==== 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 4KKU . 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 . 1063 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 751 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 465 43.7 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 . 1 0.1 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 . 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 . 110 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 3 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 3 1 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 . 10 11 5 27 8 13 0 3 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 . 1 1 7 0 0 4 0 3 1 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 44 A Y 0 0 214 0, 0.0 2,-0.4 0, 0.0 250,-0.3 0.000 360.0 360.0 360.0 149.6 2.4 43.4 -31.6 2 45 A R - 0 0 98 248,-0.1 250,-0.3 208,-0.0 208,-0.1 -0.993 360.0-130.0-129.4 118.1 1.4 40.7 -34.2 3 46 A F E -a 252 0A 58 248,-2.1 250,-3.1 -2,-0.4 2,-0.3 -0.435 23.2-119.3 -69.8 137.7 3.1 37.2 -33.8 4 47 A P E +a 253 0A 66 0, 0.0 2,-0.3 0, 0.0 250,-0.2 -0.618 41.4 170.7 -80.0 136.0 4.6 35.8 -37.0 5 48 A V E -a 254 0A 2 248,-2.2 250,-2.3 -2,-0.3 251,-0.8 -0.993 30.9-146.8-140.8 149.4 3.1 32.5 -38.2 6 49 A I E -aB 256 241A 31 235,-2.3 234,-2.7 -2,-0.3 235,-1.6 -0.958 27.6-161.8-107.6 137.6 3.1 30.1 -41.1 7 50 A A E -aB 257 239A 0 249,-2.3 251,-2.7 -2,-0.4 2,-0.4 -0.883 10.8-138.4-122.8 152.6 -0.2 28.3 -41.7 8 51 A X E -aB 258 238A 5 230,-3.2 230,-2.5 -2,-0.3 2,-1.3 -0.907 16.5-131.3-106.7 138.8 -1.2 25.2 -43.6 9 52 A K E - B 0 237A 102 249,-2.5 251,-0.4 -2,-0.4 228,-0.2 -0.678 43.3-139.2 -85.1 94.9 -4.3 25.0 -45.7 10 53 A V - 0 0 0 226,-2.3 225,-2.8 -2,-1.3 2,-0.3 -0.162 22.0-166.7 -72.8 142.2 -5.4 21.7 -44.2 11 54 A K E -G 186 0B 74 175,-0.6 175,-1.7 223,-0.2 2,-0.2 -0.954 22.7-114.6-126.2 155.6 -6.8 18.7 -46.1 12 55 A K E +G 185 0B 54 -2,-0.3 2,-0.3 173,-0.2 173,-0.2 -0.551 54.4 125.9 -78.8 145.0 -8.6 15.5 -45.3 13 56 A G E -G 184 0B 6 171,-2.4 171,-2.1 -2,-0.2 2,-0.5 -0.907 52.2 -59.0-169.3-156.2 -6.7 12.3 -46.2 14 57 A I E - 0 0 48 249,-1.9 252,-0.5 -2,-0.3 2,-0.4 -0.939 28.9-176.6-118.5 130.5 -5.4 9.0 -45.2 15 58 A L E -G 181 0B 0 166,-2.2 166,-3.1 -2,-0.5 2,-0.4 -0.989 17.4-159.6-119.8 134.0 -2.8 8.2 -42.5 16 59 A S E -G 180 0B 0 -2,-0.4 2,-0.3 164,-0.2 164,-0.2 -0.871 9.5-147.9-125.5 134.1 -1.8 4.5 -42.2 17 60 A D E -G 179 0B 30 162,-3.3 161,-2.0 -2,-0.4 162,-1.1 -0.692 23.8-174.2 -94.0 152.7 -0.2 2.4 -39.4 18 61 A Y E -G 177 0B 27 159,-0.3 2,-0.4 -2,-0.3 159,-0.2 -0.972 28.4-125.5-149.9 158.4 2.1 -0.4 -40.1 19 62 A L E -G 176 0B 15 157,-2.9 157,-2.9 -2,-0.3 2,-0.6 -0.888 30.4-136.0-103.2 130.9 4.1 -3.3 -38.7 20 63 A S E +G 175 0B 65 -2,-0.4 2,-0.3 155,-0.2 155,-0.2 -0.882 36.1 163.0 -94.3 113.2 7.9 -3.2 -39.6 21 64 A L E -G 174 0B 23 153,-3.2 153,-3.1 -2,-0.6 2,-0.4 -0.794 32.3-131.5-126.7 170.2 9.3 -6.6 -40.6 22 65 A N E +G 173 0B 119 -2,-0.3 85,-0.6 151,-0.2 2,-0.3 -0.909 35.4 148.0-117.3 145.7 12.1 -8.3 -42.4 23 66 A G E -GH 172 106B 7 149,-2.4 149,-2.7 -2,-0.4 2,-0.4 -0.949 34.9-111.4-161.9-171.8 11.9 -10.9 -45.0 24 67 A D E -GH 171 105B 73 81,-1.7 81,-2.4 -2,-0.3 2,-0.6 -0.937 24.9-119.1-133.3 145.2 13.2 -12.6 -48.0 25 68 A V E + H 0 104B 2 145,-2.5 144,-2.6 -2,-0.4 79,-0.2 -0.785 48.7 155.5 -86.4 127.1 12.1 -12.8 -51.6 26 69 A D E - H 0 103B 25 77,-3.3 77,-2.4 -2,-0.6 2,-0.4 -0.617 36.0-116.1-135.0-175.8 11.6 -16.4 -52.4 27 70 A T E - H 0 102B 1 75,-0.3 75,-0.2 -2,-0.2 72,-0.1 -0.999 9.7-137.2-133.2 146.1 9.5 -18.5 -54.9 28 71 A K S S+ 0 0 104 73,-3.0 2,-0.6 -2,-0.4 -1,-0.1 0.844 94.8 51.3 -64.3 -36.6 6.6 -21.0 -54.4 29 72 A V S S+ 0 0 61 69,-0.3 69,-2.6 72,-0.2 2,-0.3 -0.886 73.4 120.8-114.0 113.5 8.0 -23.4 -57.0 30 73 A K E -O 97 0C 87 -2,-0.6 2,-0.3 67,-0.3 67,-0.2 -0.959 31.4-163.3-160.0 164.9 11.6 -24.5 -56.7 31 74 A A E -O 96 0C 25 65,-2.4 65,-2.4 -2,-0.3 2,-0.2 -0.980 22.7-114.8-155.5 147.9 13.6 -27.7 -56.3 32 75 A D E -O 95 0C 74 -2,-0.3 2,-0.7 63,-0.2 63,-0.2 -0.540 29.7-128.7 -79.8 146.4 16.9 -28.9 -55.4 33 76 A I E +O 94 0C 0 61,-2.5 60,-2.9 -2,-0.2 61,-0.6 -0.892 31.7 178.8-101.0 111.8 19.0 -30.7 -58.0 34 77 A F - 0 0 88 -2,-0.7 35,-0.4 35,-0.2 58,-0.1 -0.878 26.5-120.3-112.5 139.2 20.4 -34.1 -56.9 35 78 A P - 0 0 3 0, 0.0 33,-0.1 0, 0.0 56,-0.1 -0.232 11.8-139.0 -59.4 164.7 22.5 -36.7 -58.8 36 79 A D S S+ 0 0 139 31,-0.3 2,-0.3 54,-0.0 32,-0.1 0.264 82.5 28.5-105.0 5.7 21.1 -40.3 -59.3 37 80 A A S S- 0 0 31 51,-0.1 2,-0.3 29,-0.1 50,-0.0 -0.931 85.1 -92.3-157.9 173.7 24.5 -41.9 -58.6 38 81 A V + 0 0 94 -2,-0.3 2,-0.3 50,-0.1 50,-0.2 -0.763 66.9 73.6-103.3 142.0 27.9 -41.5 -56.7 39 82 A G E S-R 87 0D 9 48,-2.5 48,-2.9 -2,-0.3 2,-0.3 -0.995 72.0 -41.9 155.0-164.2 30.9 -39.9 -58.3 40 83 A K E -RS 86 62D 116 22,-1.6 22,-1.7 -2,-0.3 2,-0.8 -0.787 50.0-112.9-109.1 142.9 32.9 -36.8 -59.4 41 84 A I E + S 0 61D 4 44,-2.3 43,-2.0 -2,-0.3 20,-0.3 -0.667 34.9 174.3 -79.7 112.4 31.5 -33.9 -61.3 42 85 A T E + 0 0 46 18,-3.1 2,-0.3 -2,-0.8 -1,-0.2 0.945 