==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-10 2XPD . COMPND 2 MOLECULE: THIOL PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR M.GABRIELSEN,C.E.ZETTERSTROM,D.WANG,M.ELOFSSON,A.J.ROE . 1002 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 19.5 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 . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 2 0.2 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 . 95 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 4 2 5 2 0 0 3 2 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 6 0 5 1 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 . 19 5 6 0 14 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 3 0 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 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 T 0 0 147 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 166.3 6.2 4.5 8.1 2 3 A Q E -A 13 0A 16 11,-1.6 11,-2.9 14,-0.0 2,-0.4 -0.933 360.0-138.1-132.6 158.3 5.1 6.2 11.4 3 4 A T E +A 12 0A 82 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.974 26.2 161.1-120.1 132.0 7.0 8.3 13.9 4 5 A V E -A 11 0A 1 7,-2.7 7,-2.1 -2,-0.4 2,-0.3 -0.597 31.3-115.3-122.4-162.9 6.8 8.0 17.7 5 6 A H E -Ab 10 151A 50 145,-2.1 147,-3.5 144,-0.3 2,-0.4 -0.969 12.7-157.7-138.6 155.4 9.3 9.3 20.2 6 7 A F E > S-A 9 0A 77 3,-1.9 3,-2.1 -2,-0.3 145,-0.1 -0.972 93.3 -22.2-129.7 116.4 11.7 8.1 22.9 7 8 A Q T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 144,-0.1 0.923 130.7 -50.6 41.8 48.3 12.5 10.9 25.4 8 9 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 0, 0.0 143,-0.0 0.190 112.5 122.3 84.8 -18.7 11.4 13.3 22.7 9 10 A N E < -A 6 0A 118 -3,-2.1 -3,-1.9 1,-0.1 -1,-0.2 -0.696 68.4-111.4 -81.8 125.0 13.6 11.8 20.0 10 11 A P E -A 5 0A 97 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.173 33.3-173.6 -57.7 141.9 11.8 10.6 16.8 11 12 A V E -A 4 0A 21 -7,-2.1 -7,-2.7 113,-0.0 2,-0.4 -0.994 18.3-134.4-133.3 123.9 11.8 6.9 16.3 12 13 A S E -A 3 0A 41 -2,-0.4 110,-2.1 -9,-0.2 2,-0.5 -0.709 16.0-166.0 -89.6 141.4 10.4 5.4 13.1 13 14 A V E -AC 2 121A 0 -11,-2.9 -11,-1.6 -2,-0.4 108,-0.2 -0.984 18.2-130.9-126.7 120.6 8.1 2.5 13.2 14 15 A A E + C 0 120A 20 106,-2.2 106,-0.8 -2,-0.5 2,-0.2 -0.276 66.4 14.6 -73.1 151.9 7.4 0.6 10.0 15 16 A G S S- 0 0 35 103,-0.1 2,-0.3 104,-0.1 101,-0.1 -0.511 89.7 -76.9 93.3-162.2 3.9 -0.3 8.9 16 17 A K - 0 0 123 99,-0.5 103,-0.1 -2,-0.2 102,-0.1 -0.941 36.0-118.9-147.0 126.7 0.7 1.1 10.2 17 18 A L - 0 0 3 101,-0.4 101,-0.2 -2,-0.3 100,-0.1 -0.431 44.7-103.0 -60.3 129.8 -1.0 0.2 13.4 18 19 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.211 40.3-143.8 -57.9 147.0 -4.4 -1.3 12.5 19 20 A Q > - 0 0 57 1,-0.1 3,-2.6 -3,-0.1 124,-0.3 -0.745 31.7 -71.0-113.6 161.8 -7.3 1.1 13.1 20 21 A I T 3 S+ 0 0 119 -2,-0.3 124,-0.2 1,-0.3 -1,-0.1 -0.254 122.2 28.4 -50.2 133.2 -10.8 