==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 10-NOV-10 3PJN . COMPND 2 MOLECULE: 34 KDA MEMBRANE ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM; . AUTHOR C.A.BRAUTIGAM,R.K.DEKA,D.R.TOMCHICK,M.MACHIUS,M.V.NORGARD . 315 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 36.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.6 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 . 2 0.6 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 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 RESIDUES PER ALPHA HELIX . 0 2 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 4 2 2 4 0 0 6 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 2 0 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 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 F 0 0 83 0, 0.0 2,-0.3 0, 0.0 290,-0.1 0.000 360.0 360.0 360.0 165.1 8.8 35.3 79.9 2 29 A D - 0 0 118 2,-0.0 2,-0.4 0, 0.0 21,-0.2 -0.601 360.0-176.4 -80.7 130.4 8.7 39.1 79.8 3 30 A E - 0 0 71 -2,-0.3 19,-0.2 19,-0.1 17,-0.0 -0.992 11.9-150.3-126.3 140.1 8.5 40.9 76.4 4 31 A F E -A 21 0A 55 17,-2.6 17,-2.6 -2,-0.4 2,-0.2 -0.844 23.0-113.7-111.5 141.1 8.5 44.6 75.8 5 32 A P E -A 20 0A 91 0, 0.0 15,-0.3 0, 0.0 3,-0.1 -0.473 12.6-161.2 -77.5 143.3 6.8 46.3 72.8 6 33 A I S S- 0 0 10 13,-2.4 2,-0.3 1,-0.4 146,-0.2 0.822 71.1 -59.6 -80.9 -35.0 8.7 48.1 70.0 7 34 A G S S- 0 0 27 12,-0.7 12,-0.4 144,-0.1 -1,-0.4 -0.960 83.2 -29.0 172.4-172.9 5.5 49.9 69.1 8 35 A E S S- 0 0 151 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.342 70.9-100.0 -66.1 142.7 2.0 49.3 67.9 9 36 A D - 0 0 88 9,-0.1 2,-0.3 1,-0.1 9,-0.2 -0.283 41.8-144.0 -60.5 150.3 1.3 46.2 65.8 10 37 A R E -B 17 0A 79 7,-3.0 7,-3.3 -3,-0.1 2,-0.5 -0.880 12.4-152.3-118.7 145.3 1.1 46.8 62.0 11 38 A D E +B 16 0A 101 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.986 25.3 166.3-111.8 123.1 -0.9 45.3 59.2 12 39 A V E > -B 15 0A 28 3,-2.3 3,-2.3 -2,-0.5 39,-0.1 -0.985 59.4 -42.7-137.7 121.9 0.9 45.5 55.9 13 40 A G T 3 S- 0 0 48 -2,-0.4 40,-0.3 1,-0.3 41,-0.2 -0.362 124.1 -21.1 58.1-135.7 -0.3 43.5 52.9 14 41 A P T 3 S+ 0 0 20 0, 0.0 37,-2.3 0, 0.0 2,-0.4 0.228 121.3 94.1 -88.0 15.0 -1.3 40.0 54.0 15 42 A L E < -BC 12 50A 2 -3,-2.3 -3,-2.3 35,-0.2 2,-0.5 -0.883 57.7-156.6-117.1 141.9 0.8 40.2 57.1 16 43 A H E -BC 11 49A 57 33,-3.0 33,-2.2 -2,-0.4 2,-0.5 -0.963 28.0-167.4-104.1 124.5 0.1 41.2 60.7 17 44 A V E -BC 10 48A 0 -7,-3.3 -7,-3.0 -2,-0.5 2,-0.3 -0.947 12.8-178.1-124.0 124.5 3.5 42.2 62.2 18 45 A G E - C 0 47A 6 29,-2.3 29,-2.5 -2,-0.5 2,-0.4 -0.882 11.7-153.0-115.5 153.3 4.4 42.8 65.8 19 46 A G E + C 0 46A 3 -12,-0.4 -13,-2.4 -2,-0.3 -12,-0.7 -0.993 20.1 165.8-127.0 128.0 7.8 43.9 67.2 20 47 A V E -AC 5 45A 28 25,-1.9 25,-2.6 -2,-0.4 2,-0.3 -0.944 13.5-164.6-135.4 161.9 9.1 43.1 70.7 21 48 A Y E +AC 4 44A 5 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.3 -0.980 17.0 148.5-141.8 155.0 12.4 43.3 72.4 22 49 A F E - C 0 43A 0 21,-2.0 21,-2.8 -2,-0.3 -19,-0.1 -0.895 54.2 -31.2-163.0-166.5 13.8 41.8 75.6 23 50 A Q S S- 0 0 26 -2,-0.3 19,-0.2 -21,-0.2 18,-0.1 -0.208 74.9 -90.5 -60.6 149.7 17.1 40.6 77.1 24 51 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.244 49.0-148.6 -53.6 147.3 19.7 39.1 74.7 25 52 A V - 0 0 1 17,-0.1 2,-0.5 -3,-0.1 15,-0.1 -0.766 13.8-116.6-120.4 163.2 19.3 35.3 74.4 26 53 A E - 0 0 102 -2,-0.3 261,-3.2 10,-0.1 262,-0.9 -0.871 37.7-168.3 -96.2 129.9 21.6 32.3 73.7 27 54 A M E -D 286 0A 15 -2,-0.5 259,-0.2 259,-0.3 10,-0.1 -0.909 19.6-111.2-122.8 148.1 20.7 30.6 70.5 28 55 A H E S+D 285 0A 80 257,-2.6 257,-2.0 -2,-0.3 2,-0.2 -0.982 106.2 13.8-125.7 125.6 21.8 27.3 68.9 29 56 A P S S- 0 0 28 0, 0.0 256,-0.2 0, 0.0 -1,-0.1 0.766 101.9-116.6 -69.4 171.8 23.5 27.6 66.6 30 57 A A - 0 0 82 -2,-0.2 2,-0.2 254,-0.1 -2,-0.1 -0.660 42.1-120.8 -75.0 125.7 24.4 31.2 67.0 31 58 A P > - 0 0 12 0, 0.0 3,-1.9 0, 0.0 250,-0.1 -0.508 45.3 -54.5 -80.3 136.3 22.9 32.8 63.8 32 59 A G T 3 S- 0 0 86 -2,-0.2 55,-0.0 1,-0.2 -2,-0.0 -0.027 107.9 -28.0 45.3-132.0 24.8 34.6 61.1 33 60 A A T 3 S+ 0 0 110 53,-0.1 -1,-0.2 2,-0.0 -3,-0.0 -0.071 92.1 140.9-107.8 29.3 26.9 37.6 62.4 34 61 A Q < - 0 0 34 -3,-1.9 68,-0.1 1,-0.1 6,-0.1 -0.460 57.4-101.2 -80.6 147.7 24.8 38.5 65.4 35 62 A P - 0 0 31 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 -0.272 43.0-104.7 -60.1 149.1 26.4 39.6 68.8 36 63 A S > - 0 0 48 1,-0.1 4,-2.4 -6,-0.1 3,-0.1 -0.193 36.0 -96.5 -65.8 167.2 26.6 37.0 71.5 37 64 A K T 4 S+ 0 0 85 1,-0.2 -1,-0.1 2,-0.2 -11,-0.1 0.886 127.1 46.5 -49.0 -44.6 24.3 37.0 74.5 38 65 A E T 4 S+ 0 0 162 1,-0.2 -1,-0.2 -13,-0.0 -12,-0.0 0.866 116.3 42.2 -72.3 -34.6 27.0 38.8 76.5 39 66 A E T 4 S+ 0 0 141 -3,-0.1 -2,-0.2 64,-0.0 -1,-0.2 0.735 97.5 90.7 -86.3 -21.9 27.8 41.4 73.8 40 67 A A < - 0 0 11 -4,-2.4 63,-0.2 1,-0.1 3,-0.1 -0.281 63.3-148.0 -75.2 157.6 24.3 42.2 72.7 41 68 A D S S- 0 0 56 61,-2.3 2,-0.3 1,-0.3 62,-0.2 0.823 75.2 -28.2 -84.3 -40.2 22.1 45.0 74.1 42 69 A C E - E 0 102A 0 60,-2.0 60,-2.6 -19,-0.2 2,-0.4 -0.941 57.3-105.3-159.6 174.3 18.8 43.1 73.5 43 70 A H E -CE 22 101A 0 -21,-2.8 -21,-2.0 -2,-0.3 2,-0.4 -0.980 33.6-163.6-109.6 132.1 17.0 40.5 71.4 44 71 A I E -CE 21 100A 3 56,-2.9 56,-2.4 -2,-0.4 2,-0.4 -0.934 6.2-168.0-115.5 141.6 14.5 41.9 68.9 45 