==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-MAR-02 1L6P . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.W.GOULDING,M.R.SAWAYA,A.PARSEGHIAN . 121 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 66.9 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 . 53 43.8 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 . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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-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 . 18 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 3.3 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 1 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 . 1 2 1 0 1 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 . 0 1 1 1 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 4 A D 0 0 178 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 105.0 -5.2 -11.1 29.9 2 5 A A - 0 0 76 1,-0.1 3,-0.1 2,-0.1 0, 0.0 0.010 360.0 -62.1 -45.5 157.7 -7.5 -8.5 31.5 3 6 A P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.134 119.2 8.9 -59.1 146.5 -9.4 -6.3 29.0 4 7 A G S S+ 0 0 50 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.951 85.5 126.1 45.3 75.0 -7.5 -4.1 26.6 5 8 A R S S+ 0 0 53 -4,-0.2 3,-0.3 -3,-0.1 -3,-0.1 0.443 71.7 47.7-127.2 -22.9 -4.1 -5.6 27.5 6 9 A S S S+ 0 0 85 1,-0.1 -2,-0.0 -5,-0.1 0, 0.0 0.144 83.1 99.6-100.7 12.4 -3.0 -6.5 23.9 7 10 A Q + 0 0 54 1,-0.2 2,-2.2 96,-0.0 -1,-0.1 0.643 54.6 91.2 -79.8 -13.8 -4.0 -3.0 22.5 8 11 A F + 0 0 152 -3,-0.3 -1,-0.2 95,-0.1 3,-0.1 -0.435 58.0 156.0 -82.5 72.1 -0.5 -1.7 22.5 9 12 A V - 0 0 25 -2,-2.2 5,-0.1 1,-0.2 -2,-0.0 -0.517 56.4 -69.9 -86.7 163.9 0.4 -2.7 19.0 10 13 A P >> - 0 0 76 0, 0.0 3,-1.8 0, 0.0 4,-1.6 -0.183 47.7-118.9 -48.1 139.9 3.1 -1.1 16.9 11 14 A A H 3> S+ 0 0 24 1,-0.3 4,-2.7 2,-0.2 -2,-0.1 0.853 113.0 59.2 -56.3 -33.2 2.0 2.4 15.9 12 15 A D H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.671 104.9 51.7 -74.5 -12.6 2.2 1.5 12.2 13 16 A Q H <4 S+ 0 0 118 -3,-1.8 3,-0.3 3,-0.1 -1,-0.2 0.811 112.1 43.9 -83.8 -37.9 -0.4 -1.2 12.8 14 17 A A H < S+ 0 0 0 -4,-1.6 19,-2.6 1,-0.3 2,-0.5 0.897 131.0 24.6 -67.7 -41.1 -2.8 1.2 14.6 15 18 A F E < S-A 32 0A 0 -4,-2.7 2,-0.8 17,-0.2 -1,-0.3 -0.847 77.0-164.2-129.8 89.8 -2.3 3.9 11.9 16 19 A A E -A 31 0A 36 15,-2.4 15,-2.9 -2,-0.5 2,-0.4 -0.729 14.9-161.0 -83.8 108.5 -1.2 2.4 8.6 17 20 A F E +A 30 0A 31 