==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 18-DEC-00 1HH2 . COMPND 2 MOLECULE: N UTILIZATION SUBSTANCE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.WORBS,G.P.BOURENKOV,H.D.BARTUNIK,R.HUBER,M.C.WAHL . 344 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 15.7 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 . 1 0.3 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-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 . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 19.8 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 2 1 2 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 3 1 2 0 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 . 1 3 0 1 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 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 P M 0 0 3 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 -51.1 -118.9 29.7 14.2 2 2 P N - 0 0 12 97,-0.1 54,-0.3 2,-0.1 97,-0.1 -0.787 360.0-157.2-104.3 145.4 -120.8 29.9 10.9 3 3 P I + 0 0 57 -2,-0.3 2,-2.2 52,-0.1 -1,-0.1 0.094 43.9 143.5-103.6 19.7 -123.9 28.0 9.9 4 4 P G S S- 0 0 47 51,-0.0 2,-0.1 1,-0.0 -2,-0.1 -0.392 76.1 -88.5 -63.5 82.3 -123.1 28.4 6.2 5 5 P L S S+ 0 0 153 -2,-2.2 51,-0.3 1,-0.1 50,-0.1 -0.271 82.6 129.7 50.6-115.1 -124.3 25.0 5.1 6 6 P L + 0 0 58 -2,-0.1 3,-0.3 49,-0.1 49,-0.2 0.095 36.7 68.5 59.2-179.1 -121.3 22.7 5.5 7 7 P E S S+ 0 0 24 1,-0.2 2,-3.1 47,-0.1 3,-0.2 0.400 84.1 42.4 56.6 164.6 -121.5 19.3 7.3 8 8 P A S > S+ 0 0 55 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 -0.363 113.1 55.6 65.9 -69.9 -123.3 16.2 6.4 9 9 P L T 3 S+ 0 0 148 -2,-3.1 -1,-0.3 -3,-0.3 -2,-0.1 0.947 107.5 47.6 -55.6 -51.7 -122.2 16.5 2.7 10 10 P D T > S+ 0 0 78 -3,-0.2 3,-0.8 2,-0.1 2,-0.6 0.720 88.3 108.4 -63.1 -19.3 -118.6 16.6 3.7 11 11 P Q T < S- 0 0 42 -3,-0.5 3,-0.2 1,-0.3 8,-0.0 -0.473 105.6 -24.4 -62.8 109.6 -119.3 13.6 5.9 12 12 P L T 3 S- 0 0 57 -2,-0.6 2,-1.2 1,-0.2 -1,-0.3 0.953 73.0-177.4 45.4 72.3 -117.6 10.8 4.0 13 13 P E S < S- 0 0 145 -3,-0.8 -1,-0.2 1,-0.4 -3,-0.1 -0.562 72.3 -31.1 -95.9 66.1 -117.6 12.3 0.5 14 14 P E S S+ 0 0 173 -2,-1.2 -1,-0.4 -3,-0.2 -2,-0.1 0.496 116.8 41.6 88.6 128.7 -116.0 9.1 -0.9 15 15 P E S S+ 0 0 150 -3,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.456 87.8 26.8 80.9 140.0 -113.6 6.8 0.9 16 16 P K S S- 0 0 112 1,-0.1 2,-0.6 -4,-0.1 -2,-0.2 0.521 71.4-105.9 59.7 154.8 -113.6 5.5 4.5 17 17 P G + 0 0 76 2,-0.0 2,-0.6 -3,-0.0 -1,-0.1 -0.914 39.4 177.6-116.6 101.9 -116.4 4.9 7.0 18 18 P I - 0 0 25 -2,-0.6 2,-0.7 2,-0.0 100,-0.0 -0.898 19.4-149.5-112.6 109.0 -116.4 7.6 9.7 19 19 P S >> - 0 0 82 -2,-0.6 3,-1.2 1,-0.1 4,-0.7 -0.643 8.0-148.1 -77.3 114.1 -119.2 7.5 12.3 20 20 P K H 3> S+ 0 0 80 -2,-0.7 4,-1.2 1,-0.3 -1,-0.1 0.313 76.5 106.4 -64.8 12.1 -119.9 11.1 13.4 21 21 P E H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.614 103.0 14.0 -66.4 -9.3 -120.7 9.5 16.8 22 22 P E H <> S+ 0 0 68 -3,-1.2 4,-1.5 3,-0.1 5,-0.2 0.494 112.5 77.7-136.2 -24.4 -117.3 11.1 17.6 23 23 P V H X S+ 0 0 3 -4,-0.7 4,-1.7 1,-0.2 -2,-0.1 0.897 100.2 44.1 -58.6 -41.3 -116.6 13.5 14.8 24 24 P I H X S+ 0 0 11 -4,-1.2 4,-4.1 2,-0.2 5,-0.3 0.931 105.7 55.9 -74.6 -45.6 -119.0 16.1 16.1 25 25 P P H > S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.881 115.3 43.0 -55.0 -34.4 -118.2 16.1 19.9 26 26 P I H X S+ 0 0 71 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.869 113.1 51.6 -76.2 -38.6 -114.6 16.8 18.8 27 27 P L H X S+ 0 0 0 -4,-1.7 4,-3.8 -5,-0.2 5,-0.2 0.932 108.7 51.9 -62.4 -45.1 -115.8 19.4 16.2 28 28 P E H X S+ 0 0 40 -4,-4.1 4,-2.8 2,-0.2 -2,-0.2 0.966 110.5 47.4 -53.4 -56.2 -117.8 21.1 18.9 29 29 P K H X S+ 0 0 157 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.922 117.0 43.0 -50.0 -53.7 -114.8 21.3 21.2 30 30 P A H X S+ 0 0 28 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.895 110.8 55.8 -61.9 -42.5 -112.7 22.6 18.4 31 31 P L H X S+ 0 0 0 -4,-3.8 4,-3.8 2,-0.2 5,-0.3 0.876 103.4 54.5 -59.8 -38.5 -115.4 24.9 17.2 32 32 P V H X S+ 0 0 46 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.969 113.6 42.1 -59.6 -47.1 -115.6 26.5 20.7 33 33 P S H X S+ 0 0 68 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.832 115.0 52.1 -65.4 -33.1 -111.8 27.2 20.3 34 34 P A H < S+ 0 0 14 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.929 108.2 48.7 -67.7 -47.9 -112.4 28.2 16.7 35 35 P Y H <>S+ 0 0 20 -4,-3.8 5,-0.5 1,-0.2 3,-0.4 0.884 112.2 53.9 -57.2 -40.5 -115.2 30.7 17.8 36 36 P R H ><5S+ 0 0 89 -4,-2.1 2,-2.5 -5,-0.3 3,-1.1 0.990 106.4 46.6 -58.5 -68.9 -112.7 31.9 20.4 37 37 P K T 3<5S+ 0 0 156 -4,-2.5 -1,-0.3 1,-0.3 -4,-0.0 -0.460 111.7 53.9 -77.9 71.3 -109.8 32.7 18.1 38 38 P N T 3 5S+ 0 0 63 -2,-2.5 -1,-0.3 -3,-0.4 -2,-0.1 0.184 126.9 4.1 172.6 24.3 -111.9 34.5 15.6 39 39 P F T < 5S- 0 0 97 -3,-1.1 2,-0.3 63,-0.0 -3,-0.1 -0.248 110.5 -63.5-175.9 -78.6 -113.7 37.1 17.8 40 40 P G < - 0 0 25 -5,-0.5 3,-0.3 -4,-0.3 -3,-0.0 -0.940 25.9-113.9 176.9 163.6 -112.7 37.2 21.4 41 41 P N S S+ 0 0 119 -2,-0.3 -5,-0.1 1,-0.2 -4,-0.1 0.127 87.3 101.8 -98.3 19.0 -112.5 35.3 24.6 42 42 P S S S+ 0 0 75 -6,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.910 75.1 54.6 -68.2 -44.2 -115.0 37.8 26.2 43 43 P K S S- 0 0 60 -3,-0.3 2,-0.6 -7,-0.1 -3,-0.1 -0.790 78.5-136.6 -97.1 131.8 -118.0 35.5 25.9 44 44 P N - 0 0 98 -2,-0.4 17,-2.4 17,-0.4 2,-0.3 -0.765 38.7-175.7 -83.8 120.4 -118.1 32.0 27.3 45 45 P V E -A 60 0A 15 -2,-0.6 2,-0.4 15,-0.2 15,-0.2 -0.846 25.5-154.7-124.9 158.3 -119.7 29.9 24.5 