==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 06-MAY-13 4KKT . COMPND 2 MOLECULE: MEMBRANE FUSION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR N.P.GREENE,P.HINCHLIFFE,A.CROW,A.ABABOU,C.HUGHES,V.KORONAKIS . 1052 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 744 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 455 43.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.3 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 112 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 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 0 0 0 0 4 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 . 8 16 7 21 8 12 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 4 0 4 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 45 A R 0 0 161 0, 0.0 250,-0.3 0, 0.0 251,-0.1 0.000 360.0 360.0 360.0 108.2 44.7 5.4 -7.5 2 46 A F E -a 251 0A 87 248,-2.0 250,-2.9 1,-0.1 2,-0.3 -0.437 360.0-120.4 -70.4 136.1 44.6 3.7 -4.0 3 47 A P E +a 252 0A 84 0, 0.0 2,-0.3 0, 0.0 250,-0.2 -0.596 41.6 165.9 -78.1 135.9 41.3 2.2 -3.0 4 48 A V E -a 253 0A 3 248,-2.1 250,-2.0 -2,-0.3 251,-0.8 -0.966 31.9-143.4-144.1 155.2 39.7 3.6 0.2 5 49 A I E -aB 255 240A 31 235,-1.9 234,-3.1 -2,-0.3 235,-1.6 -0.966 26.8-159.8-115.5 138.4 36.4 3.6 2.1 6 50 A A E -aB 256 238A 0 249,-2.3 251,-2.4 -2,-0.4 2,-0.4 -0.891 10.5-137.5-123.9 151.3 35.6 6.9 3.8 7 51 A M E -aB 257 237A 4 230,-3.0 230,-2.2 -2,-0.3 2,-1.2 -0.910 16.1-132.2-103.8 137.3 33.2 7.8 6.6 8 52 A K E - B 0 236A 93 249,-2.4 251,-0.4 -2,-0.4 228,-0.2 -0.733 43.3-138.1 -84.7 98.6 31.0 11.0 6.5 9 53 A V - 0 0 0 226,-2.2 225,-3.2 -2,-1.2 2,-0.3 -0.260 22.2-164.9 -77.2 140.0 32.0 12.0 10.0 10 54 A K E -G 185 0B 77 175,-0.5 175,-1.6 223,-0.2 2,-0.2 -0.929 21.3-118.7-120.5 148.0 29.7 13.4 12.7 11 55 A K E +G 184 0B 52 -2,-0.3 173,-0.3 173,-0.2 2,-0.3 -0.546 53.9 124.7 -74.7 145.2 30.2 15.2 16.0 12 56 A G E -G 183 0B 5 171,-3.0 171,-2.1 -2,-0.2 2,-0.5 -0.899 51.7 -52.9-171.1-154.3 28.9 13.4 19.1 13 57 A I E - 0 0 49 249,-1.9 252,-0.4 -2,-0.3 2,-0.4 -0.918 29.6-178.2-118.0 130.3 29.4 11.9 22.5 14 58 A L E -G 180 0B 