==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JAN-04 1V8H . COMPND 2 MOLECULE: SULFUR OXIDATION PROTEIN SOXZ; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB8; . AUTHOR N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 41.5 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.5 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.8 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 . 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 2 2 4 2 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 2 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 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 P 0 0 133 0, 0.0 2,-0.3 0, 0.0 97,-0.2 0.000 360.0 360.0 360.0 154.3 29.5 28.4 31.5 2 3 A F - 0 0 21 95,-2.3 97,-0.4 1,-0.1 25,-0.1 -0.816 360.0 -94.4-105.6 145.4 27.0 27.8 28.7 3 4 A R + 0 0 135 -2,-0.3 23,-2.9 23,-0.2 2,-0.3 -0.267 46.4 175.6 -58.4 136.6 23.8 29.9 28.2 4 5 A T E -A 25 0A 3 95,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.995 12.9-167.1-143.9 142.7 20.7 28.5 29.7 5 6 A I E -A 24 0A 1 19,-2.3 19,-2.7 -2,-0.3 2,-0.4 -0.999 6.1-157.9-133.3 135.6 17.1 29.8 30.0 6 7 A A E +A 23 0A 0 95,-0.4 2,-0.3 -2,-0.4 17,-0.2 -0.918 16.1 173.4-113.4 138.1 14.3 28.5 32.2 7 8 A R E -A 22 0A 25 15,-2.6 15,-3.0 -2,-0.4 2,-0.4 -0.968 23.0-135.7-142.1 157.1 10.7 29.1 31.5 8 9 A L E -A 21 0A 4 -2,-0.3 13,-0.2 169,-0.3 4,-0.1 -0.907 21.2-128.9-113.5 143.4 7.3 28.0 32.9 9 10 A N E S+A 20 0A 70 11,-2.3 11,-2.5 -2,-0.4 2,-0.2 -0.947 105.6 27.7-138.3 111.6 4.3 27.0 30.8 10 11 A P S S- 0 0 61 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.585 97.4-140.1 -62.4 157.7 1.9 28.4 31.5 11 12 A A S S+ 0 0 18 1,-0.3 94,-0.4 -2,-0.2 -2,-0.1 0.869 94.3 22.6 -60.5 -36.9 4.0 31.3 32.8 12 13 A K S S- 0 0 107 92,-0.1 -1,-0.3 -4,-0.1 94,-0.1 -0.676 82.0-175.1-133.6 80.2 1.8 31.8 35.8 13 14 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.270 25.3-114.3 -70.3 162.1 -0.2 28.6 36.6 14 15 A K > - 0 0 139 92,-0.3 3,-2.2 1,-0.1 66,-0.3 -0.605 44.3 -74.6 -96.4 159.8 -2.8 28.6 39.4 15 16 A A T 3 S+ 0 0 68 1,-0.3 66,-0.2 -2,-0.2 -1,-0.1 -0.220 119.5 18.7 -52.9 134.9 -2.6 26.7 42.7 16 17 A G T 3 S+ 0 0 42 64,-4.1 -1,-0.3 1,-0.3 2,-0.2 0.258 97.7 122.6 87.8 -12.5 -3.3 23.0 42.1 17 18 A E < - 0 0 82 -3,-2.2 63,-3.0 63,-0.1 -1,-0.3 -0.523 63.2-120.8 -86.1 151.4 -2.6 23.1 38.4 18 19 A E E + B 0 79A 115 61,-0.2 2,-0.3 -2,-0.2 61,-0.2 -0.634 39.7 169.8 -84.8 145.1 -0.0 21.0 36.6 19 20 A F E - B 0 78A 2 59,-2.6 59,-2.5 -2,-0.3 2,-0.4 -0.951 27.7-116.9-149.6 167.4 2.6 23.0 34.7 20 21 A R E -AB 9 77A 99 -11,-2.5 -11,-2.3 -2,-0.3 