72 A E E -CE 20 99A 6 -25,-2.6 -25,-1.9 -2,-0.4 2,-0.6 -0.983 18.6-150.0-131.6 143.4 11.8 39.8 67.3 46 73 A A E -CE 19 98A 0 52,-3.0 52,-2.2 -2,-0.4 2,-0.7 -0.954 14.1-159.0-103.2 122.0 9.3 40.2 64.5 47 74 A D E -C 18 0A 62 -29,-2.5 -29,-2.3 -2,-0.6 2,-0.5 -0.894 17.3-175.9-102.6 110.7 6.2 38.2 65.0 48 75 A I E +C 17 0A 0 -2,-0.7 17,-1.6 -31,-0.2 2,-0.3 -0.937 9.9 163.0-122.7 119.1 4.6 37.7 61.6 49 76 A H E -CF 16 64A 49 -33,-2.2 -33,-3.0 -2,-0.5 2,-0.3 -0.860 41.6 -97.1-127.0 161.7 1.3 36.0 61.0 50 77 A A E -C 15 0A 4 13,-2.1 12,-2.8 10,-0.4 -35,-0.2 -0.612 36.1-158.7 -79.0 136.8 -1.1 35.9 58.1 51 78 A N > - 0 0 25 -37,-2.3 3,-1.3 -2,-0.3 4,-0.4 -0.321 46.5 -73.8 -97.7-168.8 -4.1 38.3 58.2 52 79 A E G > S+ 0 0 120 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.870 133.9 56.1 -56.7 -37.7 -7.3 38.0 56.3 53 80 A A G > S+ 0 0 50 -40,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.769 95.8 68.5 -65.4 -23.6 -5.6 39.0 53.1 54 81 A G G X >S+ 0 0 0 -3,-1.3 5,-1.6 -40,-0.3 3,-1.4 0.681 79.7 77.0 -64.6 -17.6 -3.2 36.2 53.6 55 82 A K G X 5S+ 0 0 108 -3,-1.6 3,-1.7 -4,-0.4 -1,-0.2 0.867 85.5 62.1 -67.8 -33.2 -5.9 33.7 53.0 56 83 A D G < 5S+ 0 0 88 -3,-0.9 81,-2.4 -4,-0.4 80,-0.5 0.651 100.6 53.1 -64.2 -19.7 -5.6 34.3 49.2 57 84 A L G < 5S- 0 0 6 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.405 125.3-103.5 -90.7 -3.5 -2.0 33.0 49.3 58 85 A G T < 5S+ 0 0 4 -3,-1.7 192,-0.2 1,-0.3 -3,-0.2 0.450 76.4 135.8 96.5 1.2 -3.3 29.8 51.0 59 86 A Y < - 0 0 8 -5,-1.6 -1,-0.3 194,-0.2 2,-0.3 -0.542 61.1-113.1 -79.9 150.8 -2.2 30.6 54.6 60 87 A G > - 0 0 28 -2,-0.2 3,-2.1 4,-0.2 -10,-0.4 -0.638 44.6-101.0 -75.5 137.2 -4.4 29.9 57.4 61 88 A V T 3 S+ 0 0 66 -2,-0.3 -10,-0.2 1,-0.3 3,-0.1 -0.427 108.6 18.7 -64.8 131.4 -5.4 33.2 59.0 62 89 A G T 3 S+ 0 0 42 -12,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.244 95.8 130.2 89.0 -11.5 -3.3 33.8 62.1 63 90 A D < - 0 0 88 -3,-2.1 -13,-2.1 1,-0.1 -1,-0.3 -0.453 68.2 -96.7 -78.7 149.7 -0.7 31.2 61.2 64 91 A F B -F 49 0A 31 -15,-0.2 -15,-0.2 -2,-0.1 -4,-0.2 -0.290 34.0-136.4 -53.1 139.4 3.0 31.9 61.2 65 92 A V - 0 0 0 -17,-1.6 3,-0.5 -3,-0.1 -17,-0.1 -0.891 26.8-163.6-106.6 104.5 4.3 32.8 57.7 66 93 A P + 0 0 2 0, 0.0 -17,-0.0 0, 0.0 0, 0.0 -0.284 58.5 38.1 -84.8 167.1 7.6 31.0 57.1 67 94 A Y S S+ 0 0 17 1,-0.2 54,-0.4 52,-0.1 2,-0.1 0.474 76.1 142.0 72.3 13.2 10.4 31.5 54.6 68 95 A L - 0 0 9 -3,-0.5 2,-0.6 52,-0.1 -1,-0.2 -0.404 50.3-132.9 -77.4 157.8 10.3 35.3 54.7 69 96 A R E -I 118 0B 127 49,-2.2 49,-2.8 -2,-0.1 2,-0.5 -0.938 29.1-173.6-112.9 107.4 13.5 37.3 54.5 70 97 A V E +I 117 0B 5 -2,-0.6 17,-2.5 17,-0.3 