65.0 7.8 -77.6 -58.7 33.0 -33.9 -64.8 43 86 A S E - S 0 60D 32 17,-0.8 17,-2.2 40,-0.1 2,-0.5 -0.947 54.9-152.2-129.0 149.7 31.1 -31.0 -66.5 44 87 A L E - S 0 59D 46 -2,-0.3 15,-0.3 15,-0.2 39,-0.1 -0.968 9.0-174.7-116.9 113.4 28.6 -28.3 -65.4 45 88 A R + 0 0 148 13,-2.4 2,-0.3 -2,-0.5 14,-0.2 -0.020 60.3 71.4 -98.2 30.1 26.3 -27.3 -68.2 46 89 A I - 0 0 13 12,-0.2 2,-0.3 6,-0.0 6,-0.0 -0.981 51.8-171.5-141.3 152.6 24.6 -24.4 -66.3 47 90 A K > - 0 0 166 -2,-0.3 3,-2.1 31,-0.0 29,-0.3 -0.928 49.3 -70.8-130.5 165.4 25.3 -21.0 -64.9 48 91 A L T 3 S+ 0 0 53 -2,-0.3 29,-0.2 1,-0.3 3,-0.1 -0.217 120.3 20.9 -51.0 136.2 23.3 -18.8 -62.6 49 92 A G T 3 S+ 0 0 49 27,-3.0 -1,-0.3 1,-0.3 28,-0.1 0.317 88.1 140.2 91.7 -10.4 20.2 -17.4 -64.3 50 93 A A < - 0 0 32 -3,-2.1 26,-2.6 26,-0.2 2,-0.4 -0.417 51.0-128.6 -73.3 145.3 20.1 -20.1 -67.0 51 94 A Y E -P 75 0C 119 24,-0.2 2,-0.3 -3,-0.1 24,-0.2 -0.757 31.2-178.5 -89.8 133.4 16.8 -21.4 -68.0 52 95 A V E -P 74 0C 1 22,-3.0 22,-2.3 -2,-0.4 2,-0.3 -0.957 16.6-135.2-133.2 154.5 16.5 -25.2 -68.0 53 96 A Q > - 0 0 119 -2,-0.3 3,-2.2 20,-0.2 17,-0.3 -0.790 39.8 -80.4-108.8 155.7 13.7 -27.7 -68.8 54 97 A K T 3 S+ 0 0 154 -2,-0.3 19,-0.1 1,-0.3 3,-0.1 -0.245 118.1 13.6 -50.4 125.9 12.5 -30.7 -67.0 55 98 A G T 3 S+ 0 0 28 15,-2.8 -1,-0.3 1,-0.3 3,-0.1 0.075 90.4 140.5 97.5 -22.4 14.9 -33.6 -67.8 56 99 A Q < - 0 0 73 -3,-2.2 14,-2.5 13,-0.2 2,-0.5 -0.161 59.4-109.7 -61.3 149.4 17.6 -31.5 -69.3 57 100 A I E + T 0 69D 46 12,-0.2 12,-0.2 1,-0.2 -1,-0.1 -0.677 41.0 167.9 -85.3 123.3 21.2 -32.5 -68.5 58 101 A V E + 0 0 0 10,-2.8 -13,-2.4 -2,-0.5 2,-0.3 0.602 64.2 3.8-111.6 -20.2 22.8 -29.9 -66.2 59 102 A A E -ST 44 68D 0 9,-1.5 9,-3.1 -15,-0.3 2,-0.4 -0.978 60.7-134.8-157.5 173.3 25.9 -31.8 -65.2 60 103 A T E -ST 43 67D 9 -17,-2.2 -18,-3.1 -2,-0.3 -17,-0.8 -0.986 14.1-158.8-136.6 139.8 27.9 -35.0 -65.8 61 104 A L E -ST 41 66D 1 5,-3.7 5,-2.1 -2,-0.4 -20,-0.2 -0.860 12.0-147.9-116.2 156.5 29.6 -37.5 -63.4 62 105 A D E S 40 0D 79 -22,-1.7 -22,-1.6 -2,-0.3 -2,-0.0 -0.985 360.0 360.0-112.3 116.7 32.5 -40.1 -63.6 63 106 A P 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 0.965 360.0 360.0 -79.5 360.0 31.9 -43.1 -61.2 64 ! 