2,-0.5 -0.911 8.3-152.4-116.5 139.1 5.9 22.4 32.9 21 22 A L E -AB 8 76A 0 55,-3.1 55,-2.4 -2,-0.4 2,-0.4 -0.939 20.6-166.6-102.7 124.9 9.3 23.8 33.6 22 23 A Q E -AB 7 75A 32 -15,-3.0 -15,-2.6 -2,-0.5 2,-0.5 -0.965 6.8-169.4-117.7 132.7 11.3 24.0 30.4 23 24 A V E -AB 6 74A 0 51,-2.9 51,-2.8 -2,-0.4 2,-0.4 -0.980 2.0-169.1-123.6 121.3 15.1 24.5 30.4 24 25 A V E -AB 5 73A 3 -19,-2.7 -19,-2.3 -2,-0.5 2,-0.4 -0.915 4.4-166.9-111.7 135.8 16.9 25.3 27.2 25 26 A A E -A 4 0A 0 47,-2.3 2,-0.9 -2,-0.4 -21,-0.2 -0.946 23.0-134.5-122.0 142.0 20.7 25.2 26.9 26 27 A Q + 0 0 48 -23,-2.9 -23,-0.2 -2,-0.4 88,-0.1 -0.866 57.0 135.0 -91.4 108.5 22.9 26.5 24.2 27 28 A H - 0 0 3 -2,-0.9 44,-3.3 -25,-0.1 -2,-0.1 -0.966 57.6-139.4-159.3 138.8 25.2 23.5 23.9 28 29 A P - 0 0 62 0, 0.0 42,-0.1 0, 0.0 18,-0.1 0.761 24.7-150.8 -73.2 -22.0 26.8 21.5 21.0 29 30 A N - 0 0 2 16,-0.2 39,-0.3 1,-0.2 17,-0.3 0.942 22.7-165.3 46.6 51.2 26.3 18.1 22.7 30 31 A E B -C 45 0B 30 15,-1.8 15,-2.7 1,-0.1 -1,-0.2 -0.510 13.5-155.2 -68.9 125.2 29.4 17.0 20.7 31 32 A P - 0 0 34 0, 0.0 13,-0.3 0, 0.0 -1,-0.1 0.731 28.0-123.7 -77.5 -22.0 29.6 13.2 20.8 32 33 A G S S+ 0 0 23 10,-0.3 12,-0.2 11,-0.3 -2,-0.1 0.411 95.7 84.8 92.3 -0.1 33.3 12.8 20.2 33 34 A T + 0 0 107 10,-0.1 2,-0.2 8,-0.1 -3,-0.0 0.467 64.9 96.1-110.1 -9.3 32.8 10.6 17.2 34 35 A R - 0 0 81 8,-0.4 8,-2.7 1,-0.0 2,-0.3 -0.551 61.9-145.1 -84.3 151.8 32.4 13.3 14.5 35 36 A R B -D 41 0C 158 6,-0.3 6,-0.2 -2,-0.2 -2,-0.1 -0.863 5.4-129.8-119.0 151.8 35.3 14.4 12.4 36 37 A D > - 0 0 61 4,-2.6 3,-1.9 -2,-0.3 -1,-0.1 -0.133 49.8 -77.9 -83.2-173.1 36.3 17.8 10.9 37 38 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 132.8 52.1 -60.2 -25.5 37.2 18.4 7.3 38 39 A E T 3 S- 0 0 177 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.422 121.0-106.2 -91.4 0.2 40.7 16.9 7.8 39 40 A G S < S+ 0 0 35 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.599 73.6 142.1 86.3 11.2 39.2 13.7 9.3 40 41 A K - 0 0 136 1,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.705 55.5-110.6 -88.9 136.8 40.3 14.7 12.9 41 42 A L B -D 35 0C 79 -2,-0.4 -6,-0.3 -6,-0.2 -8,-0.1 -0.347 20.3-134.8 -65.6 142.1 37.9 13.8 15.7 42 43 A I - 0 0 62 -8,-2.7 -8,-0.4 -2,-0.0 -10,-0.3 -0.899 35.9-109.7 -97.9 117.6 36.1 16.7 17.4 43 44 A P - 0 0 100 0, 0.0 -11,-0.3 0, 0.0 -10,-0.1 -0.111 34.6-101.5 -50.5 140.3 36.3 15.9 21.2 44 45 A A + 0 0 34 -13,-0.3 2,-0.2 -12,-0.2 -15,-0.0 -0.273 44.9 163.3 -63.5 146.3 33.2 15.0 23.1 45 46 A K B +C 30 0B 47 -15,-2.7 -15,-1.8 48,-0.1 2,-0.3 -0.623 16.4 150.8-165.4 94.1 31.4 17.6 25.2 46 47 A Y - 0 0 58 -17,-0.3 