46 46 P E E -A 59 0A 58 13,-2.3 13,-2.4 -2,-0.3 2,-0.6 -0.982 12.0-149.4-126.4 136.4 -121.0 26.4 23.9 47 47 P V E -A 58 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.948 19.1-172.3-111.5 123.9 -121.2 24.9 20.4 48 48 P V E +A 57 0A 29 9,-2.3 9,-1.4 -2,-0.6 2,-0.2 -0.869 19.4 176.2-119.6 150.0 -124.0 22.4 19.9 49 49 P I - 0 0 3 -2,-0.3 2,-2.0 7,-0.1 6,-0.1 -0.714 9.4-168.4-150.7 89.7 -124.8 20.1 17.0 50 50 P D - 0 0 122 4,-0.3 4,-0.2 5,-0.2 3,-0.1 -0.355 47.0-106.0 -82.0 59.7 -127.7 17.7 17.8 51 51 P R S > S+ 0 0 115 -2,-2.0 3,-2.6 1,-0.2 -1,-0.2 -0.073 90.9 80.9 52.7-153.3 -127.2 15.6 14.7 52 52 P N T 3 S- 0 0 150 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.360 121.8 -4.4 58.3-128.4 -129.6 15.9 11.8 53 53 P T T 3 S- 0 0 90 1,-0.2 2,-2.2 -3,-0.1 -1,-0.3 0.763 90.0-152.0 -63.9 -20.4 -128.6 18.9 9.8 54 54 P G < - 0 0 12 -3,-2.6 -4,-0.3 1,-0.2 -1,-0.2 -0.411 20.3-173.0 82.0 -60.4 -126.1 19.3 12.5 55 55 P N - 0 0 66 -2,-2.2 2,-0.3 -49,-0.2 -5,-0.2 0.860 30.2-110.4 31.1 108.2 -126.1 23.1 11.9 56 56 P I + 0 0 4 -51,-0.3 2,-0.4 -54,-0.3 -1,-0.1 -0.436 48.4 169.6 -62.0 116.3 -123.4 24.9 13.9 57 57 P K E -A 48 0A 74 -9,-1.4 -9,-2.3 -2,-0.3 2,-0.3 -0.997 16.6-155.2-134.0 132.5 -125.2 26.9 16.5 58 58 P V E -A 47 0A 1 -2,-0.4 39,-2.9 40,-0.3 2,-0.4 -0.816 3.1-161.3-110.9 149.5 -123.6 28.7 19.5 59 59 P Y E -AB 46 96A 52 -13,-2.4 -13,-2.3 -2,-0.3 2,-0.6 -0.974 17.0-134.4-125.7 140.3 -125.0 29.7 22.9 60 60 P Q E -AB 45 95A 19 35,-3.5 35,-2.8 -2,-0.4 2,-0.3 -0.835 25.2-136.1 -92.9 122.3 -123.5 32.2 25.3 61 61 P L E - B 0 94A 37 -17,-2.4 2,-0.4 -2,-0.6 -17,-0.4 -0.644 23.2-172.5 -80.4 135.1 -123.5 30.9 28.8 62 62 P L E - B 0 93A 8 31,-2.7 31,-2.8 -2,-0.3 2,-0.4 -0.997 20.4-134.3-132.8 133.0 -124.7 33.3 31.5 63 63 P E E - B 0 92A 98 -2,-0.4 12,-2.4 29,-0.2 2,-0.6 -0.708 24.7-127.6 -84.3 129.8 -124.6 32.8 35.3 64 64 P V E +c 75 0B 0 27,-2.9 26,-2.3 -2,-0.4 2,-0.2 -0.672 42.0 171.7 -80.5 119.5 -127.9 33.8 36.9 65 65 P V E -c 76 0B 17 10,-2.8 12,-0.6 -2,-0.6 3,-0.2 -0.780 47.7-117.4-128.3 172.6 -127.1 36.2 39.7 66 66 P E S S+ 0 0 169 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.816 105.9 17.4 -74.9 -35.0 -128.7 38.5 42.3 67 67 P E S S- 0 0 143 8,-0.1 2,-0.4 9,-0.1 -1,-0.3 -0.959 78.1-133.6-144.2 122.5 -127.0 41.6 40.7 68 68 P V + 0 0 54 -2,-0.3 6,-0.1 -3,-0.2 8,-0.0 -0.623 35.7 154.7 -79.7 124.4 -125.4 41.8 37.3 69 69 P E S S+ 0 0 155 -2,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.543 75.4 39.6-117.9 -25.3 -121.9 43.5 37.2 70 70 P D > - 0 0 74 1,-0.1 3,-1.3 2,-0.0 -1,-0.2 -0.870 64.9-170.9-129.4 100.4 -120.6 41.9 34.0 71 71 P P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.674 82.5 67.4 -62.5 -19.9 -123.2 41.6 31.4 72 72 P A T 3 S+ 0 0 29 -29,-0.0 -28,-0.4 -10,-0.0 2,-0.2 0.784 121.7 15.5 -72.4 -25.9 -121.1 39.5 29.1 73 73 P T S < S+ 0 0 50 -3,-1.3 -11,-0.1 -30,-0.1 -30,-0.0 -0.454 114.9 51.6-122.7-165.0 -121.4 36.8 31.7 74 74 P Q - 0 0 36 -2,-0.2 2,-0.3 1,-0.1 -10,-0.2 0.759 55.3-166.8 42.3 139.0 -124.1 37.1 34.5 75 75 P I E -c 64 0B 17 -12,-2.4 -10,-2.8 -3,-0.0 -1,-0.1 -0.986 25.0-103.1-150.0 150.2 -127.8 37.6 34.0 76 76 P S E > -c 65 0B 45 -2,-0.3 4,-3.1 -12,-0.2 5,-0.1 -0.411 29.1-118.0 -75.5 158.1 -130.7 38.6 36.3 77 77 P L H > S+ 0 0 52 -12,-0.6 4,-2.5 2,-0.2 5,-0.2 0.916 115.5 51.4 -58.0 -49.3 -133.3 36.0 37.5 78 78 P E H > S+ 0 0 137 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.922 115.8 40.3 -57.2 -46.0 -136.1 37.8 35.8 79 79 P E H > S+ 0 0 87 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.882 112.8 56.5 -73.3 -33.6 -134.2 38.0 32.5 80 80 P A H >X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 3,-1.2 0.883 101.2 57.5 -62.4 -40.6 -132.9 34.4 33.0 81 81 P K H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 95.3 63.0 -64.2 -27.2 -136.5 33.0 33.3 82 82 P K H 3< S+ 0 0 145 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.786 112.9 37.8 -68.4 -24.3 -137.6 34.4 30.0 83 83 P I H << S+ 0 0 71 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.858 137.0 13.6 -93.3 -42.3 -134.9 32.1 28.5 84 84 P D >< - 0 0 62 -4,-2.4 3,-2.8 1,-0.1 -1,-0.3 -0.882 65.7-155.7-142.1 103.8 -135.4 29.1 30.8 85 85 P P T 3 S+ 0 0 99 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.737 96.0 54.3 -44.8 -35.7 -138.6 29.1 33.0 86 86 P L T 3 S+ 0 0 152 -6,-0.1 -5,-0.1 -3,-0.1 -6,-0.0 0.524 79.8 129.1 -84.4 -4.8 -136.8 26.8 35.5 87 87 P A < + 0 0 2 -3,-2.8 2,-0.3 -7,-0.2 -6,-0.1 -0.207 31.5 177.5 -58.0 134.9 -133.8 29.1 36.0 88 88 P E > - 0 0 136 -8,-0.1 3,-2.8 -24,-0.0 -24,-0.3 -0.874 46.2 -75.0-130.2 162.8 -132.9 30.0 39.6 89 89 P V T 3 S+ 0 0 49 -2,-0.3 -24,-0.2 1,-0.3 3,-0.1 -0.379 126.9 34.7 -58.1 132.5 -130.0 32.1 41.0 90 90 P G T 3 S+ 0 0 55 -26,-2.3 -1,-0.3 1,-0.4 2,-0.1 0.294 96.8 116.5 101.9 -12.2 -127.0 29.8 40.7 91 91 P S < - 0 0 39 -3,-2.8 -27,-2.9 -27,-0.1 2,-0.5 -0.426 62.6-130.8 -83.9 166.2 -128.3 28.4 37.4 92 92 P I E -B 63 0A 88 -29,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.984 20.7-163.8-118.4 129.0 -126.6 28.7 34.1 93 93 P V E -B 62 0A 2 -31,-2.8 -31,-2.7 -2,-0.5 2,-0.6 -0.848 10.3-140.8-111.8 147.9 -128.8 29.9 31.2 94 94 P K E -B 61 0A 97 -2,-0.3 2,-0.6 -33,-0.2 -33,-0.2 -0.934 10.8-163.2-116.7 116.6 -127.8 29.5 27.5 95 95 P K E -B 60 0A 112 -35,-2.8 -35,-3.5 -2,-0.6 2,-0.1 -0.862 20.7-128.7-100.3 117.6 -128.5 32.4 25.1 96 96 P E E -B 59 0A 101 -2,-0.6 -37,-0.3 -37,-0.3 2,-0.2 -0.375 25.2-162.7 -65.1 137.6 -128.4 31.5 21.4 97 97 P L - 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