0 166,-2.6 166,-3.0 -2,-0.5 2,-0.4 -0.996 17.3-159.9-125.1 129.8 31.9 9.4 23.7 15 59 A S E -G 179 0B 0 -2,-0.4 2,-0.3 164,-0.2 164,-0.2 -0.883 9.1-149.6-123.7 138.0 31.7 8.3 27.3 16 60 A D E -G 178 0B 33 162,-3.0 161,-2.1 -2,-0.4 162,-1.2 -0.731 22.4-173.3 -98.2 152.0 34.2 6.7 29.7 17 61 A Y E -G 176 0B 19 -2,-0.3 2,-0.4 159,-0.3 159,-0.2 -0.953 28.1-125.8-146.4 161.7 33.1 4.5 32.5 18 62 A L E -G 175 0B 18 157,-2.7 157,-2.5 -2,-0.3 2,-0.6 -0.891 30.8-135.6-103.9 134.5 34.2 2.5 35.5 19 63 A S E +G 174 0B 61 -2,-0.4 2,-0.3 155,-0.2 155,-0.2 -0.888 35.6 163.7 -99.7 114.3 33.2 -1.2 35.5 20 64 A L E -G 173 0B 20 153,-3.5 153,-3.2 -2,-0.6 2,-0.4 -0.790 31.8-132.7-125.7 169.2 31.8 -2.5 38.7 21 65 A N E +G 172 0B 118 -2,-0.3 85,-0.6 151,-0.2 2,-0.3 -0.933 35.6 148.2-119.7 144.1 29.8 -5.4 40.1 22 66 A G E -GH 171 105B 6 149,-2.5 149,-2.5 -2,-0.4 2,-0.4 -0.934 35.4-111.2-159.3-175.3 26.9 -5.1 42.4 23 67 A D E -GH 170 104B 74 81,-1.7 81,-2.4 -2,-0.3 2,-0.5 -0.957 25.6-118.0-131.4 142.6 23.6 -6.5 43.6 24 68 A V E + H 0 103B 3 145,-2.5 144,-2.5 -2,-0.4 79,-0.2 -0.694 50.2 160.7 -77.0 124.5 20.0 -5.4 43.2 25 69 A D E - H 0 102B 23 77,-3.7 77,-2.4 -2,-0.5 2,-0.3 -0.688 33.6-120.2-129.1-176.3 18.8 -4.9 46.8 26 70 A T E - H 0 101B 2 75,-0.3 75,-0.2 -2,-0.2 3,-0.1 -0.997 7.6-140.9-131.7 146.5 16.0 -3.0 48.5 27 71 A K S S+ 0 0 110 73,-2.6 2,-0.7 -2,-0.3 -1,-0.1 0.886 92.5 53.4 -66.0 -39.8 16.2 -0.1 51.1 28 72 A V S S+ 0 0 61 69,-0.2 69,-2.5 72,-0.2 2,-0.3 -0.879 75.1 118.1-109.7 110.1 13.3 -1.4 53.1 29 73 A K E -O 96 0C 92 -2,-0.7 2,-0.3 67,-0.2 67,-0.3 -0.966 32.6-162.6-163.5 169.3 13.4 -5.0 54.2 30 74 A A E -O 95 0C 25 65,-2.4 65,-2.5 -2,-0.3 2,-0.3 -0.994 23.3-112.2-161.8 146.2 13.5 -7.1 57.3 31 75 A D E -O 94 0C 78 -2,-0.3 2,-0.7 63,-0.2 63,-0.2 -0.609 28.5-131.9 -80.3 146.7 14.2 -10.6 58.7 32 76 A I E +O 93 0C 0 61,-2.7 60,-2.7 -2,-0.3 61,-0.6 -0.897 32.4 174.5-101.5 109.3 11.4 -12.7 60.0 33 77 A F - 0 0 85 -2,-0.7 35,-0.3 58,-0.2 58,-0.1 -0.891 29.5-117.2-109.8 139.3 12.2 -14.2 63.4 34 78 A P - 0 0 3 0, 0.0 33,-0.1 0, 0.0 56,-0.1 -0.262 12.8-135.3 -63.7 162.5 9.9 -16.3 