==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/BIOSYNTHETIC PROTEIN 21-MAR-05 1Z5Y . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.U.STIRNIMANN,A.ROZHKOVA,U.GRAUSCHOPF,M.G.GRUETTER, . 254 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 28.7 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 1 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 0 3 1 1 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 . 1 1 1 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 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 8 D R 0 0 203 0, 0.0 2,-0.1 0, 0.0 229,-0.0 0.000 360.0 360.0 360.0 -9.4 18.2 -0.1 30.5 2 9 D S - 0 0 64 1,-0.1 230,-0.1 2,-0.1 228,-0.0 -0.388 360.0-159.5 -68.5 138.1 18.3 0.4 26.8 3 10 D Q S S+ 0 0 127 228,-0.3 2,-0.7 -2,-0.1 -1,-0.1 0.389 75.1 83.4 -93.5 0.4 17.2 3.7 25.3 4 11 D F S S- 0 0 6 227,-0.1 3,-0.1 96,-0.1 -2,-0.1 -0.910 73.7-148.1-112.1 109.5 16.6 2.1 21.9 5 12 D V - 0 0 27 -2,-0.7 5,-0.1 1,-0.2 -2,-0.1 -0.193 33.2 -73.7 -72.5 162.9 13.2 0.5 21.6 6 13 D P >> - 0 0 68 0, 0.0 4,-1.8 0, 0.0 3,-1.7 -0.190 48.0-111.1 -54.2 148.3 12.3 -2.6 19.6 7 14 D A H 3> S+ 0 0 26 1,-0.3 4,-2.5 2,-0.2 3,-0.2 0.891 115.6 54.5 -50.1 -49.1 12.1 -2.0 15.8 8 15 D D H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.621 108.8 49.3 -64.3 -14.1 8.3 -2.4 15.6 9 16 D Q H <4 S+ 0 0 124 -3,-1.7 3,-0.4 3,-0.1 -1,-0.2 0.791 113.3 44.5 -91.2 -34.9 7.8 0.2 18.3 10 17 D A H < S+ 0 0 0 -4,-1.8 19,-2.4 1,-0.3 2,-0.4 0.853 128.3 28.7 -76.4 -33.8 10.1 2.8 16.7 11 18 D F E < S-A 28 0A 3 -4,-2.5 2,-0.8 -5,-0.2 -1,-0.3 -0.816 79.0-169.9-128.3 87.4 8.6 2.1 13.2 12 19 D A E -A 27 0A 33 15,-2.6 15,-2.4 -2,-0.4 2,-0.3 -0.730 12.9-158.6 -86.0 111.4 5.0 1.0 13.7 13 20 D F E +A 26 0A 37 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.633 20.4 156.5 -94.2 142.8 3.8 -0.3 10.3 14 21 D D E -A 25 0A 105 11,-2.6 11,-2.9 -2,-0.3 2,-0.3 -0.943 16.3-162.1-152.8 169.9 0.2 -0.6 9.1 15 22 D F E -A 24 0A 74 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.979 5.4-166.2-153.0 161.5 -1.8 -0.7 5.8 16 23 D Q E -A 23 0A 148 7,-1.5 7,-2.5 -2,-0.3 2,-0.3 -0.945 8.9-165.1-153.5 128.8 -5.3 -0.3 4.5 17 24 D Q E +A 22 0A 35 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.891 13.0 179.8-118.1 149.5 -6.6 -1.3 1.1 18 25 