==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-JUN-09 3HVS . COMPND 2 MOLECULE: THIOL PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR A.HALL,P.A.KARPLUS . 334 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 18.6 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 0 0 0 2 0 1 1 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 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 PARALLEL BRIDGES PER LADDER . 8 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 117 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 175.4 -2.0 -27.4 11.2 2 3 A Q E -A 13 0A 29 11,-2.8 11,-2.9 116,-0.0 2,-0.4 -0.818 360.0-134.4-125.2 163.8 1.0 -25.2 10.2 3 4 A T E +A 12 0A 86 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.984 29.0 157.0-126.3 125.7 4.5 -24.6 11.7 4 5 A V E -A 11 0A 2 7,-2.5 7,-2.5 -2,-0.4 2,-0.3 -0.504 33.5-110.0-121.6-165.0 6.1 -21.2 12.1 5 6 A H E -Ab 10 151A 50 145,-1.8 147,-2.8 144,-0.3 2,-0.4 -0.981 12.2-160.4-136.8 147.0 8.9 -20.1 14.5 6 7 A F E > S-A 9 0A 46 3,-2.9 3,-2.2 -2,-0.3 145,-0.1 -0.981 90.9 -23.0-130.5 115.9 9.3 -17.9 17.5 7 8 A Q T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 144,-0.1 0.854 129.8 -52.9 40.8 45.3 13.0 -16.9 18.1 8 9 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 0, 0.0 143,-0.0 0.210 113.8 117.5 85.6 -12.2 13.8 -20.0 16.1 9 10 A N E < S-A 6 0A 100 -3,-2.2 -3,-2.9 1,-0.1 -1,-0.2 -0.698 72.7-104.4 -88.8 139.7 11.7 -22.5 18.1 10 11 A P E -A 5 0A 90 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.359 35.4-166.8 -71.7 143.7 8.8 -24.3 16.2 11 12 A V E -A 4 0A 10 -7,-2.5 -7,-2.5 -2,-0.1 2,-0.4 -0.999 16.0-132.0-133.4 127.9 5.3 -23.1 16.9 12 13 A T E -A 3 0A 42 -2,-0.4 110,-2.9 -9,-0.2 111,-0.8 -0.685 18.2-165.3 -81.9 133.7 2.1 -24.9 15.8 13 14 A V E -AC 2 121A 0 -11,-2.9 -11,-2.8 -2,-0.4 108,-0.2 -0.980 25.7-113.3-121.6 128.0 -0.6 -22.8 14.2 14 15 A A - 0 0 13 106,-2.9 106,-0.3 -2,-0.4 -11,-0.0 -0.125 67.0 -24.8 -67.1 148.3 -4.1 -24.2 13.9 15 16 A N S S- 0 0 89 1,-0.1 2,-0.4 104,-0.1 -2,-0.1 -0.168 97.9 -55.0 63.0-139.2 -5.8 -25.2 10.6 16 17 A S - 0 0 75 99,-0.3 103,-0.1 100,-0.1 -1,-0.1 -0.992 43.3-119.4-144.4 129.4 -4.7 -23.4 7.4 17 18 A I - 0 0 7 101,-0.4 101,-0.2 -2,-0.4 100,-0.1 -0.365 49.1 -94.5 -58.1 144.9 -4.4 -19.7 6.6 18 19 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.410 44.5-141.9 -67.0 138.7 -6.7 -18.9 3.6 19 20 A Q > - 0 0 104 1,-0.1 3,-2.5 -3,-0.1 124,-0.2 -0.582 34.6 -75.3 -94.8 162.8 -4.7 -19.0 0.3 20 21 A A T 3 S+ 0 0 69 1,-0.3 124,-0.2 -2,-0.2 -1,-0.1 -0.416 126.9 36.2 -56.8 132.3 -5.0 -16.7 -2.7 21 22 A G T 3 S+ 0 0 68 122,-2.7 -1,-0.3 1,-0.4 123,-0.1 0.132 91.4 122.2 100.0 -17.3 -8.2 -18.0 -4.3 22 23 A S < - 0 0 39 -3,-2.5 121,-3.1 121,-0.1 2,-0.5 -0.328 67.9-111.2 -72.3 156.1 -10.0 -18.7 -1.0 23 24 A K B -D 142 0B 133 119,-0.2 2,-0.6 -3,-0.1 119,-0.2 -0.823 32.8-120.5 -86.0 123.7 -13.3 -17.2 -0.0 24 25 A A - 0 0 5 117,-2.7 2,-0.1 -2,-0.5 93,-0.0 -0.562 26.3-135.6 -66.2 119.1 -13.0 -14.8 2.9 25 26 A Q - 0 0 106 -2,-0.6 -1,-0.0 91,-0.1 14,-0.0 -0.456 22.6-107.5 -69.2 139.8 -15.1 -15.9 5.8 26 27 A T + 0 0 107 -2,-0.1 2,-0.3 13,-0.1 -1,-0.1 -0.257 44.8 178.8 -60.1 155.0 -17.3 -13.4 7.6 27 28 A F - 0 0 10 2,-0.0 12,-1.6 89,-0.0 2,-0.4 -0.965 24.3-142.6-151.4 164.4 -16.0 -12.4 11.1 28 29 A T E +E 38 0C 41 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.992 25.0 168.2-129.9 132.3 -16.8 -10.1 14.0 29 30 A L E -E 37 0C 0 8,-2.5 8,-3.2 -2,-0.4 2,-0.5 -0.831 32.6-103.2-132.5 178.8 -14.2 -8.4 16.1 30 31 A V E -EF 36 106C 0 76,-2.2 76,-2.9 -2,-0.3 6,-0.2 -0.908 26.0-148.4-119.5 129.5 -14.2 -5.6 18.7 31 32 A A > - 0 0 12 4,-2.6 3,-2.6 -2,-0.5 74,-0.1 -0.267 39.1 -87.9 -84.1 171.9 -13.2 -2.0 18.3 32 33 A K T 3 S+ 0 0 171 72,-0.5 59,-0.1 1,-0.3 73,-0.1 0.725 127.4 51.5 -54.7 -25.2 -11.6 0.5 20.7 33 34 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 54,-0.0 3,-0.1 0.248 120.3-106.7 -99.8 16.1 -15.1 1.6 22.0 34 35 A L S < S+ 0 0 24 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.549 76.0 138.0 72.9 9.2 -16.1 -2.1 22.7 35 36 A S - 0 0 50 1,-0.1 -4,-2.6 -4,-0.0 2,-0.3 -0.566 58.8-107.7 -80.5 152.1 -18.5 -2.1 19.8 36 37 A D E -E 30 0C 88 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.619 31.9-167.4 -79.1 133.3 -18.7 -5.1 17.4 37 38 A V E -E 29 0C 14 -8,-3.2 -8,-2.5 -2,-0.3 2,-0.3 -0.983 5.1-163.3-123.2 132.3 -17.2 -4.6 13.8 38 39 A T E > -E 28 0C 40 -2,-0.4 3,-1.0 -10,-0.2 4,-0.3 -0.808 32.9-117.7-115.5 159.9 -17.9 -7.1 11.0 39 40 A L G > S+ 0 0 2 -12,-1.6 3,-2.1 -2,-0.3 -1,-0.1 0.890 112.9 65.1 -56.2 -39.6 -16.3 -7.9 7.7 40 41 A G G > S+ 0 0 45 -13,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.755 86.0 70.8 -62.5 -22.7 -19.6 -6.8 6.0 41 42 A Q G < S+ 0 0 116 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.690 96.3 53.0 -65.5 -17.4 -19.2 -3.3 7.2 42 43 A F G X S+ 0 0 20 -3,-2.1 3,-2.3 -4,-0.3 -1,-0.3 0.168 79.7 154.9-102.0 22.6 -16.3 -2.8 4.8 43 44 A A T < + 0 0 80 -3,-1.8 3,-0.1 1,-0.3 96,-0.1 -0.099 65.9 21.4 -50.6 136.6 -18.4 -4.0 1.8 44 45 A G T 3 S+ 0 0 43 95,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.295 107.3 94.3 91.1 -13.2 -17.0 -2.6 -1.5 45 46 A K S < S- 0 0 68 -3,-2.3 2,-0.4 93,-0.2 -1,-0.4 -0.618 78.3-113.8-101.7 167.2 -13.6 -1.9 -0.2 46 47 A R E -g 77 0C 22 30,-2.5 32,-2.2 -2,-0.2 2,-0.4 -0.839 36.3-155.0 -92.9 140.5 -10.4 -4.0 -0.2 47 48 A K E -gH 78 137C 0 90,-2.5 90,-3.1 -2,-0.4 2,-0.6 -0.964 11.7-158.1-121.6 133.8 -9.4 -5.0 3.3 48 49 A V E -gH 79 136C 0 30,-2.6 32,-3.4 -2,-0.4 2,-0.7 -0.945 9.0-154.1-109.1 123.7 -5.9 -5.9 4.7 49 50 A L E -gH 80 135C 0 86,-3.2 86,-2.1 -2,-0.6 2,-0.7 -0.883 10.1-169.8 -94.9 116.6 -5.9 -8.0 7.8 50 51 A N E -gH 81 134C 0 30,-3.3 32,-2.6 -2,-0.7 2,-0.4 -0.931 13.1-164.6-113.5 100.2 -2.6 -7.2 9.5 51 52 A I E -gH 82 133C 0 82,-2.9 82,-2.0 -2,-0.7 32,-0.2 -0.804 9.8-179.4-107.3 126.0 -2.5 -9.8 12.3 52 53 A F - 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