==== 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 1OXT . 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 . 1056 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 727 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 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 . 1 0.1 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 . 97 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 7 5 0 3 0 0 0 3 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 6 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 . 0 5 4 9 9 4 5 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 9 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 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 0 118 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -5.0 5.3 11.4 1.4 2 2 A V - 0 0 0 158,-0.4 2,-0.5 27,-0.2 29,-0.4 -0.993 360.0-141.2-145.9 139.3 8.3 9.8 3.1 3 3 A R - 0 0 81 -2,-0.3 62,-3.5 27,-0.2 2,-0.6 -0.869 16.9-152.2-102.5 129.7 8.8 6.4 4.9 4 4 A I E -AB 28 64A 1 24,-2.2 24,-3.2 -2,-0.5 2,-0.6 -0.902 7.3-167.3-108.6 117.8 10.9 6.4 8.0 5 5 A I E -AB 27 63A 39 58,-2.6 58,-2.7 -2,-0.6 2,-0.7 -0.915 1.1-171.3-105.2 114.6 12.8 3.3 9.0 6 6 A V E -AB 26 62A 0 20,-3.2 20,-2.0 -2,-0.6 2,-0.6 -0.918 13.4-170.1-105.1 109.2 14.2 3.4 12.5 7 7 A K E - B 0 61A 97 54,-3.1 54,-2.5 -2,-0.7 18,-0.2 -0.876 58.1 -37.7-117.7 111.0 16.5 0.4 12.8 8 8 A N E S- 0 0 59 -2,-0.6 2,-0.4 52,-0.2 15,-0.3 0.851 82.0-176.4 50.1 42.4 18.0 -0.8 16.1 9 9 A V E +A 24 0A 0 15,-2.1 15,-2.8 52,-0.2 2,-0.3 -0.541 10.2 168.3 -79.9 126.3 18.5 2.8 17.2 10 10 A S E - B 0 59A 15 49,-2.4 48,-2.6 -2,-0.4 49,-1.2 -0.948 15.2-166.2-131.6 153.3 20.2 3.5 20.5 11 11 A K E -A 21 0A 24 10,-2.0 9,-1.8 -2,-0.3 10,-1.6 -0.965 8.2-175.0-142.3 124.2 21.7 6.6 21.9 12 12 A V E -A 19 0A 50 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.824 1.4-173.5-116.4 158.1 24.0 6.8 24.9 13 13 A F E > > +A 18 0A 81 5,-2.7 5,-2.1 -2,-0.3 3,-0.8 -0.838 61.3 45.9-135.5 175.2 25.4 9.7 26.9 14 14 A K G > 5S- 0 0 162 -2,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.901 134.2 -53.6 54.7 43.9 28.0 10.1 29.7 15 15 A K G 3 5S- 0 0 222 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.753 109.2 -47.8 65.3 29.0 30.4 7.8 27.9 16 16 A G G < 5S+ 0 0 37 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.258 116.4 106.6 99.1 -11.5 27.9 5.0 27.6 17 17 A K T < 5S+ 0 0 186 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.880 75.2 54.5 -69.4 -38.2 26.6 5.1 31.2 18 18 A V E < -A 13 0A 66 -5,-2.1 -5,-2.7 2,-0.0 2,-0.8 -0.869 68.2-162.4-101.6 121.1 23.3 6.7 30.3 19 19 A V E +A 12 0A 64 -2,-0.6 -7,-0.2 -7,-0.2 3,-0.1 -0.885 12.9 174.5-102.9 101.1 21.2 4.9 27.7 20 20 A A E S+ 0 0 17 -9,-1.8 2,-0.4 -2,-0.8 -8,-0.2 0.796 75.6 21.3 -73.9 -32.4 18.6 7.5 26.5 21 21 A L E S-A 