==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION 04-OCT-99 1QMP . COMPND 2 MOLECULE: SPO0A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR R.J.LEWIS,J.A.BRANNIGAN,K.MUCHOVA,I.BARAK,A.J.WILKINSON . 498 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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-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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 6 4 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 12 0 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 2 A S 0 0 90 0, 0.0 2,-0.6 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 162.1 -6.5 24.2 12.0 2 3 A I E -a 27 0A 9 24,-2.6 26,-2.4 47,-0.1 2,-0.7 -0.745 360.0-145.3 -80.4 122.3 -3.6 26.4 11.1 3 4 A K E -a 28 0A 89 -2,-0.6 47,-2.4 24,-0.2 46,-2.3 -0.818 20.6-167.1 -95.1 117.9 -4.6 28.4 8.0 4 5 A V E -ab 29 50A 0 24,-3.1 26,-2.5 -2,-0.7 27,-0.9 -0.888 15.2-166.2-111.0 139.4 -1.6 29.0 5.7 5 6 A C E -ab 31 51A 0 45,-2.6 47,-2.8 -2,-0.4 2,-0.4 -0.906 12.6-152.4-115.2 145.1 -1.1 31.3 2.7 6 7 A I E -ab 32 52A 1 25,-1.8 27,-2.5 -2,-0.3 2,-0.5 -0.976 12.2-178.2-120.3 126.4 1.9 30.8 0.4 7 8 A A E +ab 33 53A 2 45,-2.4 47,-2.0 -2,-0.4 2,-0.3 -0.957 29.0 121.2-129.4 116.0 3.6 33.6 -1.6 8 9 A D - 0 0 5 25,-2.1 6,-0.1 -2,-0.5 49,-0.1 -0.915 55.5-134.2-163.9 145.7 6.5 32.8 -3.9 9 10 A D S S+ 0 0 66 47,-0.3 2,-1.0 -2,-0.3 3,-0.1 0.504 82.4 97.5 -87.9 -0.6 7.0 33.3 -7.7 10 11 A N > - 0 0 76 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.749 59.0-167.5 -86.0 102.0 8.3 29.7 -8.1 11 12 A R H > S+ 0 0 156 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.878 83.5 50.9 -64.1 -37.2 5.2 27.9 -9.2 12 13 A E H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 111.2 48.9 -63.4 -44.9 6.6 24.4 -8.8 13 14 A L H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 108.9 52.6 -64.1 -43.2 7.7 25.2 -5.3 14 15 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.947 109.6 50.0 -58.2 -46.2 4.3 26.7 -4.4 15 16 A S H X S+ 0 0 68 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.926 111.3 48.1 -58.1 -44.1 2.7 23.4 -5.6 16 17 A L H X S+ 0 0 66 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 113.4 47.8 -61.8 -42.7 5.1 21.3 -3.5 17 18 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.920 112.2 49.3 -61.4 -46.3 4.4 23.5 -0.4 18 19 A D H X S+ 0 0 56 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.951 111.9 48.9 -61.8 -47.0 0.7 23.3 -1.0 19 20 A E H X S+ 0 0 131 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.953 115.8 42.6 -58.1 -53.5 0.8 19.5 -1.4 20 21 A Y H < S+ 0 0 32 -4,-2.6 4,-0.4 2,-0.2 3,-0.4 0.917 116.3 45.1 -61.9 -49.0 2.9 19.0 1.8 21 22 A I H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.2 6,-0.2 0.920 111.0 55.3 -63.9 -39.6 1.0 21.5 4.0 22 23 A S H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.779 101.4 59.3 -62.8 -25.6 -2.3 20.1 2.8 23 24 A S T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.560 84.9 96.2 -79.9 -11.1 -1.2 16.6 3.9 24 25 A Q S X S- 0 0 27 -3,-1.5 3,-1.5 -4,-0.4 -3,-0.0 -0.695 72.2-143.1 -81.6 130.9 -0.8 17.7 7.5 25 26 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.821 98.5 47.4 -61.9 -32.4 -3.9 17.0 9.6 26 27 A D T 3 S+ 0 0 52 -25,-0.1 -24,-2.6 -3,-0.0 2,-0.3 0.219 107.8 63.3 -93.2 11.8 -3.6 20.2 11.6 27 28 A M E < -a 2 0A 9 -3,-1.5 2,-0.3 -26,-0.2 -24,-0.2 -0.956 52.0-171.0-138.1 160.0 -3.1 22.6 8.6 28 29 A E E -a 3 0A 92 -26,-2.4 -24,-3.1 -2,-0.3 2,-0.6 -0.985 23.4-131.8-148.3 140.6 -4.8 23.9 5.5 29 30 A V E +a 4 0A 24 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.825 25.9 175.4 -93.0 116.4 -3.7 26.1 2.6 30 31 A I E - 0 0 28 -26,-2.5 2,-0.3 -2,-0.6 -25,-0.2 0.496 61.8 -3.6-101.7 -4.2 -6.3 28.8 2.1 31 32 A G E -a 5 0A 8 -27,-0.9 -25,-1.8 15,-0.0 2,-0.3 -0.942 52.1-156.1-177.4 153.2 -4.5 30.8 -0.6 32 33 A T E -a 6 0A 51 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.983 9.9-170.6-134.9 152.3 -1.4 31.1 -2.8 33 34 A A E -a 7 0A 5 -27,-2.5 -25,-2.1 -2,-0.3 3,-0.1 -0.973 17.3-154.1-142.4 151.3 0.1 34.1 -4.6 34 35 A Y S S+ 0 0 64 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.1 0.389 77.3 21.3-110.4 5.0 2.9 34.4 -7.1 35 36 A N S > S- 0 0 19 22,-0.1 4,-1.7 -27,-0.1 24,-0.1 -0.950 85.7 -96.9-159.3 170.3 4.1 38.0 -6.6 36 37 A G H > S+ 0 0 0 22,-1.2 4,-1.9 24,-1.0 23,-0.1 0.798 118.6 50.8 -64.5 -34.3 4.0 40.7 -3.9 37 38 A Q H > S+ 0 0 78 21,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.926 112.3 46.7 -69.9 -44.4 0.9 42.6 -5.3 38 39 A D H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.821 108.9 57.0 -62.4 -35.9 -1.1 39.4 -5.6 39 40 A C H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.958 107.1 47.4 -60.6 -46.8 -0.0 38.5 -2.0 40 41 A L H X S+ 0 0 6 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.924 112.8 49.3 -61.8 -39.3 -1.4 41.7 -0.7 41 42 A Q H X S+ 0 0 105 -4,-2.0 4,-1.3 1,-0.2 3,-0.5 0.917 109.3 52.2 -65.2 -41.2 -4.7 41.1 -2.6 42 43 A M H X S+ 0 0 9 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.890 107.3 53.2 -60.3 -41.5 -4.9 37.6 -1.2 43 44 A L H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.745 103.3 56.8 -69.8 -22.7 -4.5 39.0 2.3 44 45 A E H < S+ 0 0 119 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.855 118.6 33.4 -69.6 -36.7 -7.4 41.3 1.7 45 46 A E H < S+ 0 0 118 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.786 120.7 44.9 -89.6 -38.3 -9.5 38.3 0.9 46 47 A K < - 0 0 84 -4,-3.2 -41,-0.0 -5,-0.2 -15,-0.0 -0.823 61.7-149.9-113.5 159.1 -8.1 35.6 3.2 47 48 A R - 0 0 178 -2,-0.3 -44,-0.1 29,-0.1 -4,-0.1 -0.660 24.8-177.8-128.4 76.2 -7.2 35.7 6.8 48 49 A P - 0 0 0 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.358 29.5-146.3 -71.3 155.2 -4.3 33.2 7.3 49 50 A D S S+ 0 0 47 -46,-2.3 29,-2.8 1,-0.3 2,-0.4 0.776 91.2 32.0 -82.4 -33.8 -2.8 32.4 10.6 50 51 A I E -bc 4 78A 0 -47,-2.4 -45,-2.6 27,-0.2 2,-0.5 -0.984 64.9-165.6-130.5 134.6 0.5 31.9 8.8 51 52 A L E -bc 5 79A 0 27,-2.6 29,-2.9 -2,-0.4 2,-0.6 -0.979 9.8-154.3-117.9 126.9 2.0 33.4 5.7 52 53 A L E -bc 6 80A 2 -47,-2.8 -45,-2.4 -2,-0.5 2,-0.5 -0.887 24.8-167.2 -96.9 124.0 5.1 31.8 4.0 53 54 A L E -bc 7 81A 0 27,-2.5 29,-3.0 -2,-0.6 2,-0.2 -0.959 17.3-158.9-128.4 118.6 6.8 34.7 2.2 54 55 A X - 0 0 20 -47,-2.0 29,-0.2 -2,-0.5 3,-0.1 -0.582 11.4-149.8 -80.3 156.2 9.5 34.6 -0.4 55 56 A I S S+ 0 0 8 -2,-0.2 7,-2.5 27,-0.2 2,-1.1 0.889 76.5 64.4 -94.3 -57.4 11.5 37.8 -0.8 56 57 A I S S+ 0 0 88 5,-0.2 -47,-0.3 6,-0.1 -1,-0.2 -0.570 71.2 133.0 -73.0 98.5 12.7 38.1 -4.4 57 58 A M - 0 0 16 -2,-1.1 -22,-0.1 -3,-0.1 -23,-0.0 -0.986 54.7 -95.9-144.6 157.2 9.4 38.4 -6.5 58 59 A P S S+ 0 0 60 0, 0.0 2,-2.2 0, 0.0 -22,-1.2 -0.188 96.0 12.5 -75.1 161.5 8.2 40.6 -9.3 59 60 A H S S+ 0 0 154 -24,-0.1 2,-0.3 -23,-0.1 -24,-0.1 -0.335 136.6 11.6 72.4 -53.1 6.1 43.7 -8.9 60 61 A L S S- 0 0 32 -2,-2.2 -24,-1.0 3,-0.0 -23,-0.1 -0.965 81.7-133.3-150.9 128.7 6.6 44.1 -5.1 61 62 A D > - 0 0 69 -2,-0.3 4,-2.1 -26,-0.1 3,-0.4 -0.369 29.3-100.4 -89.6 169.9 9.2 42.1 -3.0 62 63 A G H > S+ 0 0 0 -7,-2.5 4,-2.5 1,-0.2 -7,-0.1 0.797 120.4 53.7 -64.5 -26.0 8.6 40.2 0.2 63 64 A L H > S+ 0 0 29 2,-0.2 4,-2.3 -8,-0.2 -1,-0.2 0.908 109.5 48.4 -75.3 -33.2 10.1 42.9 2.4 64 65 A A H > S+ 0 0 26 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.851 112.2 51.1 -67.9 -39.0 7.8 45.5 0.9 65 66 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.958 108.6 50.7 -57.8 -49.1 5.0 43.0 1.5 66 67 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.924 111.2 47.8 -56.6 -50.3 6.1 42.7 5.2 67 68 A E H X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.944 112.0 50.0 -60.2 -43.6 6.1 46.4 5.7 68 69 A R H X S+ 0 0 124 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.835 106.9 54.5 -63.4 -37.8 2.7 46.8 4.0 69 70 A I H X S+ 0 0 3 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.937 110.8 45.2 -61.9 -46.6 1.1 44.1 6.2 70 71 A R H < S+ 0 0 115 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 122.8 35.8 -64.9 -44.7 2.2 45.8 9.4 71 72 A A H < S+ 0 0 87 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.679 124.7 33.9 -83.7 -21.7 1.1 49.3 8.3 72 73 A G H < S+ 0 0 60 -4,-2.4 2,-0.4 -5,-0.2 -3,-0.2 0.471 99.0 70.0-118.3 -3.5 -2.0 48.6 6.3 73 74 A F < - 0 0 34 -4,-1.3 -29,-0.0 -5,-0.2 -1,-0.0 -0.939 51.6-154.6-125.1 143.8 -4.0 45.7 7.6 74 