47,-2.2 -2,-0.2 2,-0.3 -0.967 49.9-100.6-135.9 151.1 27.8 16.8 26.1 47 48 A I E +E 92 0D 0 -2,-0.3 45,-0.3 45,-0.3 18,-0.1 -0.520 39.8 168.3 -69.2 126.1 25.5 17.5 28.9 48 49 A N E + 0 0 65 43,-2.1 2,-0.3 -2,-0.3 44,-0.2 0.432 58.2 38.6-121.6 1.2 25.3 14.6 31.3 49 50 A L E +E 91 0D 31 42,-1.4 42,-2.3 14,-0.2 2,-0.4 -0.954 48.9 178.0-155.8 133.0 23.5 16.0 34.4 50 51 A V E -EF 90 62D 0 12,-2.3 12,-2.3 -2,-0.3 2,-0.4 -0.992 11.5-172.8-133.8 122.2 20.6 18.3 35.0 51 52 A E E -EF 89 61D 39 38,-2.7 38,-2.6 -2,-0.4 2,-0.5 -0.977 7.6-156.7-122.9 130.4 19.4 19.0 38.5 52 53 A V E -EF 88 60D 0 8,-2.8 7,-3.0 -2,-0.4 8,-1.4 -0.907 10.1-173.9-109.2 128.0 16.3 21.0 39.4 53 54 A Y E -EF 87 58D 64 34,-3.0 34,-2.5 -2,-0.5 2,-0.4 -0.905 8.2-166.4-118.7 146.9 15.8 22.7 42.8 54 55 A F E > S-EF 86 57D 43 3,-2.7 3,-0.9 -2,-0.3 32,-0.2 -0.977 77.5 -18.8-134.4 118.3 12.8 24.5 44.2 55 56 A E T 3 S- 0 0 121 30,-2.1 31,-0.1 -2,-0.4 -1,-0.1 0.902 131.1 -46.1 51.0 48.2 13.2 26.7 47.2 56 57 A G T 3 S+ 0 0 79 29,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.644 118.5 103.5 74.0 16.5 16.5 25.0 48.2 57 58 A E E < S-F 54 0D 133 -3,-0.9 -3,-2.7 0, 0.0 2,-0.3 -0.996 73.5-117.8-133.7 134.3 15.4 21.4 47.7 58 59 A K E +F 53 0D 80 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.518 38.3 164.2 -69.7 128.2 16.1 19.1 44.8 59 60 A V E + 0 0 59 -7,-3.0 2,-0.3 1,-0.3 -6,-0.2 0.472 58.0 14.6-123.9 -7.6 12.9 18.1 43.1 60 61 A A E -F 52 0D 21 -8,-1.4 -8,-2.8 16,-0.0 -1,-0.3 -0.987 53.5-171.2-163.9 159.1 14.0 16.6 39.7 61 62 A E E -F 51 0D 88 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.991 3.0-166.8-154.3 150.0 17.0 15.3 37.8 62 63 A A E -F 50 0D 25 -12,-2.3 -12,-2.3 -2,-0.3 3,-0.1 -0.996 11.1-163.8-141.3 140.2 17.9 14.2 34.3 63 64 A R - 0 0 195 -2,-0.3 -14,-0.2 -14,-0.2 -15,-0.1 -0.827 14.7-168.1-122.7 84.5 20.9 12.2 33.0 64 65 A P - 0 0 37 0, 0.0 -16,-0.1 0, 0.0 -1,-0.1 0.715 20.6-158.3 -46.4 -34.6 20.6 13.0 29.2 65 66 A G - 0 0 24 -17,-0.1 3,-0.1 -18,-0.1 -18,-0.1 -0.104 28.1 -44.2 77.2-179.3 23.1 10.4 28.1 66 67 A P S S+ 0 0 92 0, 0.0 -36,-0.0 0, 0.0 -37,-0.0 -0.250 106.1 42.6 -83.6 171.6 25.1 10.3 24.9 67 68 A S S S+ 0 0 111 1,-0.2 2,-0.2 -38,-0.1 -37,-0.1 0.963 78.2 150.8 57.1 60.8 24.2 10.9 21.2 68 69 A T - 0 0 35 -39,-0.3 2,-0.2 -3,-0.1 -1,-0.2 -0.681 43.5 -98.6-116.2 169.8 22.0 14.0 21.8 69 70 A S - 0 0 68 -2,-0.2 -40,-0.1 1,-0.1 -39,-0.1 -0.565 40.1 -92.5 -94.3 154.5 21.1 17.0 19.8 70 71 A A S S+ 0 0 32 1,-0.2 45,-0.3 -2,-0.2 -1,-0.1 -0.276 103.4 12.5 -63.2 144.3 22.5 20.5 19.8 71 72 A N S S- 0 0 20 -44,-3.3 -1,-0.2 43,-0.1 -45,-0.1 0.955 