807 11.2-170.9-105.2 148.2 83.0 26.6 14.6 90 119 A T E -E 98 0A 56 8,-2.1 8,-2.5 -2,-0.3 2,-0.5 -0.997 17.1-131.4-138.9 142.0 80.3 23.9 14.9 91 120 A K E E 97 0A 140 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.816 360.0 360.0-103.4 126.7 80.1 20.5 13.2 92 121 A T 0 0 44 4,-2.0 3,-2.1 -2,-0.5 5,-0.2 0.429 360.0 360.0-133.7 360.0 77.1 19.1 11.4 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 123 A H 0 0 118 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 27.8 75.9 16.0 7.0 95 124 A G + 0 0 38 -3,-2.1 -3,-0.1 1,-0.2 0, 0.0 -0.146 360.0 134.8 98.4 -35.8 79.7 16.9 7.6 96 125 A I - 0 0 34 -5,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.098 46.8-137.8 -56.9 137.3 79.5 20.7 7.0 97 126 A T E -E 91 0A 45 11,-0.2 11,-0.6 -6,-0.2 2,-0.4 -0.796 12.9-157.0 -94.7 139.2 81.3 23.2 9.3 98 127 A Y E -EF 90 107A 8 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.4 -0.944 2.0-154.8-111.3 137.7 79.5 26.4 10.3 99 128 A Y E -EF 89 106A 46 7,-3.1 7,-2.7 -2,-0.4 2,-0.4 -0.944 15.5-170.1-110.8 130.7 81.5 29.5 11.5 100 129 A E E +EF 88 105A 49 -12,-3.1 -12,-2.8 -2,-0.4 2,-0.3 -0.952 13.0 164.3-123.8 141.3 79.6 31.9 13.8 101 130 A S - 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