==== 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 1OXS . COMPND 2 MOLECULE: ABC TRANSPORTER, ATP BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR G.VERDON,S.V.ALBERS,B.W.DIJKSTRA,A.J.DRIESSEN,A.M.THUNNISSEN . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.2 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 . 26 7.4 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 . 64 18.2 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 3 1 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 2 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 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 C M 0 0 107 0, 0.0 2,-0.4 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -3.6 19.5 13.2 1.8 2 2 C V - 0 0 2 158,-0.4 29,-0.4 27,-0.2 2,-0.4 -0.997 360.0-138.2-140.5 139.9 16.5 14.9 3.3 3 3 C R - 0 0 83 -2,-0.4 62,-3.2 27,-0.2 2,-0.5 -0.777 18.9-154.1 -91.8 136.8 16.0 18.2 5.1 4 4 C I E -AB 28 64A 0 24,-2.3 24,-3.1 -2,-0.4 2,-0.6 -0.951 7.6-168.6-116.8 123.2 13.8 18.2 8.2 5 5 C I E -AB 27 63A 33 58,-2.4 58,-2.4 -2,-0.5 2,-0.6 -0.948 1.4-168.6-110.8 117.5 11.9 21.2 9.3 6 6 C V E -AB 26 62A 2 20,-3.1 20,-1.5 -2,-0.6 2,-0.6 -0.953 12.7-169.1-104.3 112.3 10.4 21.0 12.8 7 7 C K E - B 0 61A 94 54,-2.9 54,-2.4 -2,-0.6 18,-0.2 -0.918 59.9 -37.9-116.3 110.4 8.0 23.9 13.1 8 8 C N E S- 0 0 64 -2,-0.6 2,-0.4 52,-0.2 15,-0.3 0.833 80.9-176.5 45.5 47.5 6.5 24.9 16.5 9 9 C V E +A 24 0A 0 15,-2.4 15,-3.0 52,-0.1 2,-0.3 -0.576 10.2 168.4 -83.4 124.4 6.1 21.3 17.5 10 10 C S E - B 0 59A 12 49,-2.6 48,-2.5 -2,-0.4 49,-1.3 -0.936 12.4-168.9-127.2 152.2 4.5 20.5 20.7 11 11 C K E -A 21 0A 23 10,-2.2 9,-1.8 -2,-0.3 10,-1.7 -0.957 5.8-174.7-144.1 129.3 3.2 17.2 22.1 12 12 C V E -A 19 0A 48 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.831 4.2-171.0-120.8 158.7 1.0 16.7 25.1 13 13 C F E > > +A 18 0A 77 5,-2.4 5,-2.0 -2,-0.3 3,-1.6 -0.822 65.5 43.7-131.6 174.2 -0.3 13.7 26.9 14 14 C K G > 5S- 0 0 152 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.873 133.0 -59.5 51.3 41.7 -2.8 13.2 29.7 15 15 C K G 3 5S- 0 0 225 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.716 109.1 -44.3 64.8 22.6 -5.2 15.6 28.1 16 16 C G G < 5S+ 0 0 35 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.215 114.6 108.4 110.5 -13.3 -2.6 18.4 28.3 17 17 C K T < 5S+ 0 0 180 -3,-1.6 2,-0.5 -4,-0.2 -3,-0.2 0.823 78.8 51.8 -67.1 -33.0 -1.4 17.8 31.8 18 18 C V E < -A 13 0A 59 -5,-2.0 -5,-2.4 0, 0.0 2,-0.8 -0.942 69.7-164.1-106.3 119.2 1.9 16.5 30.5 19 19 C V E +A 12 0A 71 -2,-0.5 -7,-0.2 -7,-0.2 3,-0.1 -0.871 12.5 173.8-105.2 99.2 3.8 18.6 28.0 20 20 C A E S+ 0 0 14 -9,-1.8 2,-0.4 -2,-0.8 -8,-0.2 0.856 72.9 18.8 -74.7 -38.0 6.4 16.3 26.4 21 21 C L E -A 11 0A 0 -10,-1.7 -10,-2.2 25,-0.1 2,-0.5 -0.998 69.1-160.7-134.4 137.3 