==== 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 4KKS . 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 . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 39.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 2 0.7 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 . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 5 1 6 2 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 0 1 0 1 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 43 A S 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.9 0.9 -14.3 -11.3 2 44 A Y + 0 0 203 1,-0.3 2,-0.3 257,-0.0 257,-0.1 0.317 360.0 117.3 74.4 0.2 1.2 -17.7 -9.4 3 45 A R S S- 0 0 74 255,-0.1 -1,-0.3 257,-0.0 257,-0.2 -0.720 71.1-117.8 -96.4 146.2 3.6 -15.8 -7.0 4 46 A F E -a 260 0A 70 255,-1.4 257,-0.9 -2,-0.3 2,-0.1 -0.683 31.6-138.0 -86.6 128.5 2.9 -15.3 -3.3 5 47 A P E -a 261 0A 79 0, 0.0 2,-0.3 0, 0.0 257,-0.2 -0.329 24.2-176.9 -86.3 169.8 2.5 -11.6 -2.3 6 48 A V E -a 262 0A 6 255,-2.3 257,-2.5 -2,-0.1 258,-0.6 -0.983 32.5-138.7-156.3 162.3 3.9 -9.9 0.9 7 49 A I E -aB 264 249A 35 242,-1.3 241,-2.2 -2,-0.3 242,-1.2 -0.991 36.7-167.3-118.2 134.4 4.4 -6.9 3.2 8 50 A A E -aB 265 247A 0 256,-1.9 258,-2.8 -2,-0.4 2,-0.4 -0.666 15.6-124.1-118.0 171.2 8.0 -6.6 4.6 9 51 A M E -aB 266 246A 5 237,-2.8 2,-2.0 -2,-0.2 237,-1.7 -0.983 15.0-133.0-124.3 132.6 9.9 -4.7 7.3 10 52 A K E -aB 267 245A 103 256,-2.6 258,-0.6 -2,-0.4 235,-0.2 -0.549 45.9-138.6 -75.6 75.2 13.0 -2.5 6.9 11 53 A V - 0 0 0 -2,-2.0 232,-2.9 233,-1.9 2,-0.3 0.010 24.2-169.3 -55.8 139.4 14.6 -4.2 9.8 12 54 A K E -G 194 0B 51 182,-0.6 182,-1.6 230,-0.2 2,-0.3 -0.929 24.4-116.0-130.4 149.4 16.6 -2.2 12.4 13 55 A K E +G 193 0B 75 -2,-0.3 180,-0.2 180,-0.2 2,-0.2 -0.680 53.5 135.7 -80.0 139.1 18.9 -2.8 15.4 14 56 A G E -G 192 0B 4 178,-2.7 178,-2.4 -2,-0.3 2,-0.5 -0.825 51.5 -69.5-160.4-163.0 17.5 -1.7 18.8 15 57 A I E - 0 0 41 255,-0.3 259,-0.9 -2,-0.2 2,-0.5 -0.939 30.9-170.7-115.5 124.9 16.9 -2.5 22.4 16 58 A L E -G 189 0B 0 173,-1.9 173,-3.8 -2,-0.5 2,-0.4 -0.979 16.6-156.7-114.2 129.0 14.5 -5.1 23.7 17 59 A S E -G 188 0B 0 -2,-0.5 2,-0.4 171,-0.3 171,-0.2 -0.839 10.4-140.7-114.8 138.9 13.9 -5.0 27.4 18 60 A D E +G 187 0B 45 169,-1.9 169,-1.3 -2,-0.4 168,-1.0 -0.794 31.5 171.0 -91.1 140.6 12.8 -7.7 29.8 19 61 A Y E -G 185 0B 24 -2,-0.4 2,-0.4 166,-0.2 166,-0.2 -0.991 33.3-122.9-147.8 155.4 10.4 -6.6 32.6 20 62 A L E -G 184 0B 29 164,-2.6 164,-2.2 -2,-0.3 2,-0.8 -0.842 23.6-137.1 -91.2 132.5 8.1 -7.8 35.3 21 63 A S E +G 183 0B 95 -2,-0.4 2,-0.2 