==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-APR-03 1OXX . COMPND 2 MOLECULE: ABC TRANSPORTER, ATP BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR G.VERDON,S.-V.ALBERS,N.VAN OOSTERWIJK,B.W.DIJKSTRA,A.J.M.DRI . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 6 1.7 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 2 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 3 3 2 1 1 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 0 1 1 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 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 1 K M 0 0 67 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -15.1 19.7 13.3 1.6 2 2 K V - 0 0 3 158,-0.4 29,-0.4 27,-0.2 2,-0.4 -0.996 360.0-137.7-139.1 140.8 16.7 14.9 3.3 3 3 K R - 0 0 81 -2,-0.3 62,-3.2 27,-0.2 2,-0.5 -0.779 18.8-153.6 -89.6 137.5 16.2 18.2 5.0 4 4 K I E -AB 28 64A 3 24,-2.5 24,-3.2 -2,-0.4 2,-0.6 -0.951 7.5-168.2-117.3 121.1 14.1 18.1 8.2 5 5 K I E -AB 27 63A 41 58,-2.3 58,-2.5 -2,-0.5 2,-0.6 -0.942 0.8-169.6-109.0 116.1 12.2 21.2 9.3 6 6 K V E -AB 26 62A 2 20,-3.1 20,-1.6 -2,-0.6 2,-0.6 -0.944 12.9-169.5-103.1 110.0 10.8 20.9 12.8 7 7 K K E - B 0 61A 99 54,-2.9 54,-2.5 -2,-0.6 18,-0.2 -0.917 60.5 -38.2-115.5 110.6 8.4 23.9 13.2 8 8 K N E S- 0 0 56 -2,-0.6 2,-0.5 52,-0.2 15,-0.3 0.852 81.1-174.9 45.8 46.0 7.0 24.9 16.6 9 9 K V E +A 24 0A 0 15,-2.3 15,-2.6 51,-0.1 2,-0.3 -0.587 9.8 170.3 -81.0 122.5 6.6 21.2 17.5 10 10 K S E - B 0 59A 12 49,-2.7 48,-2.7 -2,-0.5 49,-1.2 -0.913 12.9-167.9-124.0 154.6 4.9 20.5 20.8 11 11 K K E -A 21 0A 23 10,-2.2 9,-1.8 -2,-0.3 10,-1.7 -0.966 6.6-175.6-145.6 123.7 3.7 17.2 22.3 12 12 K V E -A 19 0A 49 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.862 3.6-170.5-118.3 154.3 1.4 16.7 25.3 13 13 K F E > > +A 18 0A 81 5,-2.5 5,-2.0 -2,-0.3 3,-1.6 -0.813 65.9 42.9-128.7 174.2 0.2 13.7 27.1 14 14 K K G > 5S- 0 0 157 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.886 132.9 -61.0 52.5 43.9 -2.4 13.2 29.9 15 15 K K G 3 5S- 0 0 220 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.694 109.6 -40.9 58.7 24.3 -4.8 15.6 28.1 16 16 K G G < 5S+ 0 0 36 -3,-1.6 -1,-0.3 2,-0.3 -2,-0.2 0.162 114.4 108.1 114.8 -15.5 -2.3 18.5 28.4 17 17 K K T < 5S+ 0 0 187 -3,-1.7 2,-0.5 -4,-0.2 -3,-0.2 0.831 79.5 48.3 -66.3 -32.6 -1.1 17.9 31.9 18 18 K V E < -A 13 0A 59 -5,-2.0 -5,-2.5 0, 0.0 2,-0.7 -0.951 68.8-163.4-110.9 124.8 2.3 16.6 30.7 19 19 K V E +A 12 0A 69 -2,-0.5 -7,-0.2 -7,-0.2 3,-0.1 -0.897 12.8 173.7-108.8 99.5 4.2 18.7 28.1 20 20 K A E S+ 0 0 16 -9,-1.8 2,-0.4 -2,-0.7 -8,-0.2 0.825 73.1 21.4 -77.0 -36.1 6.8 16.4 26.7 21 21 K L E -A 11 0A 1 -10,-1.7 -10,-2.2 25,-0.1 2,-0.5 -0.996 69.4-162.0-135.5 134.6 8.0 18.8 24.0 22 22 K D E - 0 0 67 195,-2.9 197,-0.4 -2,-0.4 -12,-0.2 -0.912 65.7 -41.4-124.9 100.9 7.5 22.6 24.1 23 23 K N E S- 0 0 82 -2,-0.5 2,-0.4 -15,-0.3 -13,-0.2 0.895 72.7-170.5 49.2 57.7 7.8 24.6 20.8 24 24 K V E -A 9 0A 1 -15,-2.6 -15,-2.3 -17,-0.1 2,-0.4 -0.643 6.0-174.0 -82.9 128.2 10.8 22.8 19.4 25 25 K N E + 0 0 63 -2,-0.4 2,-0.3 -17,-0.2 -18,-0.2 -0.978 15.9 148.4-128.0 118.0 12.3 24.5 16.3 26 26 K I E -A 6 0A 8 -20,-1.6 -20,-3.1 -2,-0.4 2,-0.6 -0.986 30.6-156.7-147.7 137.7 15.2 22.9 14.3 27 27 K N E -A 5 0A 82 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.960 18.1-166.0-114.0 105.0 16.2 22.9 10.7 28 28 K I E -A 4 0A 4 -24,-3.2 -24,-2.5 -2,-0.6 3,-0.1 -0.840 16.5-133.9 -95.1 125.7 18.4 19.8 10.0 29 29 K E > - 0 0 84 -2,-0.5 3,-2.2 -26,-0.2 -27,-0.2 -0.326 31.0 -80.2 -82.7 159.1 20.2 20.0 6.7 30 30 K N T 3 S+ 0 0 92 1,-0.3 -27,-0.2 -29,-0.1 -1,-0.1 -0.375 116.7 4.9 -56.1 123.5 20.5 17.3 4.1 31 31 K G T 3 S+ 0 0 22 -29,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.493 95.1 147.2 80.4 4.2 23.2 14.8 5.1 32 32 K E < - 0 0 37 -3,-2.2 162,-2.9 -30,-0.2 2,-0.7 -0.435 48.0-136.6 -74.9 145.9 23.7 16.4 8.5 33 33 K R E +e 194 0B 28 160,-0.2 176,-2.7 -2,-0.1 177,-1.4 -0.925 34.8 178.8-100.8 103.1 24.7 14.3 11.5 34 34 K F E -ef 195 210B 0 160,-3.0 162,-2.2 -2,-0.7 2,-0.3 -0.905 9.3-166.5-112.6 136.6 22.4 15.7 14.3 35 35 K G E -ef 196 211B 0 175,-2.4 177,-2.7 -2,-0.4 2,-0.4 -0.871 11.0-152.3-120.3 156.4 22.2 14.6 17.8 36 36 K I E -ef 197 212B 0 160,-2.3 162,-1.8 -2,-0.3 2,-0.3 -0.998 13.9-177.1-125.4 128.1 19.9 15.2 20.8 37 37 K L E +ef 198 213B 2 175,-2.4 177,-3.1 -2,-0.4 162,-0.1 -0.909 19.8 132.2-115.3 149.7 21.0 15.0 24.4 38 38 K G - 0 0 5 160,-0.5 177,-0.2 -2,-0.3 6,-0.1 -0.918 61.5-101.8 174.4 162.7 18.8 15.5 27.5 39 39 K P S S+ 0 0 74 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.687 98.5 75.5 -69.8 -20.3 17.7 14.2 30.9 40 40 K S > - 0 0 62 174,-0.4 4,-2.7 1,-0.2 5,-0.3 -0.803 49.8-178.6-106.9 103.1 14.5 12.6 29.6 41 41 K G H > S+ 0 0 41 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.936 91.6 51.9 -54.9 -45.7 14.7 9.3 27.7 42 42 K A H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 111.0 46.0 -58.2 -45.8 11.0 9.5 27.2 43 43 K G H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 114.1 47.3 -67.1 -43.0 11.0 13.0 25.8 44 44 K K H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.897 114.0 48.2 -63.8 -41.7 13.9 12.4 23.5 45 45 K T H X S+ 0 0 40 -4,-2.8 4,-2.9 -5,-0.3 -2,-0.2 0.869 107.8 55.6 -68.0 -35.7 12.2 9.2 22.4 46 46 K T H X S+ 0 0 14 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.947 108.8 47.6 -59.1 -47.7 9.0 11.2 21.9 47 47 K F H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.946 112.9 48.6 -56.4 -46.7 10.9 13.5 19.6 48 48 K M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.889 108.5 52.9 -63.5 -39.6 12.3 10.6 17.7 