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.742 20.4 153.6 -96.3 135.2 0.1 5.3 6.5 18 21 A D E -A 29 0A 94 11,-2.6 11,-2.9 -2,-0.4 2,-0.3 -0.958 19.6-157.9-150.7 169.5 0.5 5.3 2.8 19 22 A F E -A 28 0A 64 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.977 5.0-161.5-147.3 160.1 0.6 7.8 -0.1 20 23 A Q E -A 27 0A 97 7,-1.9 7,-3.0 -2,-0.3 2,-0.4 -0.982 10.4-162.9-144.5 129.8 0.1 7.8 -3.8 21 24 A Q E +A 26 0A 47 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.942 13.7 177.8-119.6 136.7 1.2 10.6 -6.2 22 25 A N E > -A 25 0A 104 3,-3.0 3,-2.5 -2,-0.4 2,-0.3 -0.794 65.0 -74.5-129.4 92.3 0.1 11.3 -9.7 23 26 A Q T 3 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.3 94,-0.1 -0.376 121.6 1.5 54.5-115.3 1.9 14.4 -10.9 24 27 A H T 3 S+ 0 0 76 -2,-0.3 60,-2.9 -3,-0.1 2,-0.6 0.572 120.5 85.1 -79.7 -5.2 0.3 17.4 -9.2 25 28 A D E < +AB 22 83A 98 -3,-2.5 -3,-3.0 58,-0.2 2,-0.4 -0.846 53.4 177.7-107.1 117.3 -2.1 15.1 -7.2 26 29 A L E -AB 21 82A 5 56,-2.9 56,-3.5 -2,-0.6 2,-0.5 -0.956 9.9-163.1-114.5 133.0 -1.0 13.5 -4.0 27 30 A N E -AB 20 81A 48 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.4 -0.979 2.3-163.9-114.3 125.3 -3.2 11.4 -1.8 28 31 A L E -AB 19 80A 0 52,-2.9 52,-2.7 -2,-0.5 2,-0.4 -0.901 13.2-173.0-104.2 138.1 -2.3 10.7 1.8 29 32 A T E -AB 18 79A 11 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.4 -0.991 16.8-171.8-133.7 137.7 -4.1 7.8 3.6 30 33 A W E -AB 17 78A 0 48,-2.5 48,-2.2 -2,-0.4 2,-0.6 -0.998 13.5-153.0-121.9 124.8 -4.2 6.4 7.1 31 34 A Q E -AB 16 77A 112 -15,-2.9 -15,-2.4 -2,-0.4 2,-0.7 -0.865 20.4-154.9 -90.1 126.8 -6.0 3.2 7.7 32 35 A I E -A 15 0A 7 44,-2.3 44,-0.5 -2,-0.6 -17,-0.2 -0.864 10.5-127.2-114.7 111.2 -7.1 3.5 11.3 33 36 A K > - 0 0 101 -19,-2.6 3,-1.7 -2,-0.7 43,-0.3 -0.104 35.3 -94.1 -52.1 145.7 -7.6 0.3 13.3 34 37 A D T 3 S+ 0 0 140 1,-0.3 -1,-0.1 41,-0.1 3,-0.1 -0.414 116.3 31.5 -59.0 132.1 -10.9 -0.2 15.1 35 38 A G T 3 S+ 0 0 11 1,-0.4 67,-2.8 -3,-0.1 68,-0.5 0.533 107.8 88.3 97.0 5.2 -10.4 1.1 18.7 36 39 A Y E < -C 101 0B 1 -3,-1.7 40,-0.4 65,-0.3 -1,-0.4 -0.921 52.1-173.8-133.5 158.0 -7.9 3.8 17.7 37 40 A Y E -C 100 0B 6 63,-2.4 63,-2.6 -2,-0.3 2,-0.4 -0.992 19.4-130.9-155.4 154.3 -8.1 7.4 16.5 38 41 A L E -CD 99 74B 0 36,-2.1 36,-2.4 -2,-0.3 2,-0.6 -0.835 25.4-124.8 -99.6 141.1 -6.1 10.3 15.2 39 42 A Y E > - D 0 73B 4 59,-2.4 3,-1.4 -2,-0.4 59,-0.4 -0.740 12.3-148.7 -81.3 125.2 -6.3 13.9 16.7 40 43 A R G > S+ 0 0 32 32,-2.5 