162,-0.2 162,-0.2 -0.816 39.2 167.0 -90.1 108.9 4.5 -6.8 35.2 22 64 A L E -G 182 0B 21 160,-3.6 160,-3.0 -2,-0.8 2,-0.4 -0.743 32.0-131.8-119.7 165.6 3.6 -5.8 38.8 23 65 A N E +G 181 0B 127 -2,-0.2 92,-0.5 158,-0.2 2,-0.3 -0.951 34.0 159.6-115.0 140.4 0.8 -4.1 40.7 24 66 A G E -G 180 0B 3 156,-2.9 156,-2.8 -2,-0.4 2,-0.4 -0.974 31.7-122.8-153.3 168.9 1.4 -1.3 43.2 25 67 A D E -GH 179 113B 80 88,-1.5 88,-1.9 -2,-0.3 2,-0.6 -0.893 26.6-118.5-117.0 145.2 -0.1 1.6 45.1 26 68 A V E + H 0 112B 2 152,-2.7 151,-3.0 -2,-0.4 86,-0.2 -0.725 48.1 164.2 -83.8 118.3 1.1 5.2 45.2 27 69 A D E - H 0 111B 27 84,-3.6 84,-2.4 -2,-0.6 2,-0.3 -0.627 30.2-130.0-122.3-179.3 1.9 5.9 48.8 28 70 A T E - H 0 110B 2 82,-0.3 82,-0.2 -2,-0.2 3,-0.1 -0.992 14.1-134.3-138.8 146.6 3.8 8.6 50.8 29 71 A K S S+ 0 0 128 80,-1.8 2,-0.5 -2,-0.3 81,-0.1 0.682 96.6 49.8 -74.6 -19.7 6.5 8.1 53.4 30 72 A V S S+ 0 0 61 76,-0.3 76,-2.3 79,-0.1 2,-0.3 -0.912 75.5 122.2-126.9 98.9 4.9 10.7 55.7 31 73 A K E -O 105 0C 108 -2,-0.5 2,-0.3 74,-0.3 74,-0.3 -0.969 28.6-172.3-151.2 168.0 1.1 10.4 56.5 32 74 A A E -O 104 0C 30 72,-2.2 72,-2.8 -2,-0.3 2,-0.3 -0.971 26.5-114.6-166.1 142.2 -1.3 10.0 59.4 33 75 A D E -O 103 0C 78 -2,-0.3 2,-0.8 70,-0.2 70,-0.2 -0.620 30.0-126.1 -82.5 138.0 -5.0 9.4 60.0 34 76 A I E -O 102 0C 1 68,-3.1 67,-2.2 -2,-0.3 68,-0.5 -0.799 32.3-174.9 -89.4 111.6 -7.0 12.2 61.6 35 77 A F - 0 0 96 -2,-0.8 42,-0.3 42,-0.2 65,-0.1 -0.897 19.3-127.2-107.2 134.3 -8.8 10.7 64.7 36 78 A P - 0 0 5 0, 0.0 63,-0.1 0, 0.0 40,-0.1 -0.360 4.6-141.0 -74.1 159.2 -11.3 12.7 66.8 37 79 A D S S+ 0 0 135 38,-0.4 2,-0.2 37,-0.3 39,-0.1 0.807 83.0 46.8 -86.6 -33.1 -11.0 13.0 70.6 38 80 A A S S- 0 0 18 36,-0.5 2,-0.3 58,-0.1 36,-0.1 -0.642 81.5-116.0-108.7 161.3 -14.7 12.7 71.3 39 81 A V + 0 0 85 -2,-0.2 2,-0.3 57,-0.1 57,-0.2 -0.756 66.4 83.3 -88.5 144.2 -17.6 10.5 70.2 40 82 A G E -R 95 0D 0 55,-1.7 55,-2.5 -2,-0.3 2,-0.3 -0.982 69.7 -42.6 153.2-166.8 -20.3 12.3 68.2 41 83 A K E -R 94 0D 109 -2,-0.3 22,-0.6 53,-0.2 2,-0.5 -0.777 45.9-115.3-112.3 137.5 -21.7 13.8 65.0 42 84 A I E +S 62 0E 4 51,-2.1 50,-1.7 -2,-0.3 20,-0.3 -0.581 34.8 170.3 -74.9 117.6 -20.0 15.8 62.2 43 85 A T E + 0 0 73 18,-2.5 2,-0.3 -2,-0.5 19,-0.2 0.711 64.0 5.3-102.2 -28.1 -21.5 19.3 62.2 44 86 A S E -S 61 0E 39 17,-1.0 17,-2.1 46,-0.1 2,-0.5 -0.986 54.8-145.4-152.6 151.6 -19.0 21.0 59.8 45 87 A L E +S 60 0E 45 -2,-0.3 15,-0.2 15,-0.2 14,-0.0 -0.981 11.9 179.7-114.0 122.2 -16.1 20.2 57.6 46 88 A R + 0 0 141 13,-3.4 2,-0.3 -2,-0.5 14,-0.2 0.005 61.1 81.0-107.8 25.5 -13.4 22.9 57.3 47 89 A I - 0 0 5 12,-0.2 2,-0.3 6,-0.0 12,-0.0 -0.972 52.7-170.3-132.2 148.2 -11.3 20.9 54.9 48 90 A K > - 0 0 147 -2,-0.3 3,-1.8 38,-0.0 36,-0.3 -0.895 44.7 -89.3-120.6 156.6 -11.2 20.1 51.3 49 91 A L T 3 S+ 0 0 110 -2,-0.3 36,-0.2 1,-0.2 3,-0.1 -0.540 118.0 30.7 -60.9 128.5 -9.1 17.5 49.5 50 92 A G T 3 S+ 0 0 50 34,-1.9 -1,-0.2 1,-0.3 35,-0.1 0.090 88.1 133.8 109.7 -18.9 -5.9 19.3 48.6 51 93 A A < - 0 0 34 -3,-1.8 33,-1.9 32,-0.1 2,-0.3 -0.341 51.7-134.0 -73.0 139.7 -5.8 21.7 51.5 52 94 A Y E -P 83 0C 114 31,-0.2 2,-0.3 -3,-0.1 31,-0.2 -0.738 26.7-168.0 -87.5 142.5 -2.7 22.4 53.6 53 95 A V E -P 82 0C 0 29,-2.4 29,-1.9 -2,-0.3 2,-0.2 -0.990 18.3-127.5-135.9 144.8 -3.2 22.3 57.3 54 96 A Q > - 0 0 118 -2,-0.3 3,-2.1 27,-0.2 24,-0.3 -0.556 45.5 -89.4 -80.9 150.3 -1.1 23.3 60.4 55 97 A K T 3 S+ 0 0 152 1,-0.3 26,-0.1 -2,-0.2 -1,-0.1 -0.395 117.3 17.7 -57.4 131.5 -0.6 20.8 63.1 56 98 A G T 3 S+ 0 0 27 22,-2.9 -1,-0.3 1,-0.3 3,-0.1 0.298 90.6 145.9 86.6 -8.4 -3.4 21.2 65.6 57 99 A Q < - 0 0 60 -3,-2.1 21,-2.0 21,-0.1 2,-0.3 -0.316 57.8-107.7 -63.0 141.1 -5.6 23.1 63.2 58 100 A I E + T 0 77E 47 19,-0.2 19,-0.2 1,-0.2 -1,-0.1 -0.577 44.8 166.6 -71.6 127.6 -9.3 22.5 63.5 59 101 A V E + 0 0 0 17,-2.8 -13,-3.4 1,-0.4 2,-0.3 0.732 61.8 14.8-111.1 -38.8 -10.5 20.4 60.5 60 102 A A E -ST 45 76E 0 16,-0.8 16,-2.3 -15,-0.2 -1,-0.4 -0.955 64.6-144.2-138.0 157.9 -14.0 19.2 61.6 61 103 A T E -S 44 0E 43 -17,-2.1 -18,-2.5 -2,-0.3 -17,-1.0 -0.804 16.7-171.9-121.2 160.1 -16.6 20.2 64.2 62 104 A L E -S 42 0E 14 -2,-0.3 -20,-0.2 -20,-0.3 12,-0.1 -0.702 40.0 -53.0-135.1-176.5 -19.1 18.1 66.3 63 105 A D - 0 0 20 -22,-0.6 3,-0.2 -2,-0.2 10,-0.2 -0.483 43.5-150.1 -61.3 137.1 -22.0 18.2 68.7 64 106 A P + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.822 66.7 86.9 -51.9 -57.1 -21.1 20.4 71.8 65 107 A S + 0 0 58 7,-0.3 7,-0.1 2,-0.0 -25,-0.0 -0.466 38.7 147.8-168.2 -66.8 -23.0 18.7 73.5 66 108 A R - 0 0 123 -3,-0.2 4,-0.1 5,-0.1 6,-0.0 0.417 55.3 -97.5 -48.4 158.1 -24.1 15.8 75.7 67 109 A P S S+ 0 0 144 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.322 116.7 10.8 -3.2 -79.2 -26.9 15.8 78.6 68 110 A G S S+ 0 0 59 1,-0.0 2,-0.5 3,-0.0 4,-0.1 0.462 82.0 169.2 123.9-127.6 -24.7 16.1 80.7 69 111 A S + 0 0 56 2,-0.1 -3,-0.1 1,-0.1 4,-0.1 -0.942 17.0 175.1 105.5-120.0 -21.1 16.9 79.9 70 112 A V S S+ 0 0 119 -2,-0.5 2,-0.8 -4,-0.1 -1,-0.1 -0.890 88.5 45.0 -86.2 3.6 -19.0 17.8 82.1 71 113 A Y S S- 0 0 203 2,-0.1 2,-0.9 3,-0.0 -2,-0.1 -0.782 77.8-166.9-104.0 79.6 -16.3 17.8 79.5 72 114 