==== 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 1OXU . 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 . 1059 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 721 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 250 23.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 18 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 . 83 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 6 6 0 3 0 0 0 3 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 7 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 4 5 9 9 6 3 3 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 7 3 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 A M 0 0 92 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -6.1 4.4 62.0 87.9 2 2 A V - 0 0 4 158,-0.4 2,-0.4 27,-0.2 29,-0.4 -0.984 360.0-135.9-151.1 135.4 7.1 64.1 86.4 3 3 A R - 0 0 73 -2,-0.3 62,-3.4 27,-0.2 2,-0.6 -0.758 18.0-150.4 -89.2 133.7 7.4 67.5 84.7 4 4 A I E -AB 28 64A 1 24,-2.3 24,-2.7 -2,-0.4 2,-0.7 -0.916 10.3-167.7-108.4 113.7 9.7 67.6 81.6 5 5 A I E -AB 27 63A 39 58,-3.0 58,-2.4 -2,-0.6 2,-0.6 -0.878 4.0-173.9-107.8 112.8 11.3 71.0 80.9 6 6 A V E -AB 26 62A 4 20,-2.9 20,-2.0 -2,-0.7 2,-0.6 -0.897 7.1-172.4-106.1 113.4 13.0 71.5 77.5 7 7 A K E - B 0 61A 89 54,-2.7 54,-2.1 -2,-0.6 18,-0.2 -0.905 63.2 -36.2-116.5 110.8 14.8 74.8 77.3 8 8 A N E S- 0 0 47 -2,-0.6 2,-0.5 15,-0.2 15,-0.2 0.875 80.1-176.7 50.3 46.7 16.3 75.9 74.0 9 9 A V E +A 24 0A 0 15,-2.3 15,-2.8 51,-0.2 2,-0.3 -0.659 8.3 171.9 -84.2 124.6 17.3 72.4 73.0 10 10 A S E - B 0 59A 11 49,-2.5 48,-2.6 -2,-0.5 49,-1.3 -0.919 11.4-168.0-124.6 153.3 19.2 72.1 69.7 11 11 A K E -A 21 0A 26 10,-2.1 9,-1.7 -2,-0.3 10,-1.6 -0.961 4.5-168.5-145.6 123.6 20.9 69.0 68.2 12 12 A V E -A 19 0A 55 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.827 2.2-171.8-114.2 153.0 23.3 68.8 65.3 13 13 A F E > > +A 18 0A 78 5,-2.9 5,-2.2 -2,-0.3 3,-0.9 -0.810 63.7 41.8-129.7 173.6 24.6 66.0 63.2 14 14 A K G > 5S- 0 0 158 -2,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.909 132.4 -58.5 51.7 48.3 27.3 65.7 60.5 15 15 A K G 3 5S- 0 0 220 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.0 0.776 110.9 -42.5 56.2 30.7 29.7 68.0 62.4 16 16 A G G < 5S+ 0 0 38 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.155 115.2 107.0 105.3 -17.7 27.1 70.8 62.3 17 17 A K T < 5S+ 0 0 183 -3,-1.9 2,-0.6 1,-0.1 -3,-0.2 0.866 77.5 52.8 -63.3 -35.9 25.8 70.5 58.7 18 18 A V E < -A 13 0A 58 -5,-2.2 -5,-2.9 3,-0.0 2,-0.9 -0.900 65.8-163.6-109.2 120.5 22.5 69.0 59.8 19 19 A V E +A 12 0A 71 -2,-0.6 -7,-0.2 -7,-0.2 3,-0.1 -0.853 14.2 172.6-101.1 97.0 20.4 70.7 62.4 20 20 A A E S+ 0 0 16 -9,-1.7 2,-0.4 -2,-0.9 -8,-0.2 0.822 72.8 23.7 -76.0 -34.7 17.9 68.0 63.6 21 21 A L E S-A 11 0A 0 -10,-1.6 -10,-2.1 -3,-0.1 2,-0.5 -0.999 71.9-163.5-133.7 