3,-1.6 -2,-0.6 -1,-0.2 0.927 96.2 56.8 -54.4 -43.2 -7.2 16.3 13.9 41 44 A K G 3 S+ 0 0 131 31,-0.5 -1,-0.3 1,-0.3 32,-0.1 0.589 98.2 61.5 -68.7 -11.8 -5.2 19.1 15.6 42 45 A Q G < S+ 0 0 59 -3,-1.4 2,-0.5 56,-0.2 -1,-0.3 0.401 77.0 108.0 -99.5 1.6 -1.9 17.0 15.7 43 46 A I < + 0 0 18 -3,-1.6 2,-0.4 -4,-0.3 54,-0.2 -0.663 42.2 174.2 -84.4 131.0 -1.6 16.7 11.9 44 47 A R E -G 96 0C 148 52,-2.5 52,-3.0 -2,-0.5 2,-0.4 -1.000 10.7-170.1-134.3 131.8 1.2 18.8 10.4 45 48 A I E +G 95 0C 34 -2,-0.4 50,-0.2 50,-0.2 10,-0.1 -0.990 8.4 178.4-127.0 126.6 2.2 18.7 6.8 46 49 A T E -G 94 0C 67 48,-2.6 48,-3.0 -2,-0.4 2,-0.2 -0.964 17.0-145.2-135.5 116.2 5.4 20.5 5.6 47 50 A P E -G 93 0C 44 0, 0.0 2,-0.5 0, 0.0 46,-0.2 -0.538 5.4-158.6 -77.7 146.9 6.9 20.6 2.2 48 51 A E E S-G 92 0C 57 44,-2.9 44,-2.1 -2,-0.2 3,-0.1 -0.994 81.7 -11.7-123.0 115.7 10.7 20.7 1.6 49 52 A H E S+ 0 0 146 -2,-0.5 39,-2.8 1,-0.2 2,-0.3 0.788 119.8 97.0 64.9 31.6 11.7 22.0 -1.8 50 53 A A E -G 87 0C 13 37,-0.2 2,-0.5 42,-0.1 37,-0.3 -0.977 66.1-138.1-146.3 155.3 8.1 21.9 -3.0 51 54 A K E -G 86 0C 136 35,-2.9 34,-2.2 -2,-0.3 35,-2.0 -0.983 27.6-180.0-115.7 121.4 5.1 24.2 -3.3 52 55 A I E -G 84 0C 36 -2,-0.5 32,-0.2 32,-0.3 3,-0.1 -0.868 28.8-109.3-121.6 154.9 1.7 22.9 -2.2 53 56 A A - 0 0 35 30,-2.6 30,-0.2 -2,-0.3 -1,-0.0 -0.405 56.6 -75.0 -73.0 160.9 -1.8 24.3 -2.1 54 57 A D - 0 0 169 1,-0.1 2,-0.5 28,-0.1 29,-0.1 -0.257 51.2-131.8 -53.0 141.0 -3.3 25.1 1.3 55 58 A V - 0 0 44 -10,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.897 15.7-160.2-104.2 123.1 -4.4 21.8 3.0 56 59 A Q - 0 0 142 -2,-0.5 -2,-0.0 25,-0.2 0, 0.0 -0.900 13.0-141.8-101.8 117.7 -7.9 21.6 4.4 57 60 A L - 0 0 27 -2,-0.6 23,-0.1 1,-0.1 3,-0.1 -0.598 25.7-116.7 -77.4 143.5 -8.4 18.9 7.0 58 61 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.207 34.0 -85.0 -78.2 170.2 -11.8 17.2 6.7 59 62 A Q + 0 0 135 1,-0.1 2,-0.1 15,-0.0 14,-0.0 -0.591 51.6 179.7 -78.6 121.2 -14.5 17.2 9.4 60 63 A G - 0 0 14 -2,-0.5 2,-0.3 1,-0.1 14,-0.2 -0.126 30.0 -85.0-103.4-156.6 -14.0 14.4 11.9 61 64 A V E -E 73 0B 81 12,-2.7 12,-3.5 -2,-0.1 2,-0.3 -0.759 36.1-113.3-115.2 158.2 -16.0 13.4 15.0 62 65 A W E +E 72 0B 165 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.703 37.6 174.6 -93.6 147.4 -15.9 14.8 18.5 63 66 A H E -E 71 0B 56 8,-1.9 8,-2.1 -2,-0.3 2,-0.5 -0.996 24.3-131.3-148.7 150.3 -14.6 12.6 21.3 64 67 A E E +E 70 0B 125 