65.7 35 79 A D S S+ 0 0 139 31,-0.3 2,-0.3 54,-0.0 32,-0.1 0.363 84.7 24.4-100.6 -1.2 8.9 -15.0 69.1 36 80 A A S S- 0 0 37 29,-0.1 2,-0.3 51,-0.0 25,-0.0 -0.903 86.7 -92.2-152.9 178.5 9.5 -18.4 70.8 37 81 A V + 0 0 100 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.716 67.4 75.6 -97.4 148.7 11.5 -21.6 70.5 38 82 A G E S-R 86 0D 14 48,-2.7 48,-3.3 -2,-0.3 2,-0.3 -0.996 70.5 -41.5 154.4-158.2 10.2 -24.7 68.8 39 83 A K E -R 85 0D 110 -2,-0.3 22,-1.0 46,-0.3 2,-0.8 -0.766 48.2-112.1-113.1 152.0 9.4 -26.6 65.6 40 84 A I E +S 60 0E 4 44,-1.9 43,-1.8 -2,-0.3 20,-0.3 -0.750 32.7 172.6 -89.6 112.7 7.7 -25.3 62.3 41 85 A T E + 0 0 57 18,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.901 67.3 5.6 -80.9 -48.4 4.2 -26.9 61.8 42 86 A S E -S 59 0E 31 17,-0.8 17,-2.3 40,-0.0 2,-0.5 -0.983 54.0-149.9-140.4 147.6 3.1 -24.8 58.8 43 87 A L E -S 58 0E 46 -2,-0.3 15,-0.3 15,-0.2 39,-0.1 -0.967 9.7-173.3-114.5 112.3 4.5 -22.2 56.4 44 88 A R + 0 0 149 13,-2.4 2,-0.3 -2,-0.5 14,-0.2 -0.012 61.0 72.0 -95.1 31.0 1.8 -19.9 55.1 45 89 A I - 0 0 13 12,-0.2 2,-0.3 6,-0.0 6,-0.0 -0.986 51.9-171.4-142.2 149.3 4.1 -18.1 52.5 46 90 A K > - 0 0 148 -2,-0.3 3,-2.0 31,-0.0 29,-0.3 -0.913 49.7 -72.7-127.2 164.7 5.8 -18.7 49.2 47 91 A L T 3 S+ 0 0 49 -2,-0.3 29,-0.2 1,-0.2 3,-0.1 -0.300 121.2 21.4 -50.2 132.4 8.4 -16.6 47.4 48 92 A G T 3 S+ 0 0 49 27,-3.0 -1,-0.2 1,-0.3 28,-0.1 0.140 88.2 137.5 92.7 -18.5 6.7 -13.6 45.9 49 93 A A < - 0 0 21 -3,-2.0 26,-2.6 26,-0.1 2,-0.4 -0.308 52.3-129.4 -58.4 140.5 3.7 -13.6 48.3 50 94 A Y E -P 74 0C 116 24,-0.2 2,-0.3 -3,-0.1 24,-0.2 -0.786 29.4-174.6 -91.1 135.0 2.7 -10.2 49.6 51 95 A V E -P 73 0C 1 22,-3.3 22,-2.4 -2,-0.4 2,-0.3 -0.939 15.7-134.1-131.0 154.8 2.3 -10.0 53.4 52 96 A Q > - 0 0 118 -2,-0.3 3,-2.2 20,-0.2 17,-0.3 -0.771 40.0 -84.4-106.6 152.6 1.0 -7.3 55.8 53 97 A K T 3 S+ 0 0 156 -2,-0.3 19,-0.1 1,-0.2 -1,-0.1 -0.342 118.4 17.7 -52.9 127.8 2.6 -6.2 59.0 54 98 A G T 3 S+ 0 0 31 15,-3.0 -1,-0.2 1,-0.3 3,-0.1 0.067 90.1 140.6 98.2 -22.4 1.3 -8.6 61.7 55 99 A Q < - 0 0 78 -3,-2.2 14,-2.3 13,-0.2 2,-0.6 -0.174 59.4-111.3 -62.3 146.1 