D N E > -A 21 0A 112 3,-2.7 3,-2.1 -2,-0.3 2,-0.3 -0.765 65.3 -72.0-145.6 90.4 -9.8 -0.3 -0.6 19 26 D Q T 3 S+ 0 0 115 1,-0.3 -1,-0.2 -2,-0.3 94,-0.1 -0.359 121.0 3.3 59.4-116.6 -9.9 -1.9 -4.0 20 27 D H T 3 S+ 0 0 59 -2,-0.3 60,-3.3 -3,-0.1 2,-0.5 0.639 121.0 80.5 -76.9 -12.6 -7.4 -0.2 -6.3 21 28 D D E < +AB 18 79A 98 -3,-2.1 -3,-2.7 58,-0.2 2,-0.4 -0.851 54.2 175.4-104.7 126.2 -6.1 2.1 -3.5 22 29 D L E -AB 17 78A 1 56,-2.6 56,-3.0 -2,-0.5 2,-0.5 -0.973 11.6-161.7-125.9 138.3 -3.7 1.0 -0.9 23 30 D N E -AB 16 77A 67 -7,-2.5 -7,-1.5 -2,-0.4 2,-0.4 -0.979 2.7-161.7-123.4 126.0 -2.1 3.1 1.8 24 31 D L E -AB 15 76A 0 52,-2.6 52,-3.0 -2,-0.5 2,-0.3 -0.882 17.3-174.0-104.3 136.9 1.1 2.0 3.6 25 32 D T E -AB 14 75A 24 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.4 -0.973 18.8-172.8-137.3 147.1 1.8 3.8 6.8 26 33 D W E -AB 13 74A 0 48,-1.8 48,-2.0 -2,-0.3 2,-0.7 -0.992 15.7-150.0-136.0 129.8 4.6 4.0 9.4 27 34 D Q E -AB 12 73A 117 -15,-2.4 -15,-2.6 -2,-0.4 2,-0.6 -0.911 23.0-154.5 -97.2 116.7 4.3 5.8 12.8 28 35 D I E -A 11 0A 7 44,-1.7 44,-0.4 -2,-0.7 -17,-0.2 -0.869 12.5-125.7-103.3 113.1 7.9 6.9 13.4 29 36 D K > - 0 0 101 -19,-2.4 3,-1.8 -2,-0.6 43,-0.2 -0.154 37.3 -92.2 -55.5 142.2 8.8 7.5 17.1 30 37 D D T 3 S+ 0 0 141 1,-0.3 -1,-0.1 41,-0.1 3,-0.1 -0.383 115.7 30.7 -58.9 129.2 10.3 10.8 18.0 31 38 D G T 3 S+ 0 0 22 1,-0.4 67,-2.9 -3,-0.1 68,-0.4 0.458 107.2 86.5 98.8 4.0 14.1 10.6 17.8 32 39 D Y E < -C 97 0B 14 -3,-1.8 -1,-0.4 65,-0.2 40,-0.4 -0.883 53.1-172.4-130.6 162.6 14.1 7.9 15.0 33 40 D Y E -C 96 0B 8 63,-2.2 63,-1.9 -2,-0.3 2,-0.3 -0.992 19.4-127.8-154.8 157.3 13.9 8.0 11.2 34 41 D L E -CD 95 70B 0 36,-1.9 36,-2.1 -2,-0.3 2,-0.6 -0.806 27.3-121.3-106.4 148.5 13.6 5.9 8.1 35 42 D Y E > - D 0 69B 19 59,-2.9 3,-1.4 -2,-0.3 59,-0.4 -0.819 12.9-151.3 -89.3 119.2 16.0 6.1 5.2 36 43 D R G > S+ 0 0 41 32,-2.5 3,-1.5 -2,-0.6 -1,-0.2 0.918 95.8 56.7 -57.0 -43.0 14.1 7.0 2.0 37 44 D K G 3 S+ 0 0 150 31,-0.5 -1,-0.3 1,-0.2 32,-0.1 0.649 99.5 59.6 -63.4 -17.0 16.7 5.1 -0.1 38 45 D Q G < S+ 0 0 76 -3,-1.4 2,-0.4 56,-0.2 -1,-0.2 0.420 76.7 108.5 -95.2 3.8 16.1 1.8 1.8 39 46 D I < + 0 0 19 -3,-1.5 2,-0.4 -4,-0.3 54,-0.2 -0.662 42.4 175.1 -81.8 129.1 12.4 1.5 1.0 40 47 D R E -H 92 0C 177 52,-2.5 52,-3.0 -2,-0.4 2,-0.5 -0.998 