75 A E S S+ 0 0 203 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.923 90.3 54.6 -71.3 -54.5 -6.1 45.1 10.7 75 76 A H S S- 0 0 70 -32,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.722 74.5-168.4 -79.4 131.5 -5.7 41.3 10.6 76 77 A Q - 0 0 86 -2,-0.4 -29,-0.1 -29,-0.1 3,-0.0 -0.933 11.0-148.9-130.5 119.1 -2.0 40.2 10.6 77 78 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 -0.271 33.2-105.8 -66.4 161.1 -0.8 36.7 9.9 78 79 A N E -c 50 0A 33 -29,-2.8 -27,-2.6 21,-0.1 2,-0.5 -0.767 44.7-140.9 -83.0 135.2 2.4 35.6 11.6 79 80 A V E -c 51 0A 5 -2,-0.4 21,-2.4 19,-0.4 22,-1.4 -0.860 19.9-167.9-109.7 135.1 5.0 35.7 8.7 80 81 A I E -cd 52 101A 0 -29,-2.9 -27,-2.5 -2,-0.5 2,-0.3 -0.972 20.6-139.9-115.3 114.8 7.7 33.2 8.1 81 82 A M E -cd 53 102A 0 20,-2.3 22,-3.0 -2,-0.5 2,-0.5 -0.620 19.2-173.8 -72.7 139.1 10.2 34.4 5.4 82 83 A L E + d 0 103A 3 -29,-3.0 2,-0.3 -2,-0.3 -27,-0.2 -0.911 29.8 133.1-137.9 96.3 11.2 31.4 3.2 83 84 A T E - d 0 104A 0 20,-2.0 22,-1.5 -2,-0.5 3,-0.1 -0.994 64.1-130.8-150.5 158.7 13.9 32.6 0.9 84 85 A A S S+ 0 0 61 -2,-0.3 2,-1.3 20,-0.2 -1,-0.1 0.685 92.1 82.8 -77.5 -19.8 17.3 32.0 -0.7 85 86 A F + 0 0 96 1,-0.1 2,-1.1 -3,-0.0 -1,-0.2 -0.510 43.0 156.0 -93.5 75.0 18.5 35.5 0.3 86 87 A G + 0 0 37 -2,-1.3 -1,-0.1 19,-0.1 2,-0.1 -0.278 21.3 161.5 -92.9 57.1 19.7 35.3 3.9 87 88 A Q >> - 0 0 75 -2,-1.1 4,-2.2 1,-0.1 3,-0.6 -0.463 51.0-111.1 -75.8 146.0 22.0 38.4 3.5 88 89 A E H 3> S+ 0 0 150 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.752 115.9 42.7 -49.9 -44.0 23.0 40.1 6.8 89 90 A D H 3> S+ 0 0 97 2,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.835 112.5 55.0 -74.3 -31.0 21.0 43.3 6.3 90 91 A V H <> S+ 0 0 20 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.901 105.8 49.7 -70.4 -43.4 18.0 41.4 5.0 91 92 A T H X S+ 0 0 50 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.927 113.5 47.5 -58.1 -48.4 17.6 39.1 8.1 92 93 A K H X S+ 0 0 137 -4,-1.1 4,-2.5 -5,-0.3 -2,-0.2 0.927 112.1 49.6 -60.0 -43.7 17.9 42.2 10.3 93 94 A K H X S+ 0 0 71 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 107.7 55.4 -64.2 -41.5 15.3 44.1 8.2 94 95 A A H <>S+ 0 0 1 -4,-2.6 5,-2.8 2,-0.2 4,-0.4 0.957 110.6 43.5 -58.1 -47.2 12.9 41.1 8.4 95 96 A V H ><5S+ 0 0 102 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.955 112.5 52.7 -69.6 -38.5 13.0 41.0 12.1 96 97 A E H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.903 108.6 52.4 -59.0 -38.0 12.6 44.8 12.4 97 98 A L T 3<5S- 0 0 4 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.508 128.0 -94.2 -79.1 -3.0 9.6 44.6 10.1 98 99 A G T < 5 + 0 0 47 -3,-1.6 -19,-0.4 -4,-0.4 -3,-0.2 0.497 63.8 160.6 106.4 7.7 7.8 41.9 12.2 99 100 A A < - 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