0.6 14.3 21 22 A G T 3 S+ 0 0 59 122,-2.0 -1,-0.3 1,-0.4 123,-0.1 -0.120 94.7 118.6 103.6 -31.0 -12.9 -1.2 11.7 22 23 A D < - 0 0 75 -3,-2.6 121,-2.5 120,-0.1 2,-0.7 -0.259 68.7-120.6 -67.0 148.2 -9.8 -3.1 10.2 23 24 A K B -E 142 0B 137 119,-0.2 119,-0.2 -3,-0.1 2,-0.1 -0.843 34.3-132.6 -85.5 117.6 -9.6 -6.8 10.1 24 25 A A - 0 0 6 117,-2.7 2,-0.1 -2,-0.7 93,-0.1 -0.394 25.6-102.3 -73.2 146.2 -6.4 -7.6 12.1 25 26 A K - 0 0 96 91,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.403 30.7-110.6 -75.1 142.2 -3.9 -10.0 10.5 26 27 A D - 0 0 40 -2,-0.1 2,-0.2 13,-0.1 -1,-0.1 -0.588 45.3-171.2 -71.0 107.8 -3.7 -13.7 11.8 27 28 A F - 0 0 4 -2,-0.8 12,-2.1 86,-0.0 2,-0.4 -0.537 20.6-149.4 -96.3 163.0 -0.4 -14.0 13.5 28 29 A T E +F 38 0C 20 82,-0.2 10,-0.3 10,-0.2 2,-0.2 -0.984 26.1 170.7-127.8 128.7 1.6 -16.9 14.9 29 30 A L E -F 37 0C 0 8,-2.9 8,-3.8 -2,-0.4 2,-0.6 -0.739 36.3 -95.3-130.1 171.3 3.8 -16.2 17.9 30 31 A V E -FG 36 106C 0 76,-2.4 76,-2.3 79,-0.4 6,-0.2 -0.821 34.9-155.7 -98.7 121.1 5.9 -18.2 20.4 31 32 A A > - 0 0 10 4,-2.7 3,-2.4 -2,-0.6 74,-0.1 -0.253 38.7 -88.4 -85.7 173.6 4.3 -19.1 23.8 32 33 A K T 3 S+ 0 0 138 72,-0.5 59,-0.1 1,-0.3 -1,-0.1 0.733 126.9 52.3 -56.9 -26.9 6.2 -20.0 27.0 33 34 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 54,-0.0 3,-0.1 0.243 119.0-108.5 -94.2 8.8 6.4 -23.7 26.2 34 35 A L S < S+ 0 0 20 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.458 76.7 134.7 75.9 3.4 8.0 -22.9 22.7 35 36 A S - 0 0 50 1,-0.1 -4,-2.7 -5,-0.0 2,-0.5 -0.500 62.1-110.6 -75.9 156.2 4.8 -24.0 20.9 36 37 A D E -F 30 0C 82 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.782 31.8-160.3 -96.8 121.7 3.6 -21.7 18.1 37 38 A V E -F 29 0C 26 -8,-3.8 -8,-2.9 -2,-0.5 2,-0.2 -0.938 1.5-153.6-115.5 119.8 0.3 -20.0 19.0 38 39 A A E > -F 28 0C 22 -2,-0.5 3,-1.7 -10,-0.3 4,-0.4 -0.559 23.7-126.7 -87.8 147.5 -2.0 -18.5 16.3 39 40 A L G > S+ 0 0 0 -12,-2.1 3,-2.0 1,-0.3 -1,-0.1 0.889 110.6 66.0 -61.1 -34.0 -4.4 -15.6 16.8 40 41 A S G > S+ 0 0 61 -13,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.693 83.7 73.1 -58.5 -23.7 -7.1 -17.9 15.4 41 42 A S G < S+ 0 0 76 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.731 94.5 54.8 -61.8 -24.2 -6.7 -20.1 18.5 42 43 A F G X S+ 0 0 22 -3,-2.0 3,-1.8 -4,-0.4 -1,-0.3 0.119 78.3 152.7 -95.6 14.9 -8.5 -17.3 20.4 43 44 A A T < + 0 0 73 -3,-1.6 97,-0.2 1,-0.2 96,-0.1 -0.127 65.4 22.2 -44.8 136.2 -11.6 -17.3 18.1 44 45 A G T 3 S+ 0 0 38 95,-3.0 2,-0.3 1,-0.2 -1,-0.2 0.414 106.7 95.3 78.1 1.3 -14.7 -16.1 19.9 45 46 A K S < S- 0 0 88 -3,-1.8 96,-0.2 94,-0.5 -1,-0.2 -0.895 77.0-119.9-115.2 144.9 -12.8 -14.2 22.6 46 47 A R E -h 77 0C 51 30,-3.0 32,-2.3 -2,-0.3 2,-0.4 -0.528 32.2-151.3 -75.6 154.9 -11.9 -10.6 22.7 47 48 A K E -hI 78 137C 0 90,-2.1 90,-2.7 30,-0.2 2,-0.6 -0.995 13.4-156.4-132.0 137.4 -8.1 -10.0 22.8 48 49 A V E -hI 