7.5 18.8 23.8 22 22 C D E - 0 0 61 195,-2.9 197,-0.3 -2,-0.4 -12,-0.2 -0.889 66.5 -42.4-128.8 97.9 7.0 22.6 23.9 23 23 C N E S- 0 0 77 -2,-0.5 2,-0.4 -15,-0.3 -13,-0.2 0.914 74.1-171.2 51.6 55.4 7.2 24.6 20.7 24 24 C V E -A 9 0A 2 -15,-3.0 -15,-2.4 -17,-0.1 2,-0.4 -0.658 6.5-174.6 -79.5 130.7 10.3 22.9 19.4 25 25 C N E + 0 0 75 -2,-0.4 2,-0.3 -17,-0.2 -18,-0.2 -0.983 15.8 147.0-131.2 118.6 11.9 24.5 16.3 26 26 C I E -A 6 0A 9 -20,-1.5 -20,-3.1 -2,-0.4 2,-0.5 -0.989 31.1-154.9-146.8 142.4 14.8 22.9 14.4 27 27 C N E -A 5 0A 77 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.964 17.4-164.3-118.7 111.1 15.9 22.9 10.8 28 28 C I E -A 4 0A 2 -24,-3.1 -24,-2.3 -2,-0.5 2,-0.1 -0.823 17.4-130.6 -97.1 124.5 18.1 19.8 10.1 29 29 C E > - 0 0 83 -2,-0.5 3,-2.4 -26,-0.2 -27,-0.2 -0.393 31.8 -85.2 -80.1 157.7 20.0 19.9 6.9 30 30 C N T 3 S+ 0 0 85 1,-0.3 -27,-0.2 -29,-0.1 -1,-0.1 -0.374 116.8 8.2 -60.7 127.2 20.2 17.2 4.2 31 31 C G T 3 S+ 0 0 24 -29,-0.4 -1,-0.3 129,-0.3 2,-0.1 0.500 95.3 144.0 79.5 5.6 22.9 14.8 5.3 32 32 C E < - 0 0 36 -3,-2.4 162,-2.7 -30,-0.3 2,-0.7 -0.467 48.8-137.1 -77.4 147.8 23.4 16.4 8.7 33 33 C R E +e 194 0B 24 160,-0.2 176,-2.4 -2,-0.1 177,-1.4 -0.931 33.6 178.3-101.6 109.3 24.2 14.2 11.7 34 34 C F E -ef 195 210B 0 160,-3.1 162,-2.2 -2,-0.7 2,-0.3 -0.926 9.1-166.3-118.5 138.0 22.1 15.7 14.5 35 35 C G E -ef 196 211B 0 175,-2.4 177,-2.5 -2,-0.4 2,-0.4 -0.850 9.3-152.8-122.5 157.9 21.8 14.6 18.0 36 36 C I E +ef 197 212B 1 160,-2.3 162,-1.6 -2,-0.3 2,-0.3 -1.000 14.2 178.1-127.0 130.9 19.5 15.2 21.0 37 37 C L E + f 0 213B 2 175,-2.2 177,-2.6 -2,-0.4 162,-0.1 -0.900 18.0 128.5-119.5 162.0 20.5 14.9 24.6 38 38 C G - 0 0 6 160,-0.4 177,-0.2 -2,-0.3 6,-0.1 -0.885 63.6 -93.9 163.9 163.5 18.3 15.6 27.7 39 39 C P S S+ 0 0 75 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.707 99.9 77.6 -70.4 -19.7 17.1 14.2 31.0 40 40 C S > - 0 0 63 174,-0.4 4,-2.5 1,-0.2 5,-0.3 -0.765 49.0-179.8-102.7 99.9 13.9 12.7 29.6 41 41 C G H > S+ 0 0 40 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.914 88.8 53.3 -57.1 -40.8 14.2 9.5 27.8 42 42 C A H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 109.8 45.3 -62.0 -47.5 10.4 9.6 27.2 43 43 C G H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.867 113.5 48.9 -62.6 -45.8 10.4 13.1 25.7 44 44 C K H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.894 113.4 48.5 -57.9 -41.6 13.4 12.4 23.4 45 45 C T H X S+ 0 0 37 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.906 108.5 54.0 -68.0 -35.6 11.6 9.2 22.4 46 46 C T H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.932 108.7 48.8 -59.9 -47.2 8.5 11.2 21.8 47 47 C F H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.939 112.9 47.2 -58.2 -47.0 10.5 13.5 19.5 48 48 C M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.892 