A L - 0 0 125 -2,-0.8 -7,-0.3 -4,-0.1 2,-0.2 -0.653 39.8-172.2 -73.1 105.6 -18.1 19.7 76.7 73 115 A K + 0 0 121 -2,-0.9 -2,-0.1 -10,-0.2 -4,-0.0 -0.902 16.8 9.3-164.3 169.5 -15.7 18.9 73.9 74 116 A S - 0 0 11 -2,-0.2 -36,-0.5 1,-0.2 -37,-0.3 0.528 12.2-163.5-155.0 133.5 -13.9 18.5 71.4 75 117 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 -38,-0.4 -0.047 44.4-103.7 -56.2 162.2 -13.1 19.8 67.9 76 118 A V E -T 60 0E 2 -16,-2.3 -17,-2.8 -40,-0.1 -16,-0.8 -0.828 39.8-166.1 -91.9 126.9 -11.1 17.6 65.5 77 119 A R E -T 58 0E 131 -2,-0.5 -42,-0.2 -42,-0.3 -19,-0.2 -0.923 26.7-107.6-119.1 139.0 -7.5 18.6 65.1 78 120 A A - 0 0 2 -21,-2.0 -22,-2.9 -2,-0.4 -21,-0.1 -0.427 21.6-148.1 -56.1 119.8 -4.8 17.6 62.6 79 121 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.759 79.7 1.8 -66.8 -25.3 -2.2 15.3 64.3 80 122 A I S S- 0 0 52 -48,-0.1 2,-0.2 -26,-0.1 -24,-0.1 -0.923 87.0 -88.7-146.3 174.5 0.5 16.7 62.0 81 123 A S + 0 0 41 -2,-0.3 2,-0.3 -26,-0.1 -27,-0.2 -0.588 69.1 89.1 -84.1 149.1 1.0 19.3 59.2 82 124 A G E S-P 53 0C 3 -29,-1.9 -29,-2.4 -2,-0.2 2,-0.3 -0.989 71.1 -47.8 159.7-163.5 0.5 18.4 55.6 83 125 A Y E -PQ 52 105C 84 22,-2.8 22,-1.9 -2,-0.3 2,-0.8 -0.745 52.0-108.7-103.2 149.5 -2.0 18.1 52.8 84 126 A I E + Q 0 104C 5 -33,-1.9 -34,-1.9 -2,-0.3 20,-0.2 -0.714 39.2 173.9 -79.1 112.6 -5.4 16.5 53.0 85 127 A L E + 0 0 35 18,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.566 62.6 9.3 -96.1 -15.2 -4.9 13.3 51.0 86 128 A N E - Q 0 103C 70 17,-1.1 17,-1.8 -38,-0.1 2,-0.5 -0.947 51.7-153.7-163.3 142.5 -8.3 11.8 51.7 87 129 A I E + Q 0 102C 27 -2,-0.3 15,-0.3 15,-0.2 14,-0.1 -0.969 18.1 169.0-123.0 118.0 -11.8 12.5 53.2 88 130 A T + 0 0 42 13,-2.6 2,-0.3 -2,-0.5 14,-0.2 0.588 57.5 58.9-105.3 -14.3 -13.6 9.5 54.5 89 131 A K - 0 0 42 12,-1.2 2,-0.2 10,-0.1 12,-0.0 -0.784 60.2-160.9-117.3 162.2 -16.5 11.1 56.5 90 132 A K > - 0 0 114 -2,-0.3 3,-1.2 -48,-0.0 2,-0.3 -0.719 41.2 -64.9-129.7 176.1 -19.4 13.4 55.6 91 133 A I T 3 S+ 0 0 121 1,-0.2 -48,-0.2 -2,-0.2 3,-0.1 -0.542 119.3 25.2 -71.2 126.4 -21.8 15.8 57.4 92 134 A G T 3 S+ 0 0 37 -50,-1.7 -1,-0.2 1,-0.3 2,-0.1 -0.008 89.7 126.2 110.0 -26.4 -24.2 13.9 59.7 93 135 A E < - 0 0 71 -3,-1.2 -51,-2.1 -52,-0.1 -1,-0.3 -0.369 55.2-129.4 -75.2 144.6 -21.9 10.8 60.3 94 136 A T E -R 41 0D 86 -53,-0.2 2,-0.4 -2,-0.1 -53,-0.2 -0.645 24.9-164.5 -94.4 148.5 -21.1 9.7 63.8 95 137 A V E -R 40 0D 3 -55,-2.5 -55,-1.7 -2,-0.3 6,-0.0 -0.991 14.9-160.9-140.1 135.9 -17.5 9.0 64.9 96 138 A N > - 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