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 65 115 A K 0 0 174 0, 0.0 -3,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 117.6 29.5 -41.4 -67.3 66 116 A S E -T 61 0D 27 -5,-2.1 -5,-3.7 -28,-0.0 2,-0.3 -0.881 360.0-137.1-110.0 139.1 26.3 -40.4 -65.5 67 117 A P E -T 60 0D 46 0, 0.0 2,-0.5 0, 0.0 -31,-0.3 -0.765 4.0-147.5 -97.1 138.1 24.0 -37.4 -66.3 68 118 A V E -T 59 0D 0 -9,-3.1 -10,-2.8 -2,-0.3 -9,-1.5 -0.913 25.8-161.3-100.5 127.6 22.5 -35.0 -63.6 69 119 A R E -T 57 0D 128 -2,-0.5 -12,-0.2 -35,-0.4 -35,-0.2 -0.867 21.7-107.0-117.4 148.5 19.1 -33.8 -64.8 70 120 A A - 0 0 4 -14,-2.5 -15,-2.8 -2,-0.3 -14,-0.1 -0.487 21.3-154.8 -68.3 136.5 16.9 -30.9 -63.9 71 121 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.657 75.0 13.4 -90.0 -20.0 13.8 -32.1 -62.0 72 122 A I S S- 0 0 43 -41,-0.1 2,-0.4 -19,-0.1 -17,-0.1 -0.916 84.9 -97.4-140.0 174.2 11.6 -29.2 -63.0 73 123 A S S S+ 0 0 34 -2,-0.3 2,-0.3 -20,-0.1 -20,-0.2 -0.776 71.5 77.0 -89.5 137.5 11.6 -26.4 -65.5 74 124 A G E S-P 52 0C 2 -22,-2.3 -22,-3.0 -2,-0.4 2,-0.3 -0.983 74.4 -39.9 161.9-151.0 12.8 -22.9 -64.5 75 125 A Y E -PQ 51 97C 81 22,-2.9 22,-2.2 -2,-0.3 2,-0.8 -0.722 48.7-110.6-110.6 147.1 15.8 -20.9 -63.7 76 126 A I E + Q 0 96C 3 -26,-2.6 -27,-3.0 -2,-0.3 20,-0.3 -0.623 35.1 174.3 -78.5 112.9 19.0 -21.7 -62.0 77 127 A L E - 0 0 16 18,-2.4 2,-0.3 -2,-0.8 323,-0.3 0.728 65.9 -1.5 -87.2 -26.4 18.9 -19.7 -58.6 78 128 A N E - Q 0 95C 34 17,-1.1 17,-2.7 320,-0.1 2,-0.4 -0.954 50.4-152.0-164.4 149.5 22.1 -21.1 -57.2 79 129 A I E + Q 0 94C 40 -2,-0.3 15,-0.3 15,-0.3 14,-0.1 -0.991 13.4 178.3-126.3 121.3 24.9 -23.6 -57.9 80 130 A T + 0 0 60 13,-2.4 2,-0.3 -2,-0.4 14,-0.2 -0.080 57.6 66.6-118.2 32.3 26.5 -25.1 -54.7 81 131 A K - 0 0 48 12,-0.4 2,-0.3 10,-0.0 6,-0.0 -0.989 63.9-142.9-157.3 145.2 29.0 -27.5 -56.3 82 132 A K > - 0 0 119 -2,-0.3 3,-1.1 1,-0.1 -41,-0.3 -0.731 34.7 -91.9-111.8 155.2 32.2 -27.2 -58.3 83 133 A I T 3 S+ 0 0 112 -2,-0.3 -41,-0.2 1,-0.2 3,-0.1 -0.483 116.3 33.9 -56.4 131.9 33.7 -29.2 -61.2 84 134 A G T 3 S+ 0 0 35 -43,-2.0 -1,-0.2 1,-0.4 -42,-0.1 -0.189 87.3 119.9 110.6 -42.5 36.0 -31.7 -59.3 85 135 A E < - 0 0 55 -3,-1.1 -44,-2.3 -45,-0.1 -1,-0.4 -0.183 62.4-121.6 -60.9 149.3 33.9 -32.3 -56.2 86 136 A T E -R 40 0D 70 -46,-0.2 2,-0.3 -3,-0.1 -46,-0.2 -0.686 37.5-178.1 -89.7 148.1 32.7 -35.8 -55.3 87 137 A V E -R 39 0D 4 -48,-2.9 -48,-2.5 -2,-0.3 -6,-0.0 -0.971 18.7-162.5-150.1 154.5 28.9 -36.2 -54.9 88 138 A N > - 0 0 55 -2,-0.3 3,-3.2 -50,-0.2 -50,-0.1 -0.822 49.5 -80.6-134.4 176.1 26.0 -38.6 -54.0 89 139 A P T 3 S+ 0 0 53 0, 0.0 -51,-0.1 0, 0.0 -55,-0.1 0.510 129.0 48.8 -64.6 0.9 22.3 -38.8 -54.5 90 140 A Q T 3 S+ 0 0 141 -56,-0.1 2,-0.5 2,-0.0 -54,-0.0 0.262 82.4 111.4-118.9 15.8 21.7 -36.5 -51.5 91 141 A S < - 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