133.0 16.4 70.1 66.4 22 22 A D E - 0 0 50 195,-2.9 197,-0.4 -2,-0.4 -12,-0.2 -0.881 64.4 -39.8-126.6 103.6 16.5 73.9 66.5 23 23 A N E S- 0 0 85 -2,-0.5 2,-0.3 -15,-0.2 -15,-0.2 0.892 74.2-170.1 52.7 50.0 15.8 75.8 69.7 24 24 A V E -A 9 0A 2 -15,-2.8 -15,-2.3 -17,-0.1 2,-0.4 -0.534 6.6-176.2 -75.7 129.1 13.0 73.6 70.9 25 25 A N E + 0 0 22 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 -0.991 16.7 138.5-128.3 127.9 11.1 74.9 73.9 26 26 A I E -A 6 0A 11 -20,-2.0 -20,-2.9 -2,-0.4 2,-0.6 -0.932 35.7-150.3-167.7 141.8 8.3 73.0 75.8 27 27 A N E -A 5 0A 64 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.914 15.9-163.6-116.0 101.7 7.1 72.3 79.3 28 28 A I E -A 4 0A 1 -24,-2.7 -24,-2.3 -2,-0.6 3,-0.1 -0.754 21.3-130.0 -87.5 124.3 5.3 68.9 79.6 29 29 A E > - 0 0 77 -2,-0.5 3,-1.9 -26,-0.2 -27,-0.2 -0.321 29.2 -89.5 -74.6 153.3 3.3 68.8 82.8 30 30 A N T 3 S+ 0 0 89 1,-0.3 -27,-0.2 -29,-0.1 -1,-0.1 -0.414 113.5 8.4 -62.3 130.0 3.4 65.9 85.3 31 31 A G T 3 S+ 0 0 27 -29,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.467 97.6 141.7 80.0 1.9 0.9 63.2 84.4 32 32 A E < - 0 0 32 -3,-1.9 162,-3.1 -30,-0.2 2,-0.8 -0.455 53.7-133.3 -78.3 148.6 0.1 64.9 81.1 33 33 A R E -e 194 0B 42 160,-0.2 176,-2.6 -2,-0.1 177,-1.4 -0.897 37.6-179.5 -98.0 103.5 -0.6 62.9 77.9 34 34 A F E -ef 195 210B 1 160,-3.5 162,-2.2 -2,-0.8 2,-0.3 -0.915 9.6-165.8-116.9 135.5 1.6 64.9 75.4 35 35 A G E -ef 196 211B 0 175,-2.5 177,-2.7 -2,-0.4 2,-0.5 -0.866 11.4-156.2-120.8 149.7 2.0 64.2 71.7 36 36 A I E -ef 197 212B 3 160,-2.1 162,-2.5 -2,-0.3 2,-0.4 -0.993 12.5-167.0-123.1 128.0 4.4 65.3 69.0 37 37 A L E +ef 198 213B 3 175,-2.5 177,-2.9 -2,-0.5 162,-0.2 -0.952 23.7 135.2-116.1 132.4 3.3 65.2 65.3 38 38 A G - 0 0 1 160,-1.5 177,-0.1 -2,-0.4 3,-0.1 -0.918 48.6 -98.8-173.9 147.9 5.7 65.6 62.4 39 39 A P > - 0 0 46 0, 0.0 3,-2.1 0, 0.0 5,-0.3 -0.094 64.4 -65.4 -65.2 167.3 6.6 64.2 59.0 40 40 A S T 3 S+ 0 0 125 1,-0.3 158,-0.0 2,-0.1 0, 0.0 -0.286 125.8 20.7 -53.4 130.7 9.4 61.7 58.5 41 41 A G T 3 S+ 0 0 73 -3,-0.1 -1,-0.3 174,-0.0 174,-0.0 0.451 82.9 122.5 88.4 0.1 12.8 63.4 59.3 42 42 A A S < S- 0 0 3 -3,-2.1 175,-1.8 174,-0.1 -2,-0.1 0.757 88.8-102.0 -65.4 -23.7 11.2 66.2 61.4 43 43 A G S > S+ 0 0 8 -4,-0.2 4,-2.3 173,-0.1 5,-0.1 0.572 77.6 137.0 111.2 17.1 13.4 65.1 64.4 44 44 A K H > S+ 0 0 8 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.936 75.9 42.6 -59.9 -52.2 10.9 63.2 66.4 45 45 A T H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 111.8 54.6 -65.2 -40.6 13.1 60.3 67.3 46 46 A T H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 110.1 48.6 -56.1 -45.1 16.1 62.6 68.0 47 47 A F H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.948 111.5 47.8 -60.0 -50.7 13.8 64.4 70.5 48 48 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-0.2 0.880 108.8 54.5 -62.0 -37.5 12.6 61.3 72.2 49 49 A R H X>S+ 0 0 101 -4,-2.7 5,-1.9 1,-0.2 4,-1.7 0.892 108.2 49.9 -63.8 -37.0 16.2 59.9 72.5 50 50 A I H <5S+ 0 0 2 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.898 110.8 48.9 -68.6 -39.3 17.2 63.2 74.2 51 51 A I H <5S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 112.7 48.7 -64.7 -39.4 14.3 62.9 76.6 52 52 A A H <5S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.797 114.0-118.5 -69.8 -30.2 15.3 59.3 77.3 53 53 A G T <5S+ 0 0 4 -4,-1.7 -3,-0.2 2,-0.3 27,-0.1 0.484 83.7 118.3 100.0 5.4 18.9 60.2 77.9 54 54 A L S S-BC 4 67A 4 3,-2.6 3,-2.8 -2,-0.4 -60,-0.2 -0.972 82.3 -44.2-106.9 114.5 13.0 66.5 85.0 65 65 A D T 3 S- 0 0 54 -62,-3.4 -60,-0.1 -2,-0.6 -63,-0.1 -0.445 125.7 -28.4 54.5-126.7 11.0 68.5 87.7 66 66 A D T 3 S+ 0 0 135 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.317 116.3 109.2 -97.3 10.0 13.8 70.7 89.1 67 67 A R E < -C 64 0A 120 -3,-2.8 -3,-2.6 2,-0.0 2,-0.4 -0.773 65.6-138.5 -92.7 119.2 16.6 68.2 88.3 68 68 A L E +C 63 0A 51 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.619 29.0 169.0 -70.6 126.8 19.0 69.1 85.6 69 69 A V E + 0 0 3 -7,-2.7 8,-2.3 -2,-0.4 7,-1.9 0.579 62.1 10.6-117.2 -16.2 19.6 65.9 83.5 70 70 A A E +CD 62 75A 0 -8,-1.3 -8,-2.6 5,-0.2 -1,-0.4 -0.943 58.5 178.7-163.6 143.2 21.4 67.2 80.5 71 71 A S E > -CD 61 74A 18 3,-2.4 3,-2.1 -2,-0.3 -10,-0.2 -0.938 61.4 -29.3-153.8 123.0 23.1 70.5 79.4 72 72 A N T 3 S- 0 0 88 -12,-3.2 -14,-0.2 -2,-0.3 -13,-0.2 0.839 127.7 -32.1 39.1 62.5 24.9 71.7 76.3 73 73 A G T 3 S+ 0 0 47 -16,-2.8 2,-0.4 1,-0.2 -1,-0.3 0.388 116.4 110.6 83.6 -2.4 26.5 68.4 75.1 74 74 A K E < -D 71 0A 137 -3,-2.1 -3,-2.4 -17,-0.1 2,-0.7 -0.908 61.5-141.1-113.5 131.4 26.8 67.0 78.6 75 75 A L E +D 70 0A 77 -2,-0.4 -5,-0.2 -5,-0.2 -19,-0.1 -0.797 25.0 171.2 -87.5 115.8 24.9 64.1 80.2 76 76 A I S S+ 0 0 66 -7,-1.9 -6,-0.2 -2,-0.7 -1,-0.2 0.835 72.8 25.8 -94.1 -43.4 24.1 65.0 83.8 77 77 A V S S- 0 0 36 -8,-2.3 -1,-0.3 -10,-0.1 5,-0.1 -0.974 88.4-133.9-124.1 113.9 21.7 62.2 84.8 78 78 A P > - 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.200 24.8-104.9 -67.1 158.0 22.1 59.0 82.7 79 79 A P G > S+ 0 0 41 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.869 118.6 59.3 -52.0 -43.7 19.1 57.1 81.3 80 80 A E G 3 S+ 0 0 123 1,-0.3 3,-0.2 2,-0.1 -27,-0.1 0.700 107.0 49.4 -62.0 -17.5 19.3 54.3 83.8 81 81 A D G < S+ 0 0 106 -3,-2.0 -1,-0.3 1,-0.1 0, 0.0 0.397 92.9 78.4-100.7 5.2 18.8 57.0 86.6 82 82 A R S < S- 0 0 12 -3,-2.2 78,-0.3 -4,-0.3 -2,-0.1 0.596 90.9-125.3 -95.8 -9.1 15.8 58.8 85.0 83 83 A K + 0 0 105 -4,-0.4 77,-2.2 -3,-0.2 78,-1.5 0.992 57.1 149.9 62.6 58.0 12.8 56.4 85.8 84 84 A I E -g 161 0B 35 -5,-0.3 2,-0.4 75,-0.2 -1,-0.2 -0.936 37.9-155.2-126.4 144.7 11.7 56.1 82.2 85 85 A G E -g 162 0B 3 76,-2.7 78,-3.1 -2,-0.4 2,-0.4 -0.948 