==== 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 27-AUG-07 2V9U . COMPND 2 MOLECULE: MSPA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR D.GRUENINGER,M.O.P.ZIEGLER,J.W.A.KOETTER,N.TREIBER,M.-S.SCHU . 1056 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 549 52.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 104 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 5.1 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 9 3 0 9 0 8 0 0 7 15 8 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 0 0 0 0 6 1 1 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 G 0 0 58 0, 0.0 21,-2.9 0, 0.0 22,-0.3 0.000 360.0 360.0 360.0-134.6 -49.8 28.5 7.5 2 2 A L E +A 21 0A 77 19,-0.2 19,-0.3 1,-0.2 3,-0.1 -0.421 360.0 175.5 -63.2 127.0 -47.3 25.8 8.5 3 3 A D E - 0 0 75 17,-3.6 2,-0.3 1,-0.4 18,-0.2 0.739 64.0 -29.5 -99.3 -35.3 -44.4 25.6 6.1 4 4 A N E -A 20 0A 27 16,-1.3 16,-2.4 120,-0.1 -1,-0.4 -0.982 53.1-163.5-173.6 159.9 -42.3 23.0 8.0 5 5 A E E -A 19 0A 99 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.974 3.6-167.2-147.6 164.0 -41.4 21.5 11.4 6 6 A L E -A 18 0A 57 12,-1.9 12,-2.9 -2,-0.3 2,-0.3 -0.951 8.8-159.9-147.8 142.2 -38.8 19.3 13.2 7 7 A S E -A 17 0A 59 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.844 4.7-169.0-114.4 157.8 -38.9 17.7 16.6 8 8 A L E -A 16 0A 21 8,-2.0 8,-3.8 -2,-0.3 2,-0.8 -0.980 22.7-135.3-146.4 133.5 -36.0 16.5 18.8 9 9 A V E -A 15 0A 71 -2,-0.3 6,-0.3 6,-0.3 4,-0.0 -0.836 44.0-144.4 -85.6 114.5 -36.1 14.3 22.0 10 10 A D > - 0 0 0 4,-4.0 3,-2.3 -2,-0.8 1011,-0.1 -0.051 24.3 -85.6 -91.4-178.8 -33.6 16.2 24.0 11 11 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.1 1011,-0.2 1010,-0.1 0.689 128.6 42.4 -56.6 -20.6 -30.9 15.6 26.5 12 12 A Q T 3 S- 0 0 96 2,-0.2 -1,-0.3 1007,-0.1 3,-0.1 -0.029 122.2 -98.2-119.6 34.3 -33.5 15.6 29.3 13 13 A D S < S+ 0 0 118 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.577 78.2 139.6 63.5 16.3 -36.3 13.7 27.6 14 14 A R - 0 0 6 38,-0.2 -4,-4.0 40,-0.1 2,-0.8 -0.728 52.9-135.1 -80.0 130.4 -38.2 16.8 26.5 15 15 A T E -AB 9 51A 56 36,-1.8 36,-1.8 -2,-0.4 2,-0.5 -0.862 26.4-161.0 -87.0 112.6 -39.6 16.5 23.0 16 16 A