11 0A 0 -10,-1.6 -10,-2.0 25,-0.1 2,-0.5 -0.998 72.3-160.3-139.1 137.9 17.3 5.2 23.8 22 22 A D E - 0 0 59 195,-3.2 197,-0.4 -2,-0.4 -12,-0.2 -0.891 63.2 -40.6-129.2 102.9 17.6 1.4 23.7 23 23 A N E S- 0 0 88 -2,-0.5 2,-0.5 -15,-0.3 -13,-0.2 0.895 72.6-171.9 53.5 49.4 17.2 -0.7 20.5 24 24 A V E -A 9 0A 2 -15,-2.8 -15,-2.1 -17,-0.1 2,-0.5 -0.618 6.5-175.9 -79.6 123.9 14.2 1.3 19.1 25 25 A N E + 0 0 65 -2,-0.5 2,-0.3 -17,-0.2 -18,-0.2 -0.977 16.7 144.5-122.2 122.3 12.6 -0.3 16.0 26 26 A I E -A 6 0A 8 -20,-2.0 -20,-3.2 -2,-0.5 2,-0.5 -0.970 32.2-156.8-154.0 138.5 9.8 1.4 14.1 27 27 A N E -A 5 0A 71 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.980 16.5-161.6-115.9 113.1 8.8 1.7 10.5 28 28 A I E -A 4 0A 4 -24,-3.2 -24,-2.2 -2,-0.5 3,-0.1 -0.858 18.2-131.3 -95.5 126.5 6.7 4.9 10.0 29 29 A E > - 0 0 83 -2,-0.5 3,-2.3 -26,-0.2 -27,-0.2 -0.349 30.6 -82.3 -80.6 156.0 4.7 4.7 6.8 30 30 A N T 3 S+ 0 0 84 1,-0.3 -27,-0.2 -29,-0.1 -1,-0.1 -0.320 115.5 2.3 -51.3 124.9 4.4 7.4 4.1 31 31 A G T 3 S+ 0 0 25 -29,-0.4 -1,-0.3 129,-0.3 2,-0.1 0.523 95.9 144.1 74.6 4.4 1.8 10.0 5.1 32 32 A E < - 0 0 36 -3,-2.3 162,-2.7 1,-0.1 2,-0.8 -0.480 50.5-134.8 -77.0 145.8 1.2 8.3 8.5 33 33 A R E -e 194 0B 49 160,-0.2 176,-2.6 -2,-0.1 177,-1.5 -0.890 33.9-176.9 -98.9 106.3 0.5 10.5 11.6 34 34 A F E -ef 195 210B 0 160,-3.2 162,-2.1 -2,-0.8 2,-0.3 -0.887 8.0-164.6-113.2 134.6 2.7 8.8 14.2 35 35 A G E -ef 196 211B 0 175,-2.5 177,-2.6 -2,-0.4 2,-0.5 -0.847 11.2-152.8-118.0 151.5 2.9 9.8 17.8 36 36 A I E -ef 197 212B 1 160,-2.6 162,-2.4 -2,-0.3 2,-0.4 -0.989 15.9-172.8-121.2 122.8 5.3 9.1 20.6 37 37 A L E +ef 198 213B 1 175,-2.5 177,-2.5 -2,-0.5 162,-0.2 -0.942 23.4 124.7-115.5 135.8 4.0 9.2 24.2 38 38 A G - 0 0 0 160,-1.2 177,-0.1 -2,-0.4 3,-0.1 -0.929 54.9 -85.5-178.3 160.7 6.1 9.0 27.3 39 39 A P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 5,-0.3 -0.242 65.0 -68.8 -73.6 164.8 7.0 10.8 30.5 40 40 A S T 3 S+ 0 0 118 1,-0.3 158,-0.0 2,-0.1 0, 0.0 -0.274 125.6 19.6 -51.8 128.8 9.6 13.5 30.9 41 41 A G T 3 S+ 0 0 70 -3,-0.1 -1,-0.3 174,-0.0 174,-0.0 0.499 82.5 122.2 86.9 3.1 13.0 12.0 30.3 42 42 A A S < S- 0 0 4 -3,-2.3 175,-2.3 174,-0.1 -2,-0.1 0.715 93.8 -98.1 -67.6 -19.2 11.7 8.9 28.6 43 43 A G S > S+ 0 0 8 -4,-0.2 4,-2.3 173,-0.1 5,-0.1 0.550 81.4 136.3 110.8 18.3 14.0 10.0 25.7 44 44 A K H > S+ 0 0 9 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 73.4 44.0 -63.5 -50.0 11.4 11.8 23.5 45 45 A T H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 112.1 55.4 -67.2 -34.2 13.3 14.8 22.5 46 46 A T H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.957 109.3 46.6 -60.7 -50.3 16.4 12.7 21.9 47 47 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.948 113.4 48.8 -55.1 -52.0 14.4 10.5 19.4 48 48 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.882 