19.0-161.9-116.3 141.6 9.9 53.3 80.2 86 86 A M E +g 163 0B 76 -2,-0.4 2,-0.4 76,-0.2 78,-0.2 -0.976 25.3 175.5-132.3 137.6 10.3 53.1 76.5 87 87 A V E -g 164 0B 5 76,-2.5 78,-2.5 -2,-0.4 2,-0.2 -0.912 26.1-171.8-132.0 105.6 8.6 51.5 73.5 88 88 A F > - 0 0 31 -2,-0.4 3,-2.7 76,-0.2 78,-0.1 -0.650 38.6-105.5-101.9 158.6 10.3 52.6 70.2 89 89 A Q T 3 S+ 0 0 87 76,-0.5 -1,-0.1 1,-0.3 77,-0.1 0.773 123.9 47.2 -47.3 -32.8 9.4 52.0 66.6 90 90 A T T 3 S+ 0 0 121 2,-0.1 -1,-0.3 75,-0.0 76,-0.1 0.551 85.3 138.9 -88.6 -9.7 12.2 49.4 66.3 91 91 A W < + 0 0 29 -3,-2.7 2,-0.3 1,-0.0 -4,-0.1 0.114 25.5 173.5 -35.3 144.8 11.1 47.7 69.5 92 92 A A - 0 0 68 58,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.965 30.1-124.5-157.5 143.9 11.1 43.9 69.5 93 93 A L - 0 0 19 -2,-0.3 6,-0.1 1,-0.1 57,-0.0 -0.635 41.5-101.7 -83.5 148.0 10.6 41.2 72.0 94 94 A Y > - 0 0 120 -2,-0.3 3,-1.6 1,-0.2 8,-0.1 -0.641 33.3-149.9 -69.4 114.6 13.4 38.6 72.4 95 95 A P T 3 S+ 0 0 77 0, 0.0 44,-0.4 0, 0.0 -1,-0.2 0.733 90.9 49.9 -61.9 -25.4 11.9 35.8 70.3 96 96 A N T 3 S+ 0 0 86 41,-0.1 2,-0.4 42,-0.1 -2,-0.1 0.244 97.9 79.5-100.8 13.1 13.7 33.0 72.4 97 97 A L S < S- 0 0 48 -3,-1.6 -4,-0.0 1,-0.1 39,-0.0 -0.927 81.7-119.8-114.9 142.9 12.6 34.4 75.8 98 98 A T > - 0 0 22 -2,-0.4 4,-2.3 39,-0.2 39,-0.2 -0.151 35.5 -97.6 -68.1 175.5 9.2 33.8 77.2 99 99 A A H > S+ 0 0 1 37,-2.2 4,-2.5 34,-0.4 5,-0.3 0.944 127.3 51.3 -60.0 -47.6 6.9 36.6 78.1 100 100 A F H > S+ 0 0 60 34,-2.9 4,-2.5 1,-0.2 5,-0.2 0.961 111.2 47.3 -51.2 -55.6 8.1 36.4 81.8 101 101 A E H > S+ 0 0 86 33,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.833 110.8 51.9 -58.0 -37.3 11.7 36.5 80.7 102 102 A N H < S+ 0 0 1 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.935 113.1 43.6 -65.5 -46.1 11.2 39.4 78.4 103 103 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.855 115.6 49.5 -68.2 -34.0 9.5 41.5 81.1 104 104 A A H >< S+ 0 0 15 -4,-2.5 3,-2.4 -5,-0.3 4,-0.3 0.726 86.6 88.4 -78.0 -21.7 12.1 40.5 83.7 105 105 A F G >< S+ 0 0 98 -4,-1.4 3,-2.2 1,-0.3 4,-0.2 0.868 82.7 55.1 -45.7 -53.2 15.1 41.3 81.5 106 106 A P G 3 S+ 0 0 36 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.679 101.5 60.5 -57.2 -18.7 15.3 45.0 82.6 107 107 A L G X S+ 0 0 4 -3,-2.4 3,-1.8 1,-0.2 5,-0.5 0.451 73.6 104.1 -89.1 -0.6 15.5 43.8 86.3 108 108 A T T < S+ 0 0 91 -3,-2.2 3,-0.3 -4,-0.3 -1,-0.2 0.866 91.1 27.6 -46.0 -50.6 18.7 41.9 85.7 109 109 A N T 3 S+ 0 0 133 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.087 92.5 100.9-104.4 24.2 21.0 44.4 87.3 110 110 A M S < S- 0 0 77 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.1 0.276 92.2-115.3 -94.8 12.1 18.5 45.9 89.8 111 111 A K + 0 0 197 -3,-0.3 2,-0.4 1,-0.2 -2,-0.1 0.894 64.6 148.1 58.8 41.8 19.8 44.0 92.8 112 112 A M - 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