79 136C 0 30,-2.5 32,-3.2 -2,-0.4 2,-0.8 -0.969 13.7-156.5-110.2 116.6 -6.1 -7.2 24.3 49 50 A L E -hI 80 135C 0 86,-3.3 86,-1.6 -2,-0.6 2,-0.9 -0.862 6.1-168.9 -93.0 106.2 -2.7 -7.0 22.6 50 51 A N E -hI 81 134C 0 30,-3.2 32,-3.2 -2,-0.8 2,-0.5 -0.859 13.2-173.3 -93.7 102.0 -0.2 -5.3 25.0 51 52 A I E +hI 82 133C 0 82,-3.0 82,-3.2 -2,-0.9 32,-0.2 -0.882 12.5 155.1-106.3 125.8 2.8 -4.7 22.7 52 53 A F - 0 0 0 30,-2.0 32,-0.4 -2,-0.5 78,-0.4 -0.965 50.8-107.4-144.3 162.3 6.0 -3.3 24.2 53 54 A P S S- 0 0 9 0, 0.0 31,-0.5 0, 0.0 77,-0.3 0.872 92.4 -24.7 -53.3 -54.2 9.8 -3.1 23.6 54 55 A S > - 0 0 0 29,-0.1 3,-1.5 3,-0.1 6,-0.3 -0.792 42.4-136.2-166.6 139.0 10.9 -5.5 26.4 55 56 A I T 3 S+ 0 0 1 1,-0.3 6,-0.1 -2,-0.2 9,-0.1 0.631 102.4 69.3 -66.4 -16.2 9.5 -6.8 29.7 56 57 A D T 3 S+ 0 0 24 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.208 87.8 79.1 -91.3 8.3 13.0 -6.3 31.3 57 58 A T S <> S- 0 0 38 -3,-1.5 4,-2.3 1,-0.1 5,-0.2 -0.902 88.9-115.7-111.8 156.9 12.6 -2.5 31.1 58 59 A G H > S+ 0 0 45 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.827 106.4 45.3 -66.2 -43.7 10.5 -0.5 33.6 59 60 A V H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 115.1 48.8 -69.0 -40.1 7.6 1.0 31.6 60 61 A C H > S+ 0 0 0 -6,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.943 111.8 50.1 -62.2 -45.9 6.9 -2.3 29.8 61 62 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 -7,-0.3 -1,-0.2 0.850 107.0 54.3 -59.8 -44.4 6.9 -4.1 33.1 62 63 A A H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 108.7 49.3 -58.6 -35.9 4.5 -1.7 34.7 63 64 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.843 109.3 51.1 -77.9 -26.7 2.0 -2.2 31.8 64 65 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.923 112.2 46.5 -77.0 -41.2 2.2 -6.0 32.1 65 66 A R H X S+ 0 0 32 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 115.0 47.4 -66.5 -37.2 1.5 -5.9 35.8 66 67 A K H X S+ 0 0 72 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.913 112.4 47.1 -65.1 -46.4 -1.4 -3.4 35.3 67 68 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.864 111.2 54.9 -65.1 -33.5 -3.0 -5.3 32.5 68 69 A N H X S+ 0 0 14 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.837 109.1 44.3 -67.4 -41.6 -2.6 -8.4 34.6 69 70 A Q H >< S+ 0 0 73 -4,-1.8 3,-0.8 1,-0.2 4,-0.3 0.925 119.3 45.5 -66.2 -42.1 -4.4 -6.9 37.6 70 71 A L H >< S+ 0 0 44 -4,-2.8 3,-1.4 1,-0.2 4,-0.2 0.794 98.8 70.3 -70.4 -26.9 -7.1 -5.6 35.1 71 72 A A H >< S+ 0 0 17 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.759 86.1 68.9 -62.1 -29.6 -7.4 -8.8 33.1 72 73 A G T << S+ 0 0 57 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 0.679 101.7 43.2 -68.0 -23.3 -9.1 -10.5 36.1 73 74 A E T < S+ 0 0 165 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.352 90.5 113.2 -96.0 -2.0 -12.3 -8.5 35.8 74 75 A L < - 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