91.2-154.8 52.5 63.3 20.8 23.2 22.0 72 73 A P - 0 0 12 0, 0.0 -47,-2.3 0, 0.0 2,-0.4 -0.161 12.6-143.9 -68.1 157.0 18.7 20.7 24.0 73 74 A L E -B 24 0A 48 -49,-0.2 2,-0.4 2,-0.0 -49,-0.2 -0.984 11.9-163.8-121.8 129.7 15.4 21.4 25.8 74 75 A Y E -B 23 0A 25 -51,-2.8 -51,-2.9 -2,-0.4 2,-0.4 -0.967 7.0-163.9-116.1 131.8 14.6 19.6 29.1 75 76 A A E -B 22 0A 60 -2,-0.4 2,-0.4 -53,-0.2 -53,-0.2 -0.936 8.4-177.9-121.1 142.0 11.1 19.5 30.4 76 77 A F E -B 21 0A 25 -55,-2.4 -55,-3.1 -2,-0.4 2,-0.4 -1.000 18.0-139.2-137.5 135.4 9.8 18.6 33.8 77 78 A K E +B 20 0A 132 -2,-0.4 2,-0.3 -57,-0.2 -57,-0.2 -0.797 28.1 166.5 -98.9 137.0 6.2 18.5 35.1 78 79 A F E -B 19 0A 39 -59,-2.5 -59,-2.6 -2,-0.4 2,-0.5 -0.908 33.5-121.0-140.4 166.8 5.2 19.8 38.5 79 80 A K E -B 18 0A 116 -2,-0.3 2,-0.6 -61,-0.2 -61,-0.2 -0.942 31.3-121.4-112.3 131.5 2.0 20.7 40.4 80 81 A A + 0 0 0 -63,-3.0 -64,-4.1 -2,-0.5 -63,-0.1 -0.632 52.9 142.4 -76.2 116.4 1.7 24.3 41.6 81 82 A E + 0 0 127 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.674 66.4 3.9-118.5 -49.3 1.3 24.2 45.4 82 83 A K S S- 0 0 156 -67,-0.0 -1,-0.4 23,-0.0 22,-0.1 -0.983 78.6 -97.9-140.3 152.4 3.2 27.2 46.7 83 84 A A + 0 0 63 -2,-0.3 2,-0.3 -3,-0.1 22,-0.2 -0.321 60.9 122.9 -64.1 153.1 5.1 30.1 45.2 84 85 A G E - G 0 104D 11 20,-1.8 20,-3.7 2,-0.0 2,-0.4 -0.978 55.0 -80.8 173.1-178.6 8.9 29.8 45.0 85 86 A T E - G 0 103D 41 -2,-0.3 -30,-2.1 18,-0.2 2,-0.4 -0.920 26.6-147.4-115.9 134.2 12.0 29.9 42.7 86 87 A F E -EG 54 102D 5 16,-2.9 16,-1.9 -2,-0.4 2,-0.4 -0.797 13.7-171.7 -94.5 136.7 13.3 27.1 40.5 87 88 A T E -EG 53 101D 35 -34,-2.5 -34,-3.0 -2,-0.4 2,-0.5 -1.000 4.1-163.8-129.0 129.4 17.0 26.9 40.1 88 89 A I E -EG 52 100D 0 12,-3.1 12,-1.9 -2,-0.4 2,-0.5 -0.966 1.8-165.5-119.8 129.7 18.4 24.5 37.5 89 90 A K E -EG 51 99D 96 -38,-2.6 -38,-2.7 -2,-0.5 2,-0.3 -0.961 7.9-172.2-116.8 127.0 22.1 23.4 37.4 90 91 A L E -EG 50 98D 1 8,-3.0 8,-2.1 -2,-0.5 2,-0.3 -0.897 3.2-172.5-119.9 148.5 23.6 21.6 34.4 91 92 A K E -EG 49 97D 96 -42,-2.3 -43,-2.1 -2,-0.3 -42,-1.4 -0.979 6.5-154.7-137.7 148.5 26.9 20.0 33.9 92 93 A D E > -E 47 0D 6 4,-2.0 3,-1.8 -2,-0.3 -45,-0.3 -0.715 37.8 -95.9-118.2 172.5 28.7 18.5 30.9 93 94 A T T 3 S+ 0 0 54 -47,-2.2 -46,-0.1 1,-0.3 -48,-0.1 0.664 121.6 56.5 -61.5 -18.7 31.4 15.9 30.4 94 95 A D T 3 S- 0 0 103 -48,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.606 120.6-106.2 -86.0 -13.4 34.1 18.5 30.2 95 96 A G S < S+ 0 0 59 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.443 74.2 141.6 100.6 2.5 33.1 19.9 33.6 96 97 A D - 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