49 49 K R H X>S+ 0 0 104 -4,-2.9 5,-2.0 2,-0.2 4,-1.7 0.855 108.2 51.9 -64.7 -34.1 9.0 8.9 17.4 50 50 K I H <5S+ 0 0 2 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.915 110.0 47.8 -68.5 -43.4 7.6 12.1 15.9 51 51 K I H <5S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.2 48.3 -62.1 -37.5 10.5 12.3 13.3 52 52 K A H <5S- 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.800 113.0-118.7 -72.6 -28.2 9.8 8.6 12.5 53 53 K G T <5S+ 0 0 4 -4,-1.7 -3,-0.2 2,-0.2 -4,-0.1 0.544 84.4 116.7 97.5 10.3 6.1 9.1 12.1 54 54 K L S S-BC 4 67A 2 3,-2.4 3,-2.5 -2,-0.4 2,-0.2 -0.985 85.7 -36.6-113.2 114.7 10.8 16.4 5.0 65 65 K D T 3 S- 0 0 47 -62,-3.2 -60,-0.2 -2,-0.6 -63,-0.1 -0.529 127.1 -35.1 56.9-127.2 12.2 18.6 2.3 66 66 K D T 3 S+ 0 0 141 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.284 114.2 112.9-103.9 18.3 9.1 20.7 1.6 67 67 K R E < -C 64 0A 126 -3,-2.5 -3,-2.4 1,-0.0 2,-0.7 -0.750 66.6-133.6 -94.3 124.9 6.7 17.9 2.2 68 68 K L E +C 63 0A 54 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.653 30.4 171.1 -74.0 114.1 4.4 18.2 5.2 69 69 K V E + 0 0 3 -7,-2.5 8,-2.2 -2,-0.7 7,-2.2 0.641 64.6 7.4-101.1 -19.8 4.5 14.9 7.0 70 70 K A E +CD 62 75A 0 -8,-1.2 -8,-2.3 5,-0.2 -1,-0.3 -0.959 63.0 175.9-160.1 148.5 2.7 15.7 10.2 71 71 K S E > -CD 61 74A 26 3,-2.3 3,-2.0 -2,-0.3 -10,-0.2 -0.900 59.2 -25.1-162.9 123.1 0.8 18.7 11.5 72 72 K N T 3 S- 0 0 81 -12,-2.6 -14,-0.2 -2,-0.3 -13,-0.2 0.831 128.2 -32.3 41.9 58.2 -1.3 19.6 14.6 73 73 K G T 3 S+ 0 0 52 -16,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.389 116.1 109.1 86.8 -2.5 -2.4 16.1 15.7 74 74 K K E < -D 71 0A 46 -3,-2.0 -3,-2.3 -17,-0.1 2,-0.6 -0.920 60.1-143.9-114.2 132.3 -2.6 14.6 12.2 75 75 K L E +D 70 0A 82 -2,-0.5 -5,-0.2 -5,-0.2 -19,-0.1 -0.793 25.4 170.0 -88.3 121.7 -0.3 12.1 10.5 76 76 K I S S+ 0 0 83 -7,-2.2 -6,-0.2 -2,-0.6 -1,-0.2 0.821 70.2 27.0-103.1 -42.9 0.0 13.1 6.9 77 77 K V S S- 0 0 33 -8,-2.2 -1,-0.4 -10,-0.1 5,-0.0 -0.987 85.5-139.3-121.0 115.1 2.8 10.8 5.6 78 78 K P > - 0 0 32 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.234 28.6 -97.8 -72.1 164.8 3.1 7.5 7.6 79 79 K P G > S+ 0 0 29 0, 0.0 3,-2.0 0, 0.0 5,-0.5 0.854 118.9 59.8 -52.3 -43.1 6.5 6.0 8.5 80 80 K E G 3 S+ 0 0 122 1,-0.3 3,-0.2 2,-0.1 -27,-0.1 0.641 107.4 47.7 -65.2 -13.1 6.7 3.5 5.6 81 81 K D G < S+ 0 0 110 -3,-1.9 -1,-0.3 1,-0.1 0, 0.0 0.318 93.8 77.9-107.3 6.7 6.5 6.4 3.1 82 82 K R S < S- 0 0 11 -3,-2.0 78,-0.2 -4,-0.2 -2,-0.1 0.385 95.9-120.8 -97.9 2.4 9.2 8.6 4.8 83 83 K K + 0 0 119 -4,-0.2 77,-2.8 1,-0.2 78,-1.7 0.922 60.4 151.7 56.1 50.3 12.4 6.9 3.6 84 84 K I E -g 161 0B 19 -5,-0.5 2,-0.4 75,-0.2 -1,-0.2 -0.826 38.1-158.3-113.3 143.9 13.6 6.2 7.1 85 85 K G E -g 162 0B 2 76,-2.2 78,-3.1 -2,-0.3 2,-0.5 -0.992 17.8-155.3-116.8 132.2 15.7 3.5 