2,-0.4 -0.873 8.7 179.5-112.5 128.4 13.3 40.0 57.2 71 98 A V E -IJ 116 86B 31 45,-2.3 45,-2.9 -2,-0.5 2,-0.4 -0.996 13.5-151.4-128.0 132.0 15.9 42.7 57.6 72 99 A A E -IJ 115 85B 1 13,-3.1 13,-3.2 -2,-0.4 2,-0.4 -0.818 4.6-162.0-102.7 142.9 15.7 45.4 60.3 73 100 A F E -IJ 114 84B 45 41,-2.6 41,-2.2 -2,-0.4 2,-0.4 -0.998 6.2-166.8-121.9 131.7 17.2 48.9 59.9 74 101 A L E +IJ 113 83B 1 9,-2.1 9,-2.8 -2,-0.4 2,-0.4 -0.962 9.0 175.0-121.2 132.1 17.9 51.0 63.0 75 102 A Q E -I 112 0B 64 37,-2.3 37,-3.2 -2,-0.4 7,-0.1 -0.930 25.2-135.1-142.5 117.3 18.6 54.7 62.8 76 103 A K E > -I 111 0B 53 5,-0.5 3,-2.0 -2,-0.4 35,-0.3 -0.412 39.2 -97.6 -70.1 139.5 19.0 57.0 65.8 77 104 A H T 3 S+ 0 0 88 33,-2.8 -1,-0.1 1,-0.3 33,-0.1 -0.331 110.9 20.6 -54.8 135.5 17.2 60.3 65.5 78 105 A G T 3 S+ 0 0 94 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.462 106.0 105.9 85.7 2.0 19.5 63.0 64.4 79 106 A S < - 0 0 23 -3,-2.0 -1,-0.3 2,-0.1 27,-0.0 -0.862 58.4-155.6-115.8 147.6 22.0 60.5 62.9 80 107 A E + 0 0 188 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.552 67.2 105.3 -92.1 -8.7 22.8 59.6 59.3 81 108 A K - 0 0 151 -5,-0.1 2,-0.5 25,-0.0 -5,-0.5 -0.567 52.0-167.2 -76.0 130.2 24.1 56.2 60.4 82 109 A V - 0 0 76 -2,-0.3 2,-0.5 -7,-0.1 -7,-0.2 -0.965 9.6-148.0-120.7 128.3 21.8 53.2 59.7 83 110 A Q E -J 74 0B 20 -9,-2.8 -9,-2.1 -2,-0.5 2,-0.5 -0.797 8.9-154.9 -91.2 133.0 22.4 49.7 61.1 84 111 A K E -J 73 0B 133 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.931 13.6-177.9-109.3 123.3 21.3 46.8 59.0 85 112 A V E -J 72 0B 21 -13,-3.2 -13,-3.1 -2,-0.5 2,-0.6 -0.965 18.3-145.5-123.2 121.6 20.4 43.6 60.8 86 113 A M E -J 71 0B 125 -2,-0.5 -15,-0.2 -15,-0.2 2,-0.2 -0.724 19.4-144.1 -85.6 124.5 19.4 40.4 59.1 87 114 A F - 0 0 18 -17,-2.5 -17,-0.3 -2,-0.6 13,-0.2 -0.503 10.5-149.5 -80.9 154.9 16.9 38.5 61.1 88 115 A A E -G 99 0A 18 11,-2.3 11,-2.3 -2,-0.2 2,-0.2 -0.946 20.7-108.7-119.2 150.8 17.0 34.8 61.2 89 116 A P E +G 98 0A 20 0, 0.0 195,-1.4 0, 0.0 2,-0.3 -0.576 54.2 149.3 -75.0 141.2 14.0 32.3 61.7 90 117 A M E -Gh 97 284A 0 7,-2.4 7,-2.2 -2,-0.2 2,-0.4 -0.981 41.5-114.2-163.1 160.0 14.1 30.6 65.1 91 118 A N E -Gh 96 285A 0 193,-1.8 195,-2.9 -2,-0.3 2,-0.2 -0.920 24.5-179.4-105.5 138.0 11.9 29.1 67.8 92 119 A A E > -G 95 0A 0 3,-1.8 3,-1.9 -2,-0.4 200,-0.2 -0.548 55.9 -83.3-109.3-173.0 11.5 30.5 71.4 93 120 A G T 3 S+ 0 0 45 198,-2.4 199,-0.1 1,-0.3 123,-0.1 0.729 133.7 52.9 -65.9 -18.2 9.4 28.9 74.1 94 121 A D T 3 S- 0 0 90 1,-0.3 -1,-0.3 197,-0.3 124,-0.1 0.243 119.0-101.2-104.1 12.5 6.5 30.8 72.5 95 122 A G E < - 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