0.2 -11.3 59.4 56 100 A I E + T 0 68E 45 12,-0.2 12,-0.3 1,-0.2 -1,-0.1 -0.693 40.3 169.1 -83.1 119.1 0.8 -14.9 60.4 57 101 A V E + 0 0 0 10,-2.9 -13,-2.4 -2,-0.6 2,-0.3 0.635 63.1 1.5-105.9 -18.7 3.5 -16.4 58.1 58 102 A A E -ST 43 67E 0 9,-1.4 9,-3.0 -15,-0.3 2,-0.4 -0.982 62.5-128.3-161.2 169.5 4.2 -19.6 59.9 59 103 A T E -ST 42 66E 7 -17,-2.3 -18,-2.9 -2,-0.3 -17,-0.8 -0.968 20.1-172.0-130.0 139.8 3.3 -21.7 63.0 60 104 A L E ST 40 65E 1 5,-4.5 5,-2.3 -2,-0.4 -20,-0.2 -0.684 360.0 360.0-116.8 175.7 5.4 -23.3 65.7 61 105 A D 0 0 110 -22,-1.0 3,-0.2 3,-0.3 -21,-0.1 -0.466 360.0 360.0 -90.3 360.0 5.1 -25.7 68.7 62 ! 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 63 114 A L 0 0 202 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.4 0.6 -25.5 71.9 64 115 A K - 0 0 130 -3,-0.2 -3,-0.3 -23,-0.0 -5,-0.0 -0.927 360.0-166.9-100.2 125.9 0.7 -23.8 68.5 65 116 A S E -T 60 0E 30 -5,-2.3 -5,-4.5 -2,-0.5 2,-0.3 -0.944 15.2-130.0-115.1 141.1 2.8 -20.5 68.5 66 117 A P E -T 59 0E 47 0, 0.0 2,-0.5 0, 0.0 -31,-0.3 -0.708 5.2-148.8-101.7 139.7 2.6 -18.0 65.5 67 118 A V E -T 58 0E 1 -9,-3.0 -10,-2.9 -2,-0.3 -9,-1.4 -0.913 25.5-161.7-101.4 124.9 5.4 -16.3 63.5 68 119 A R E -T 56 0E 127 -2,-0.5 -12,-0.2 -35,-0.3 -35,-0.2 -0.783 22.0-107.8-113.1 152.8 4.3 -12.9 62.3 69 120 A A - 0 0 3 -14,-2.3 -15,-3.0 -17,-0.3 -14,-0.1 -0.621 20.4-154.6 -74.9 128.6 5.6 -10.5 59.6 70 121 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.640 75.7 13.4 -79.0 -19.4 7.4 -7.5 61.0 71 122 A I S S- 0 0 44 -19,-0.1 2,-0.4 -41,-0.1 -17,-0.1 -0.957 85.4 -96.4-142.5 169.9 6.6 -5.2 58.0 72 123 A S S S+ 0 0 35 -2,-0.3 2,-0.3 -20,-0.1 -20,-0.2 -0.727 71.3 79.9 -83.2 134.6 4.4 -5.2 55.0 73 124 A G E S-P 51 0C 2 -22,-2.4 -22,-3.3 -2,-0.4 2,-0.3 -0.986 73.2 -42.9 165.3-157.1 5.9 -6.4 51.7 74 125 A Y E -PQ 50 96C 82 22,-2.8 22,-2.1 -2,-0.3 2,-0.6 -0.707 49.7-111.3-103.3 147.5 6.9 -9.3 49.5 75 126 A I E + Q 0 95C 3 -26,-2.6 -27,-3.0 -29,-0.3 20,-0.2 -0.670 35.8 173.8 -80.7 119.3 8.6 -12.5 50.5 76 127 A L E + 0 0 17 18,-2.5 2,-0.3 -2,-0.6 318,-0.3 0.680 64.5 2.1 -97.3 -28.3 12.1 -12.5 49.0 77 128 A N E - Q 0 94C 28 17,-1.0 17,-2.6 315,-0.1 2,-0.5 -0.954 52.2-153.3-161.6 146.4 13.6 -15.6 50.5 78 129 A I E - Q 0 93C 39 -2,-0.3 15,-0.3 15,-0.3 14,-0.1 -0.983 12.0-179.4-126.0 115.0 12.5 -18.4 52.8 79 130 A T + 0 0 63 13,-2.2 2,-0.3 -2,-0.5 14,-0.2 -0.057 55.5 75.6-107.8 28.3 15.4 -19.9 54.7 80 131 A K - 0 0 49 12,-0.5 2,-0.3 10,-0.0 12,-0.0 -0.999 60.9-144.0-153.0 145.1 13.5 -22.6 56.6 81 132 A K > - 0 0 118 -2,-0.3 3,-1.9 1,-0.0 -41,-0.3 -0.804 34.6-102.6-110.3 139.6 11.8 -26.0 56.1 82 133 A I T 3 S+ 0 0 102 -2,-0.3 -41,-0.2 1,-0.2 3,-0.1 -0.474 113.7 36.7 -52.2 133.0 8.6 -27.3 57.7 83 134 A G T 3 S+ 0 0 34 -43,-1.8 -1,-0.2 1,-0.4 -42,-0.1 -0.056 88.1 121.6 108.1 -31.3 10.0 -29.7 60.4 84 135 A E < - 0 0 49 -3,-1.9 -44,-1.9 -45,-0.1 -1,-0.4 -0.278 62.3-122.8 -67.7 149.4 13.0 -27.6 61.4 85 136 A T E +R 39 0D 67 -46,-0.2 2,-0.3 -3,-0.1 -46,-0.3 -0.734 39.1 176.6 -88.4 141.1 13.6 -26.4 65.0 86 137 A V E -R 38 0D 3 -48,-3.3 -48,-2.7 -2,-0.3 -53,-0.0 -0.932 17.3-163.6-144.9 165.2 14.0 -22.6 65.4 87 138 A N > - 0 0 39 -2,-0.3 3,-3.7 -50,-0.2 -50,-0.2 -0.917 48.1 -77.2-146.2 173.2 14.4 -19.8 67.9 88 139 A P T 3 S+ 0 0 49 0, 0.0 -51,-0.1 0, 0.0 -55,-0.1 0.511 129.7 46.3 -56.5 -9.8 14.0 -16.0 68.2 89 140 A Q T 3 S+ 0 0 141 -56,-0.1 2,-0.6 2,-0.0 -54,-0.0 0.326 87.8 109.2-109.3 7.7 17.4 -15.4 66.4 90 141 A S < - 0 0 21 -3,-3.7 2,-0.6 -56,-0.1 -4,-0.0 -0.743 66.3-137.8 -88.4 114.5 16.5 -18.0 63.6 91 142 A N + 0 0 42 -2,-0.6 -58,-0.2 1,-0.2 3,-0.1 -0.613 27.8 171.6 -75.3 114.1 15.9 -16.3 60.2 92 143 A I - 0 0 0 -60,-2.7 -13,-2.2 -2,-0.6 -12,-0.5 0.807 61.6 -20.2 -93.9 -37.3 12.9 -17.9 58.5 93 144 A A E -OQ 32 78C 0 -61,-0.6 -61,-2.7 -15,-0.3 2,-0.4 -0.981 57.6-116.8-166.1 165.0 12.4 -15.6 55.6 94 145 A V E -OQ 31 77C 15 -17,-2.6 -18,-2.5 -2,-0.3 -17,-1.0 -0.969 20.4-165.7-116.4 135.5 13.0 -12.1 54.3 95 146 A V E +OQ 30 75C 0 -65,-2.5 -65,-2.4 -2,-0.4 2,-0.3 -0.970 18.7 159.1-114.9 139.5 10.3 -9.5 53.5 96 147 A G E -OQ 29 74C 0 -22,-2.1 -22,-2.8 -2,-0.4 2,-0.4 -0.963 39.4-103.2-151.8 167.0 11.0 -6.4 51.5 97 148 A R > - 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