109.8 53.0 -65.7 -36.0 12.0 10.5 17.6 49 49 C R H X>S+ 0 0 96 -4,-2.9 5,-1.9 1,-0.2 4,-1.5 0.867 108.2 51.5 -68.9 -34.3 8.6 8.9 17.3 50 50 C I H <5S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.923 110.1 47.9 -65.0 -44.0 7.2 12.1 15.8 51 51 C I H <5S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 113.7 49.0 -62.0 -38.3 10.0 12.2 13.2 52 52 C A H <5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.796 113.4-118.7 -70.5 -27.1 9.4 8.6 12.4 53 53 C G T <5S+ 0 0 4 -4,-1.5 -3,-0.2 2,-0.3 -4,-0.1 0.545 83.9 117.0 94.3 12.5 5.7 9.1 12.0 54 54 C L S S-BC 4 67A 3 3,-2.3 3,-2.4 -2,-0.4 -60,-0.2 -0.989 82.9 -39.1-110.8 115.5 10.6 16.4 5.0 65 65 C D T 3 S- 0 0 57 -62,-3.2 -60,-0.2 -2,-0.5 -63,-0.1 -0.467 127.4 -30.5 53.0-125.1 12.1 18.6 2.2 66 66 C D T 3 S+ 0 0 141 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.403 115.9 112.4 -98.3 6.6 9.0 20.7 1.2 67 67 C R E < -C 64 0A 121 -3,-2.4 -3,-2.3 1,-0.0 2,-0.8 -0.657 64.3-138.2 -89.2 121.3 6.6 17.8 2.1 68 68 C L E +C 63 0A 54 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.669 28.6 170.8 -76.1 112.0 4.2 18.3 5.0 69 69 C V E + 0 0 3 -7,-2.6 8,-2.3 -2,-0.8 7,-1.8 0.650 62.9 6.8 -99.0 -22.1 4.3 14.9 6.8 70 70 C A E +CD 62 75A 0 -8,-1.2 -8,-2.3 5,-0.2 -1,-0.3 -0.952 62.8 175.5-158.3 148.9 2.3 15.7 10.0 71 71 C S E > -CD 61 74A 25 3,-2.3 3,-2.3 -2,-0.3 -10,-0.2 -0.918 58.8 -23.3-163.1 121.7 0.4 18.7 11.3 72 72 C N T 3 S- 0 0 78 -12,-2.5 -14,-0.2 -2,-0.3 -13,-0.2 0.819 128.9 -31.9 47.4 53.9 -1.7 19.6 14.3 73 73 C G T 3 S+ 0 0 46 -16,-2.2 2,-0.4 1,-0.2 -1,-0.3 0.396 115.7 110.5 89.6 -1.9 -2.8 16.2 15.4 74 74 C K E < -D 71 0A 157 -3,-2.3 -3,-2.3 -17,-0.1 2,-0.7 -0.912 59.3-145.1-115.7 132.0 -2.9 14.7 11.9 75 75 C L E +D 70 0A 81 -2,-0.4 -5,-0.2 -5,-0.2 -19,-0.1 -0.809 26.3 168.5 -87.7 114.3 -0.6 12.1 10.3 76 76 C I + 0 0 83 -7,-1.8 -6,-0.2 -2,-0.7 -1,-0.2 0.862 69.8 28.6 -96.8 -44.8 -0.4 13.1 6.7 77 77 C V S S- 0 0 34 -8,-2.3 -1,-0.3 -10,-0.1 5,-0.0 -0.974 85.9-138.6-120.3 112.5 2.5 10.9 5.4 78 78 C P > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.150 27.8 -98.0 -67.9 162.5 2.8 7.6 7.3 79 79 C P G > S+ 0 0 36 0, 0.0 3,-2.0 0, 0.0 5,-0.5 0.874 119.8 58.3 -49.6 -44.7 6.1 6.0 8.3 80 80 C E G 3 S+ 0 0 124 1,-0.3 3,-0.2 2,-0.1 -27,-0.1 0.659 107.3 48.1 -64.9 -19.5 6.3 3.6 5.4 81 81 C D G < S+ 0 0 109 -3,-1.7 -1,-0.3 1,-0.1 0, 0.0 0.260 94.6 77.2-100.7 6.6 6.2 6.6 2.9 82 82 C R S < S- 0 0 10 -3,-2.0 78,-0.2 -4,-0.2 -2,-0.1 0.460 95.4-121.7 -99.1 -1.8 8.9 8.7 4.7 83 83 C K + 0 0 98 -4,-0.3 77,-2.6 -3,-0.2 78,-1.6 0.926 60.1 149.1 60.1 51.7 12.1 6.9 3.5 84 84 C I E -g 161 0B 26 -5,-0.5 2,-0.4 75,-0.2 -1,-0.2 -0.860 38.6-158.9-116.6 144.7 13.3 6.2 7.1 85 85 C G E -g 162 0B 3 76,-2.2 78,-2.9 -2,-0.3 2,-0.4 -0.977 17.8-154.8-115.8 