L E -AB 8 50A 0 -8,-3.8 -8,-2.0 -2,-0.8 2,-0.4 -0.851 7.3-169.0-101.2 125.0 -38.7 19.9 21.5 17 17 A T E -AB 7 49A 21 32,-3.5 32,-1.6 -2,-0.5 2,-0.4 -0.912 7.9-172.2-117.5 139.1 -40.5 21.1 18.4 18 18 A V E -AB 6 48A 0 -12,-2.9 -12,-1.9 -2,-0.4 2,-0.3 -0.992 8.9-173.4-127.6 142.3 -39.8 24.0 16.1 19 19 A Q E -AB 5 47A 25 28,-3.2 28,-2.0 -2,-0.4 2,-0.5 -0.956 17.5-147.5-134.6 156.5 -42.1 25.2 13.3 20 20 A Q E -AB 4 46A 0 -16,-2.4 -17,-3.6 -2,-0.3 -16,-1.3 -0.977 23.4-174.3-129.0 115.6 -42.0 27.7 10.5 21 21 A W E -AB 2 45A 60 24,-3.5 24,-2.4 -2,-0.5 -19,-0.2 -0.890 53.1 -5.4-115.7 141.3 -45.2 29.5 9.6 22 22 A D E S- 0 0 78 -21,-2.9 2,-0.2 -2,-0.4 -1,-0.1 0.627 71.6-175.1 67.4 27.0 -46.2 31.9 6.8 23 23 A T E + 0 0 13 -22,-0.3 2,-0.4 22,-0.1 21,-0.3 -0.365 9.1 174.3 -71.6 129.1 -42.9 32.6 5.1 24 24 A F E - B 0 43A 97 19,-3.0 19,-2.7 -2,-0.2 2,-0.5 -1.000 14.2-172.8-132.4 127.7 -42.7 35.1 2.3 25 25 A L E - B 0 42A 5 -2,-0.4 2,-0.8 17,-0.2 17,-0.2 -0.893 18.2-164.5-119.3 101.0 -39.4 36.2 0.6 26 26 A N E - B 0 41A 62 15,-2.7 15,-1.7 -2,-0.5 2,-0.2 -0.769 5.0-155.6-103.0 106.3 -40.4 39.1 -1.6 27 27 A G E + B 0 40A 42 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.498 19.5 175.8 -75.7 143.2 -38.0 40.1 -4.3 28 28 A V - 0 0 50 11,-2.0 11,-0.5 -2,-0.2 3,-0.1 -0.887 42.7 -74.2-140.0 166.6 -38.3 43.7 -5.6 29 29 A F - 0 0 173 -2,-0.3 9,-0.1 1,-0.1 6,-0.1 -0.559 63.6-104.9 -65.4 118.3 -36.5 46.0 -8.0 30 30 A P > - 0 0 24 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.158 17.3-140.7 -46.9 144.7 -33.3 47.1 -6.2 31 31 A L T 3 S+ 0 0 0 1,-0.3 209,-0.2 2,-0.1 171,-0.2 0.889 104.0 57.2 -85.8 -34.5 -33.3 50.6 -4.9 32 32 A D T 3 S- 0 0 19 169,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.429 107.7-130.9 -70.6 -4.3 -29.7 51.1 -5.9 33 33 A R < + 0 0 157 -3,-0.9 2,-0.5 1,-0.2 -2,-0.1 0.654 58.5 142.1 62.5 23.0 -30.9 50.3 -9.4 34 34 A N > - 0 0 53 1,-0.1 3,-1.7 169,-0.0 -1,-0.2 -0.814 50.4-150.8-102.0 127.7 -28.1 47.8 -9.9 35 35 A R T 3 S+ 0 0 217 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.520 100.3 62.3 -77.6 -3.8 -28.5 44.5 -11.7 36 36 A L T 3 S+ 0 0 86 67,-0.1 66,-2.6 68,-0.1 2,-0.4 0.518 95.1 88.8 -79.7 -11.4 -25.8 43.1 -9.6 37 37 A T < - 0 0 2 -3,-1.7 2,-0.4 63,-0.2 63,-0.2 -0.745 55.9-166.6-105.8 132.5 -28.0 43.7 -6.6 38 38 A R E + C 0 99A 22 61,-3.4 61,-2.5 -2,-0.4 2,-0.3 -0.899 11.9 174.6-106.4 145.1 -30.7 41.7 -4.9 39 39 A E E + C 0 98A 3 -11,-0.5 -11,-2.0 -2,-0.4 2,-0.3 -0.977 7.5 158.6-150.2 136.9 -33.1 43.2 -2.4 40 40 A W E -BC 27 97A 0 57,-2.7 57,-2.1 -2,-0.3 2,-0.4 -0.911 34.5-118.6-148.9 169.8 -36.1 41.5 -0.7 41 41 A F E -BC 26 96A 14 -15,-1.7 -15,-2.7 -2,-0.3 2,-0.5 -0.979 24.0-148.1-120.1 136.7 -38.5 41.6 2.2 42 42 A H E +BC 25 95A 0 53,-2.8 53,-2.0 -2,-0.4 2,-0.3 -0.884 19.6 171.3-104.5 127.0 -38.8 38.7 4.7 43 43 A S E +B 24 0A 20 -19,-2.7 -19,-3.0 -2,-0.5 2,-0.3 -0.990 20.0 112.5-133.6 148.1 -42.0 37.8 6.4 44 44 A G E - C 0 92A 4 48,-1.7 48,-2.7 -2,-0.3 2,-0.4 -0.978 46.6-115.7 170.9 173.0 -42.8 34.7 8.6 45 45 A R E -BC 21 91A 50 -24,-2.4 -24,-3.5 -2,-0.3 2,-0.4 -0.997 14.9-155.3-140.6 136.5 -43.6 33.3 12.0 46 46 A A E -BC 20 90A 0 44,-2.6 44,-1.5 -2,-0.4 2,-0.3 -0.932 16.2-180.0-108.8 138.5 -41.6 31.0 14.2 47 47 A K E -BC 19 89A 62 -28,-2.0 -28,-3.2 -2,-0.4 2,-0.3 -0.981 6.4-166.6-134.8 152.7 -43.3 28.8 16.8 48 48 A Y E -BC 18 88A 4 40,-2.1 40,-1.3 -2,-0.3 2,-0.3 -0.932 3.5-171.8-130.4 154.2 -42.0 26.2 19.3 49 49 A I E -BC 17 87A 61 -32,-1.6 -32,-3.5 -2,-0.3 2,-0.4 -0.985 2.3-168.7-145.0 142.8 -43.6 23.5 21.5 50 50 A V E -B 16 0A 6 36,-2.0 2,-0.3 -2,-0.3 -34,-0.2 -0.990 5.0-177.7-129.4 137.0 -42.1 21.4 24.3 51 51 A A E +B 15 0A 55 -36,-1.8 -36,-1.8 -2,-0.4 -2,-0.0 -0.902 39.1 49.2-126.5 161.8 -43.6 18.3 26.0 52 52 A G S > S- 0 0 42 -2,-0.3 3,-1.7 -38,-0.2 2,-0.2 -0.498 92.8 -5.1 109.3-175.1 -42.4 16.1 28.9 53 53 A P T 3 S+ 0 0 92 0, 0.0 -2,-0.1 0, 0.0 -39,-0.0 -0.323 131.1 7.3 -57.9 114.2 -40.9 16.5 32.4 54 54 A G T > S+ 0 0 25 -2,-0.2 3,-1.2 4,-0.0 -40,-0.1 0.659 78.7 142.5 91.4 18.7 -40.4 20.2 33.2 55 55 A A G X S+ 0 0 13 -3,-1.7 3,-1.1 1,-0.3 30,-0.1 0.827 73.3 52.7 -60.7 -37.4 -42.0 21.7 30.1 56 56 A D G 3 S+ 0 0 133 1,-0.2 -1,-0.3 29,-0.1 30,-0.1 0.649 104.8 61.6 -69.6 -12.7 -43.5 24.6 32.0 57 57 A E G < S+ 0 0 141 -3,-1.2 2,-0.4 28,-0.1 -1,-0.2 0.089 79.3 134.4 -99.7 19.6 -39.9 25.2 33.3 58 58 A F < + 