108.9 52.8 -56.5 -43.7 13.0 13.6 17.7 49 49 A R H X>S+ 0 0 106 -4,-2.7 5,-2.5 1,-0.2 6,-1.3 0.853 109.5 50.2 -62.8 -34.4 16.5 15.2 17.4 50 50 A I H <5S+ 0 0 1 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.917 110.4 48.1 -70.5 -43.3 17.7 12.0 15.7 51 51 A I H <5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 113.9 48.9 -62.1 -39.2 14.8 12.0 13.2 52 52 A A H <5S- 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.756 114.2-119.6 -70.2 -25.8 15.5 15.6 12.5 53 53 A G T <5S+ 0 0 2 -4,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.589 81.9 121.0 92.3 12.4 19.2 15.0 12.1 54 54 A L S S-BC 4 67A 2 3,-2.4 3,-2.4 -2,-0.4 -60,-0.2 -0.962 81.3 -47.0-108.7 109.4 14.3 8.1 4.8 65 65 A D T 3 S- 0 0 57 -62,-3.5 -60,-0.2 -2,-0.6 -63,-0.1 -0.465 125.2 -25.9 54.4-127.1 12.8 5.9 2.1 66 66 A D T 3 S+ 0 0 140 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.499 115.8 108.5 -91.7 0.5 15.9 4.1 0.7 67 67 A R E < -C 64 0A 113 -3,-2.4 -3,-2.4 1,-0.0 2,-0.8 -0.646 65.7-140.6 -84.8 120.9 18.3 6.8 1.8 68 68 A L E +C 63 0A 57 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.705 28.2 172.5 -75.0 112.6 20.6 6.0 4.8 69 69 A V E + 0 0 1 -7,-2.5 8,-2.5 -2,-0.8 7,-1.3 0.673 61.5 9.4-100.1 -19.8 20.5 9.3 6.6 70 70 A A E +CD 62 75A 0 -8,-1.2 -8,-2.2 5,-0.2 -1,-0.3 -0.975 63.5 179.2-157.6 146.9 22.4 8.4 9.8 71 71 A S E > -CD 61 74A 23 3,-2.7 3,-2.6 -2,-0.3 -10,-0.2 -0.915 56.8 -30.5-160.1 127.4 24.3 5.4 11.0 72 72 A N T 3 S- 0 0 82 -12,-2.4 -14,-0.2 -2,-0.3 -13,-0.2 0.781 128.2 -30.4 34.6 62.2 26.3 4.3 14.1 73 73 A G T 3 S+ 0 0 50 -16,-2.8 2,-0.5 1,-0.2 -1,-0.3 0.321 116.9 112.3 88.0 -4.0 27.5 7.7 15.3 74 74 A K E < -D 71 0A 127 -3,-2.6 -3,-2.7 -17,-0.2 2,-0.9 -0.883 59.2-146.4-112.3 127.4 27.7 9.2 11.8 75 75 A L E +D 70 0A 76 -2,-0.5 -5,-0.2 -5,-0.2 -19,-0.1 -0.783 27.0 168.2 -85.2 106.2 25.5 11.9 10.3 76 76 A I + 0 0 70 -7,-1.3 -6,-0.2 -2,-0.9 -1,-0.2 0.938 68.4 25.1 -87.0 -52.3 25.2 11.0 6.7 77 77 A V S S- 0 0 32 -8,-2.5 -1,-0.3 -10,-0.1 5,-0.0 -0.966 86.3-137.8-116.2 119.5 22.4 13.3 5.4 78 78 A P > - 0 0 35 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.207 27.2 -97.4 -77.2 165.8 22.1 16.6 7.4 79 79 A P G > S+ 0 0 32 0, 0.0 3,-2.0 0, 0.0 5,-0.4 0.845 120.2 56.8 -48.4 -47.6 18.8 18.2 8.5 80 80 A E G 3 S+ 0 0 120 1,-0.3 3,-0.3 2,-0.1 -27,-0.1 0.671 108.3 48.8 -64.9 -15.1 18.7 20.7 5.6 81 81 A D G < S+ 0 0 106 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.0 0.353 93.8 78.9-102.7 6.5 18.8 17.8 3.1 82 82 A R S < S- 0 0 7 -3,-2.0 78,-0.2 -4,-0.3 -1,-0.1 0.408 93.9-124.1 -97.7 1.0 16.0 15.8 4.8 83 83 A K + 0 0 116 -3,-0.3 77,-2.0 -4,-0.2 78,-1.4 0.956 58.8 150.6 54.6 55.5 12.9 17.6 3.5 84 84 A I E -g 161 0B 31 -5,-0.4 2,-0.5 75,-0.2 78,-0.2 -0.898 40.0-153.9-120.9 146.0 11.6 18.2 7.1 85 85 A G E -g 