133.6 15.3 3.5 8.7 86 86 C M E +g 163 0B 28 -2,-0.4 2,-0.5 76,-0.2 78,-0.2 -0.958 20.7 179.3-115.6 129.7 14.9 3.0 12.4 87 87 C V E +g 164 0B 9 76,-2.7 78,-2.4 -2,-0.4 2,-0.4 -0.948 25.8 166.9-121.5 103.2 17.4 1.4 15.0 88 88 C F E > -g 165 0B 13 -2,-0.5 3,-1.9 3,-0.3 78,-0.2 -0.969 45.7-135.4-123.9 136.3 15.6 1.7 18.2 89 89 C Q T 3 S+ 0 0 76 76,-2.5 -1,-0.1 -2,-0.4 77,-0.1 0.854 110.9 52.9 -55.0 -32.6 16.5 -0.0 21.5 90 90 C T T 3 S+ 0 0 118 75,-0.2 2,-0.8 1,-0.1 -1,-0.3 0.476 93.5 74.2 -81.3 -11.5 12.7 -0.8 21.7 91 91 C W S < S- 0 0 82 -3,-1.9 -3,-0.3 3,-0.0 -1,-0.1 -0.828 73.1-173.6-105.0 89.4 12.4 -2.4 18.2 92 92 C A - 0 0 70 -2,-0.8 2,-0.2 1,-0.1 -2,-0.1 -0.245 31.6 -91.1 -79.2 168.8 14.0 -5.8 18.7 93 93 C L - 0 0 25 1,-0.1 -1,-0.1 2,-0.0 6,-0.1 -0.543 50.0-101.4 -68.2 148.7 14.8 -8.4 16.1 94 94 C Y > - 0 0 102 -2,-0.2 3,-1.7 1,-0.2 8,-0.1 -0.626 31.4-145.8 -74.8 119.6 11.9 -10.9 15.6 95 95 C P T 3 S+ 0 0 102 0, 0.0 44,-0.3 0, 0.0 -1,-0.2 0.750 91.5 46.6 -62.8 -28.0 13.2 -14.0 17.6 96 96 C N T 3 S+ 0 0 127 41,-0.1 2,-0.4 42,-0.1 -2,-0.0 0.102 97.2 81.1-109.1 23.3 11.7 -16.6 15.4 97 97 C L S < S- 0 0 42 -3,-1.7 5,-0.0 39,-0.0 39,-0.0 -0.954 81.9-119.6-115.2 142.9 12.8 -15.2 12.1 98 98 C T > - 0 0 20 -2,-0.4 4,-2.7 39,-0.2 39,-0.2 -0.209 34.5 -97.1 -67.9 171.1 16.2 -15.8 10.8 99 99 C A H > S+ 0 0 1 37,-2.3 4,-2.4 34,-0.4 5,-0.2 0.931 127.7 50.8 -52.8 -47.5 18.6 -12.9 10.2 100 100 C F H > S+ 0 0 57 34,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.943 111.1 47.5 -54.8 -51.3 17.7 -13.1 6.5 101 101 C E H > S+ 0 0 88 33,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.853 110.3 52.9 -60.3 -39.0 14.0 -13.1 7.3 102 102 C N H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.918 113.3 42.5 -63.5 -41.3 14.4 -10.1 9.7 103 103 C I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 115.2 50.0 -75.7 -30.4 16.2 -8.1 7.1 104 104 C A H >< S+ 0 0 14 -4,-2.4 3,-2.1 -5,-0.2 4,-0.4 0.705 87.8 88.7 -76.2 -22.6 13.8 -9.1 4.3 105 105 C F G >< S+ 0 0 95 -4,-1.2 3,-1.9 1,-0.3 4,-0.2 0.879 82.9 52.4 -49.2 -49.0 10.7 -8.2 6.4 106 106 C P G 3 S+ 0 0 24 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.667 105.2 58.2 -63.6 -14.6 10.5 -4.5 5.4 107 107 C L G X S+ 0 0 3 -3,-2.1 3,-1.7 1,-0.2 5,-0.5 0.425 74.4 103.2 -90.0 -5.0 10.6 -5.6 1.7 108 108 C T T < S+ 0 0 87 -3,-1.9 -1,-0.2 -4,-0.4 3,-0.2 0.819 92.7 26.2 -50.0 -42.3 7.5 -7.8 2.0 109 109 C N T 3 S+ 0 0 136 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.092 90.2 102.8-116.5 28.8 5.1 -5.3 0.3 110 110 C M S < S- 0 0 82 -3,-1.7 -1,-0.1 2,-0.1 -2,-0.1 0.111 94.5-109.0 -96.0 22.0 7.5 -3.3 -1.9 111 111 C K S S+ 0 0 209 1,-0.2 2,-0.4 -3,-0.2 -2,-0.1 0.798 71.0 142.6 52.9 38.7 6.6 -5.1 -5.1 112 112 C M - 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