0 0 1 -3,-1.1 27,-1.9 -8,-0.1 2,-0.4 -0.582 27.3 176.2 -91.8 128.2 -38.4 25.8 29.8 59 59 A E E +I 84 0B 104 -2,-0.4 58,-2.2 25,-0.2 59,-0.3 -0.994 24.9 118.9-123.8 132.7 -35.9 28.6 28.9 60 60 A G E -IJ 83 116B 6 23,-2.0 23,-2.4 -2,-0.4 2,-0.4 -0.848 55.1 -83.2-160.3-161.5 -34.4 29.0 25.5 61 61 A T E -IJ 82 115B 30 54,-2.8 54,-3.1 -2,-0.2 2,-0.5 -0.975 25.7-158.7-123.4 139.5 -33.9 31.1 22.4 62 62 A L E +IJ 81 114B 0 19,-2.9 19,-3.0 -2,-0.4 2,-0.3 -0.990 19.1 175.7-117.1 126.7 -36.3 31.2 19.4 63 63 A E E -IJ 80 113B 30 50,-1.9 50,-2.8 -2,-0.5 2,-0.3 -0.903 13.3-174.5-130.2 156.7 -34.8 32.5 16.1 64 64 A L E +IJ 79 112B 0 15,-1.7 14,-1.6 -2,-0.3 15,-1.4 -0.973 34.0 95.2-148.6 147.8 -36.1 32.9 12.5 65 65 A G E -IJ 77 111B 0 46,-1.7 46,-1.0 -2,-0.3 2,-0.3 -0.890 53.5-102.8 168.3-139.1 -34.2 33.9 9.3 66 66 A Y E -IJ 76 110B 4 10,-1.9 10,-2.6 44,-0.3 2,-0.3 -0.950 20.8-108.7-172.3 153.2 -32.4 32.4 6.3 67 67 A Q E -IJ 75 109B 0 42,-2.4 42,-1.8 -2,-0.3 2,-0.4 -0.756 31.7-137.5 -84.6 150.3 -29.0 31.5 4.9 68 68 A I E -IJ 74 108B 13 6,-3.1 6,-1.4 -2,-0.3 2,-0.6 -0.921 13.4-164.4-107.0 133.8 -27.9 33.6 1.8 69 69 A G E +IJ 73 107B 3 38,-2.0 38,-1.4 -2,-0.4 4,-0.2 -0.889 54.3 71.5-123.4 105.4 -26.2 31.8 -1.0 70 122 A G S S+ 0 0 31 2,-1.8 3,-0.1 -2,-0.6 36,-0.1 -0.108 99.1 22.3-168.1 -95.8 -24.4 34.0 -3.4 71 123 A P S S- 0 0 88 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.501 138.7 -44.2 -68.7 3.3 -21.1 35.8 -2.8 72 124 A G S S- 0 0 24 2,-0.1 -2,-1.8 890,-0.0 2,-0.6 -0.895 79.0 -64.5 154.0 174.9 -20.7 33.1 -0.1 73 125 A I E +I 69 0B 27 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.890 57.4 162.0 -96.0 116.3 -22.8 31.4 2.6 74 126 A Q E -I 68 0B 139 -6,-1.4 -6,-3.1 -2,-0.6 2,-0.5 -0.997 29.4-137.7-131.6 139.5 -23.9 33.7 5.4 75 127 A E E -I 67 0B 75 -2,-0.3 2,-0.5 -8,-0.2 -8,-0.2 -0.844 12.7-161.8 -99.8 128.3 -26.6 33.3 7.9 76 128 A V E -I 66 0B 51 -10,-2.6 -10,-1.9 -2,-0.5 2,-0.8 -0.937 6.6-156.2-108.1 126.9 -29.0 36.1 8.8 77 129 A A E -I 65 0B 50 -2,-0.5 -12,-0.2 -12,-0.2 3,-0.1 -0.902 6.3-170.3 -97.9 106.7 -31.0 35.9 12.0 78 130 A T E S- 0 0 40 -14,-1.6 2,-0.3 -2,-0.8 -13,-0.2 0.920 76.7 -2.2 -69.7 -46.4 -34.0 38.2 