10.5-169.2-136.9 131.7 11.7 -1.4 -1.5 41 48 D I E +H 91 0C 31 -2,-0.4 50,-0.2 50,-0.2 10,-0.1 -0.977 8.1 178.5-125.7 121.8 8.2 -2.4 -2.5 42 49 D T E -H 90 0C 56 48,-3.0 48,-3.7 -2,-0.5 2,-0.2 -0.976 16.4-145.7-129.6 125.8 7.6 -5.6 -4.5 43 50 D P E -H 89 0C 42 0, 0.0 2,-0.5 0, 0.0 46,-0.2 -0.595 4.8-158.9 -87.4 150.8 4.4 -7.1 -5.7 44 51 D E E S-H 88 0C 51 44,-2.6 44,-2.0 -2,-0.2 3,-0.1 -0.982 81.6 -10.2-127.9 115.2 3.8 -10.9 -5.9 45 52 D H E S+ 0 0 142 -2,-0.5 39,-2.6 1,-0.2 2,-0.3 0.841 120.9 91.6 63.9 35.1 0.9 -11.9 -8.3 46 53 D A E -H 83 0C 15 37,-0.2 2,-0.5 42,-0.1 37,-0.3 -0.980 67.4-136.4-154.6 156.7 -0.2 -8.2 -8.6 47 54 D K E -H 82 0C 140 35,-2.9 34,-1.9 -2,-0.3 35,-1.9 -0.984 27.0-179.4-122.8 120.5 0.5 -5.3 -10.8 48 55 D I E -H 80 0C 35 -2,-0.5 32,-0.2 32,-0.2 3,-0.1 -0.843 29.8-107.2-120.2 158.0 1.1 -1.9 -9.2 49 56 D A - 0 0 36 30,-1.9 30,-0.2 -2,-0.3 2,-0.1 -0.391 55.8 -80.8 -74.7 157.2 1.7 1.6 -10.5 50 57 D D - 0 0 168 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.393 52.9-125.8 -59.9 133.4 5.3 3.0 -10.1 51 58 D V - 0 0 44 -10,-0.1 2,-0.6 -3,-0.1 27,-0.1 -0.706 14.3-149.7 -89.4 130.0 5.4 4.3 -6.5 52 59 D Q - 0 0 149 -2,-0.4 -1,-0.0 25,-0.3 -2,-0.0 -0.872 12.7-144.4 -95.2 119.7 6.5 7.9 -5.9 53 60 D L - 0 0 38 -2,-0.6 23,-0.1 1,-0.1 3,-0.1 -0.665 26.1-115.7 -81.5 142.0 8.3 8.2 -2.6 54 61 D P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.234 32.0 -88.7 -75.3 166.8 7.5 11.6 -1.0 55 62 D Q - 0 0 147 1,-0.1 2,-0.1 15,-0.0 14,-0.0 -0.628 53.4-177.9 -75.6 120.8 10.0 14.4 -0.2 56 63 D G - 0 0 17 -2,-0.5 14,-0.2 1,-0.2 2,-0.1 -0.176 26.7 -89.0-103.3-160.5 11.5 13.9 3.2 57 64 D V E -E 69 0B 74 12,-2.4 12,-2.5 -2,-0.1 2,-0.4 -0.402 43.3-100.7-102.8-174.6 13.9 15.9 5.3 58 65 D W E -E 68 0B 142 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.860 27.2-174.5-118.4 148.2 17.7 15.6 5.4 59 66 D H E -E 67 0B 33 8,-2.2 8,-2.9 -2,-0.4 2,-0.4 -0.994 10.8-150.6-135.8 143.2 20.3 14.0 7.7 60 67 D E E -E 66 0B 128 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.939 4.5-164.8-120.1 135.2 24.1 14.1 7.7 61 68 D D E >> -E 65 0B 28 4,-2.7 3,-2.2 -2,-0.4 4,-2.2 -0.886 30.3-126.6-118.8 96.6 26.5 11.4 8.9 62 69 D E T 34 S+ 0 0 197 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.513 104.4 18.2 -2.7 -65.0 30.0 12.9 