162 0B 2 76,-2.7 78,-3.2 -2,-0.4 2,-0.5 -0.970 19.8-156.3-116.5 133.1 9.5 20.9 8.6 86 86 A M E +g 163 0B 66 -2,-0.5 2,-0.5 76,-0.2 78,-0.2 -0.936 23.6 172.1-119.9 129.3 10.0 21.5 12.2 87 87 A V E -g 164 0B 16 76,-2.7 78,-1.8 -2,-0.5 4,-0.1 -0.902 26.3-179.0-126.4 101.9 7.8 23.0 14.9 88 88 A F - 0 0 55 -2,-0.5 -2,-0.0 2,-0.2 4,-0.0 0.168 47.0 -53.6 -90.9-150.2 9.4 22.6 18.3 89 89 A Q S S+ 0 0 127 2,-0.1 80,-0.2 79,-0.1 2,-0.2 0.823 123.6 21.3 -57.2 -37.8 8.6 23.4 21.9 90 90 A T S S- 0 0 85 78,-0.1 -2,-0.2 79,-0.0 75,-0.1 -0.594 89.6-105.1-115.0-179.1 8.0 27.0 21.2 91 91 A W - 0 0 85 -2,-0.2 -2,-0.1 -4,-0.1 3,-0.1 0.216 46.2-161.0 -87.9 12.3 7.1 28.9 17.9 92 92 A A + 0 0 63 1,-0.1 2,-0.2 2,-0.0 -3,-0.0 0.567 23.8 168.0 8.4 48.7 10.8 29.9 18.2 93 93 A L - 0 0 22 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.547 46.9-101.8 -78.1 149.7 10.0 32.7 15.8 94 94 A Y > - 0 0 116 -2,-0.2 3,-1.6 1,-0.2 8,-0.1 -0.634 29.1-148.9 -72.6 118.3 12.8 35.4 15.5 95 95 A P T 3 S+ 0 0 87 0, 0.0 44,-0.3 0, 0.0 -1,-0.2 0.772 92.9 49.8 -60.2 -30.2 11.5 38.3 17.6 96 96 A N T 3 S+ 0 0 48 41,-0.1 2,-0.4 42,-0.1 265,-0.1 0.187 98.1 77.0 -98.9 16.6 13.2 40.9 15.5 97 97 A L S < S- 0 0 35 -3,-1.6 281,-0.0 281,-0.0 5,-0.0 -0.965 82.6-116.5-120.6 142.6 11.9 39.6 12.0 98 98 A T > - 0 0 7 -2,-0.4 4,-2.8 39,-0.2 39,-0.3 -0.186 35.9-100.5 -66.5 168.3 8.4 40.2 10.7 99 99 A A H > S+ 0 0 0 37,-2.7 4,-2.3 34,-0.4 5,-0.2 0.926 128.1 53.2 -55.4 -42.6 6.2 37.2 10.1 100 100 A F H > S+ 0 0 57 34,-2.8 4,-2.3 36,-0.2 -1,-0.2 0.949 110.2 45.7 -55.2 -50.5 7.1 37.7 6.4 101 101 A E H > S+ 0 0 73 33,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.856 110.6 54.0 -63.6 -36.8 10.9 37.6 7.2 102 102 A N H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.919 112.8 42.5 -61.3 -46.6 10.5 34.6 9.5 103 103 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.845 114.8 50.9 -71.6 -34.0 8.7 32.6 6.8 104 104 A A H >< S+ 0 0 13 -4,-2.3 3,-2.3 -5,-0.2 4,-0.3 0.755 88.9 87.6 -72.5 -22.9 11.2 33.7 4.1 105 105 A F G >< S+ 0 0 101 -4,-1.4 3,-2.1 1,-0.3 4,-0.2 0.854 82.4 51.9 -49.8 -50.9 14.2 32.8 6.3 106 106 A P G 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.623 105.6 58.6 -64.6 -11.3 14.6 29.2 5.2 107 107 A L G X S+ 0 0 5 -3,-2.3 3,-1.7 1,-0.2 5,-0.5 0.414 74.6 103.5 -95.5 1.4 14.6 30.2 1.5 108 108 A T T < S+ 0 0 81 -3,-2.1 3,-0.2 -4,-0.3 -1,-0.2 0.841 93.1 25.4 -52.7 -44.3 17.6 32.5 2.0 109 109 A N T 3 S+ 0 0 128 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.176 91.1 104.3-115.9 38.5 20.1 30.2 0.3 110 110 A M S < S- 0 0 80 -3,-1.7 -1,-0.1 2,-0.1 -2,-0.1 0.125 96.0-106.0-105.8 17.2 17.8 28.2 -1.9 111 111 A K S S+ 0 0 194 1,-0.2 2,-0.4 -3,-0.2 -2,-0.1 0.860 73.2 143.2 64.3 37.2 18.8 29.9 -5.1 112 112 A M - 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