8.6 86 86 K M E +g 163 0B 37 -2,-0.4 2,-0.5 76,-0.2 78,-0.2 -0.940 21.2 178.4-116.9 129.5 15.3 2.9 12.4 87 87 K V E +g 164 0B 11 76,-2.7 78,-2.1 -2,-0.5 2,-0.4 -0.919 25.6 165.6-123.2 97.4 17.8 1.5 14.8 88 88 K F E > -g 165 0B 15 -2,-0.5 3,-2.5 3,-0.3 78,-0.2 -0.963 44.2-136.7-121.8 132.8 16.0 1.7 18.1 89 89 K Q T 3 S+ 0 0 74 76,-2.2 -1,-0.1 -2,-0.4 77,-0.1 0.859 110.1 52.2 -53.4 -34.8 17.0 -0.1 21.3 90 90 K T T 3 S+ 0 0 123 75,-0.2 2,-0.8 1,-0.2 -1,-0.3 0.453 93.0 78.3 -82.9 -4.1 13.2 -0.9 21.7 91 91 K W S < S- 0 0 81 -3,-2.5 -3,-0.3 0, 0.0 -1,-0.2 -0.806 72.0-174.8-105.5 90.7 12.9 -2.4 18.2 92 92 K A - 0 0 71 -2,-0.8 2,-0.2 1,-0.1 -2,-0.1 -0.203 30.3 -93.5 -82.2 170.6 14.4 -5.8 18.6 93 93 K L - 0 0 25 1,-0.1 -1,-0.1 2,-0.0 6,-0.1 -0.519 47.9-100.5 -74.9 152.3 15.1 -8.5 16.0 94 94 K Y > - 0 0 106 -2,-0.2 3,-1.5 1,-0.2 8,-0.1 -0.676 31.1-147.2 -75.7 119.6 12.3 -11.1 15.6 95 95 K P T 3 S+ 0 0 104 0, 0.0 44,-0.3 0, 0.0 -1,-0.2 0.744 92.2 47.2 -63.9 -28.3 13.6 -14.1 17.6 96 96 K N T 3 S+ 0 0 129 41,-0.1 2,-0.4 42,-0.1 -2,-0.0 0.060 97.2 81.6-105.2 23.8 12.0 -16.7 15.4 97 97 K L S < S- 0 0 42 -3,-1.5 -4,-0.0 39,-0.0 39,-0.0 -0.965 82.0-120.0-118.2 142.1 13.1 -15.3 12.1 98 98 K T > - 0 0 21 -2,-0.4 4,-2.7 39,-0.2 39,-0.3 -0.220 35.5 -97.6 -69.2 172.7 16.7 -15.9 10.8 99 99 K A H > S+ 0 0 0 37,-2.4 4,-2.3 34,-0.4 5,-0.2 0.933 128.3 50.7 -56.8 -44.9 19.0 -13.0 10.2 100 100 K F H > S+ 0 0 55 34,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.939 111.2 47.4 -56.5 -49.9 18.0 -13.2 6.5 101 101 K E H > S+ 0 0 88 33,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.866 110.7 52.3 -62.9 -36.2 14.3 -13.2 7.3 102 102 K N H < S+ 0 0 0 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.911 113.1 43.6 -65.2 -42.5 14.8 -10.3 9.7 103 103 K I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.854 114.6 50.0 -72.6 -33.3 16.6 -8.2 7.0 104 104 K A H >< S+ 0 0 14 -4,-2.4 3,-2.3 -5,-0.2 4,-0.4 0.721 87.2 88.6 -75.9 -23.2 14.1 -9.2 4.3 105 105 K F G >< S+ 0 0 97 -4,-1.4 3,-1.8 1,-0.3 4,-0.2 0.853 82.2 53.7 -48.2 -47.7 11.0 -8.3 6.4 106 106 K P G 3 S+ 0 0 27 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.689 104.4 58.8 -63.8 -15.5 10.8 -4.6 5.4 107 107 K L G X S+ 0 0 3 -3,-2.3 3,-1.9 1,-0.2 5,-0.5 0.462 73.1 104.6 -91.1 -1.9 10.8 -5.7 1.7 108 108 K T T < S+ 0 0 85 -3,-1.8 3,-0.2 -4,-0.4 -1,-0.2 0.828 92.9 25.1 -49.2 -45.5 7.7 -7.9 2.0 109 109 K N T 3 S+ 0 0 145 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.101 90.3 104.8-116.3 36.9 5.4 -5.4 0.3 110 110 K M S < S- 0 0 85 -3,-1.9 -1,-0.1 2,-0.1 -2,-0.1 0.103 94.0-108.8-102.9 20.6 7.9 -3.5 -1.9 111 111 K K S S+ 0 0 195 1,-0.2 2,-0.4 -3,-0.2 -2,-0.1 0.828 71.4 143.2 56.2 39.7 6.8 -5.2 -5.1 112 112 K M - 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