11.4 79 131 A F E -I 64 0B 16 -15,-1.4 -15,-1.7 -3,-0.1 2,-0.3 -0.968 63.4-174.0-133.7 157.4 -35.0 38.0 15.0 80 132 A S E +I 63 0B 61 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.903 20.0 174.6-148.2 117.8 -33.5 36.0 17.9 81 133 A V E -I 62 0B 26 -19,-3.0 -19,-2.9 -2,-0.3 2,-0.1 -0.979 33.4-116.7-144.0 138.7 -35.3 36.0 21.3 82 134 A D E -I 61 0B 143 -2,-0.4 2,-0.3 -21,-0.2 -21,-0.2 -0.423 38.3-171.7 -67.7 137.0 -35.3 34.6 24.8 83 135 A V E -I 60 0B 25 -23,-2.4 -23,-2.0 -2,-0.1 2,-0.3 -0.954 16.0-168.2-133.3 153.2 -38.4 32.5 25.6 84 136 A S E +I 59 0B 84 -2,-0.3 -25,-0.2 -25,-0.2 2,-0.2 -0.995 48.4 45.8-138.9 142.0 -39.9 30.8 28.6 85 137 A G S S- 0 0 20 -27,-1.9 -29,-0.1 -2,-0.3 -28,-0.1 -0.479 88.2 -79.4 117.7 169.0 -42.8 28.3 28.8 86 138 A A S S+ 0 0 20 -2,-0.2 -36,-2.0 1,-0.1 2,-0.3 0.685 112.0 32.7 -80.4 -20.4 -43.9 25.2 27.0 87 139 A E E +C 49 0A 142 -38,-0.2 2,-0.3 -3,-0.2 -38,-0.2 -0.983 67.5 127.1-139.5 152.0 -45.3 27.2 24.1 88 140 A G E -C 48 0A 29 -40,-1.3 -40,-2.1 -2,-0.3 2,-0.3 -0.981 18.6-172.2 177.7 173.3 -44.6 30.4 22.2 89 141 A G E -C 47 0A 13 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.846 9.1-152.3 178.1 144.3 -44.0 32.1 18.9 90 142 A V E -C 46 0A 5 -44,-1.5 -44,-2.6 -2,-0.3 2,-0.3 -0.971 12.0-157.3-131.7 144.6 -42.9 35.4 17.3 91 143 A A E -C 45 0A 0 -2,-0.3 163,-1.6 -46,-0.2 2,-0.4 -0.834 1.4-159.8-121.7 155.8 -43.7 36.9 13.9 92 144 A V E -Cd 44 254A 4 -48,-2.7 -48,-1.7 -2,-0.3 2,-0.5 -0.997 2.2-159.9-138.1 132.3 -42.1 39.5 11.6 93 145 A S E S- d 0 255A 19 161,-2.8 163,-0.5 -2,-0.4 -50,-0.2 -0.962 71.2 -8.6-113.5 131.4 -43.6 41.6 8.8 94 146 A N E + 0 0 39 -2,-0.5 -51,-0.2 1,-0.2 -1,-0.1 0.599 68.7 179.7 70.4 24.3 -41.4 43.2 6.1 95 147 A A E -C 42 0A 18 -53,-2.0 -53,-2.8 159,-0.1 2,-0.4 -0.242 27.3-123.3 -56.0 146.4 -37.8 42.6 7.3 96 148 A H E +C 41 0A 47 -55,-0.2 2,-0.3 -18,-0.1 -55,-0.2 -0.798 33.9 169.8-106.3 133.5 -35.3 44.1 4.8 97 149 A G E +C 40 0A 7 -57,-2.1 -57,-2.7 -2,-0.4 2,-0.3 -0.972 0.3 166.8-138.8 148.5 -32.5 42.1 3.2 98 150 A T E -C 39 0A 46 -2,-0.3 2,-0.3 -59,-0.3 -59,-0.3 -0.964 7.7-178.0-160.6 145.6 -30.2 43.0 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