9.4 63 70 D F T 34 S+ 0 0 137 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.691 126.3 52.9 -95.4 -20.6 31.8 10.3 7.2 64 71 D Y T <4 S- 0 0 83 -3,-2.2 2,-0.2 1,-0.3 -2,-0.2 0.757 97.1-136.2 -88.1 -25.3 28.8 8.9 5.2 65 72 D G E < - E 0 61B 25 -4,-2.2 -4,-2.7 2,-0.0 2,-0.4 -0.653 40.3 -28.3 105.9-165.2 27.3 12.1 3.9 66 73 D K E - E 0 60B 133 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.747 53.8-176.6 -96.5 140.1 23.8 13.4 3.6 67 74 D S E - E 0 59B 8 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.5 -0.985 29.6-116.3-135.7 146.6 20.7 11.1 3.2 68 75 D E E + E 0 58B 30 -2,-0.3 -32,-2.5 -10,-0.2 -31,-0.5 -0.711 44.8 176.9 -85.1 124.5 17.0 11.8 2.7 69 76 D I E -DE 35 57B 0 -12,-2.5 -12,-2.4 -2,-0.5 2,-0.4 -0.783 25.4-131.8-125.8 168.3 15.1 10.6 5.7 70 77 D Y E -D 34 0B 9 -36,-2.1 -36,-1.9 -2,-0.2 2,-0.3 -0.981 21.7-177.0-124.6 134.4 11.5 10.5 7.1 71 78 D R + 0 0 81 -2,-0.4 2,-2.9 2,-0.2 -38,-0.1 -0.785 58.5 11.4-124.3 167.5 10.4 11.4 10.6 72 79 D D S S- 0 0 114 -44,-0.4 -44,-1.7 -40,-0.4 2,-0.3 -0.256 124.4 -13.0 69.0 -59.7 7.1 11.4 12.5 73 80 D R E -B 27 0A 130 -2,-2.9 2,-0.4 -46,-0.3 -2,-0.2 -0.941 55.5-147.8-168.9 150.2 5.1 9.4 10.1 74 81 D L E -B 26 0A 6 -48,-2.0 -48,-1.8 -2,-0.3 2,-0.5 -1.000 11.0-168.7-128.3 127.8 5.4 8.2 6.5 75 82 D T E -B 25 0A 69 -2,-0.4 -50,-0.2 -50,-0.2 -2,-0.0 -0.980 7.6-178.8-119.2 123.5 2.3 7.8 4.3 76 83 D L E -B 24 0A 0 -52,-3.0 -52,-2.6 -2,-0.5 2,-0.2 -0.914 11.7-155.7-130.0 105.7 2.8 6.0 1.0 77 84 D P E -B 23 0A 79 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.534 10.9-169.9 -79.0 147.9 -0.1 5.5 -1.4 78 85 D V E -B 22 0A 3 -56,-3.0 -56,-2.6 -2,-0.2 2,-0.6 -0.998 15.8-138.9-136.1 137.9 0.1 2.6 -3.9 79 86 D T E -B 21 0A 58 -2,-0.4 -30,-1.9 -30,-0.2 2,-0.9 -0.881 9.4-154.9-102.6 122.6 -2.1 1.9 -6.8 80 87 D I E +H 48 0C 0 -60,-3.3 -32,-0.2 -2,-0.6 3,-0.1 -0.838 15.5 176.6 -96.0 101.0 -3.1 -1.7 -7.3 81 88 D N E S- 0 0 78 -34,-1.9 37,-0.4 -2,-0.9 2,-0.3 0.899 73.4 -8.4 -71.8 -40.6 -4.0 -2.0 -11.0 82 89 D Q E +H 47 0C 50 -35,-1.9 -35,-2.9 -3,-0.2 -1,-0.3 -0.988 60.2 179.5-155.0 150.8 -4.6 -5.7 -10.5 83 90 D A E -HI 46 115C 0 32,-2.5 32,-2.7 -2,-0.3 -37,-0.2 -0.913 17.7-144.8-154.6 122.7 -4.1 -8.4 -7.8 84 91 D S E > - 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