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.876 33.2 153.4-106.7 132.2 -13.8 12.9 25.0 65 68 A D E > -E 69 0B 7 4,-2.0 4,-1.4 -2,-0.5 -2,-0.0 -0.945 51.9-112.1-144.7 174.2 -10.7 11.6 26.6 66 69 A E T 4 S+ 0 0 166 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 0.587 106.8 70.0 -82.8 -16.3 -8.6 12.5 29.7 67 70 A F T 4 S- 0 0 96 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 1.000 126.5 -10.2 -64.8 -64.5 -5.8 13.7 27.5 68 71 A Y T 4 S- 0 0 127 1,-0.4 2,-0.6 3,-0.0 -2,-0.2 0.266 85.7-128.0-118.4 5.3 -7.4 16.9 26.2 69 72 A G E < S+ E 0 65B 21 -4,-1.4 -4,-2.0 2,-0.0 2,-0.6 -0.695 81.4 11.0 78.4-125.6 -11.0 16.8 27.1 70 73 A K E S+ E 0 64B 70 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.749 78.9 149.5 -91.0 123.9 -13.1 17.4 24.0 71 74 A S E - E 0 63B 20 -8,-2.1 -8,-1.9 -2,-0.6 2,-0.5 -0.981 48.2 -97.8-149.8 167.8 -11.3 17.3 20.6 72 75 A E E + E 0 62B 9 -2,-0.3 -32,-2.5 -10,-0.2 -31,-0.5 -0.694 47.4 179.3 -88.1 130.5 -12.0 16.4 17.0 73 76 A I E -DE 39 61B 1 -12,-3.5 -12,-2.7 -2,-0.5 2,-0.4 -0.815 23.4-132.9-129.9 164.5 -10.7 13.0 16.0 74 77 A Y E +D 38 0B 11 -36,-2.4 -36,-2.1 -2,-0.3 2,-0.3 -0.974 22.8 178.6-120.7 133.0 -10.6 10.6 13.1 75 78 A R + 0 0 66 -2,-0.4 2,-3.0 2,-0.2 -38,-0.1 -0.829 58.6 13.2-122.2 168.2 -11.5 6.9 13.0 76 79 A D S S- 0 0 115 -44,-0.5 -44,-2.3 -40,-0.4 2,-0.3 -0.319 124.6 -11.2 72.4 -63.3 -11.6 4.1 10.4 77 80 A R E -B 31 0A 129 -2,-3.0 2,-0.4 -46,-0.2 -2,-0.2 -0.965 52.7-147.5-163.1 149.1 -9.6 6.0 7.8 78 81 A L E -B 30 0A 5 -48,-2.2 -48,-2.5 -2,-0.3 2,-0.5 -0.998 14.8-171.5-122.5 125.1 -8.3 9.4 7.0 79 82 A T E +B 29 0A 70 -2,-0.4 -50,-0.2 -50,-0.2 -2,-0.0 -0.975 7.8 178.0-112.2 125.3 -8.1 10.4 3.3 80 83 A L E -B 28 0A 1 -52,-2.7 -52,-2.9 -2,-0.5 2,-0.3 -0.921 14.8-154.2-135.0 107.9 -6.2 13.7 2.6 81 84 A P E -B 27 0A 90 0, 0.0 2,-0.4 0, 0.0 -25,-0.2 -0.623 11.6-168.5 -75.0 139.5 -5.6 15.1 -0.9 82 85 A V E -B 26 0A 4 -56,-3.5 -56,-2.9 -2,-0.3 2,-0.6 -0.988 12.7-144.3-126.3 139.4 -2.6 17.4 -1.4 83 86 A T E -B 25 0A 57 -2,-0.4 -30,-2.6 -30,-0.2 2,-0.8 -0.920 8.6-156.7-104.9 119.7 -2.0 19.5 -4.5 84 87 A I E +G 52 0C 0 -60,-2.9 -32,-0.3 -2,-0.6 3,-0.1 -0.882 13.8 178.4 -97.4 108.6 1.6 19.8 -5.4 85 88 A N E S- 0 0 79 -34,-2.2 2,-0.3 -2,-0.8 -33,-0.2 0.827 73.7 -3.9 -79.2 -33.9 2.0 23.0 -7.5 86 89 A Q E -G 51 0C 34 -35,-2.0 -35,-2.9 35,-0.2 2,-0.3 -0.984 61.0-179.9-153.5 148.4 5.7 22.5 -7.8 87 90 A A E -GH 50 119C 0 32,-2.9 32,-2.2 -2,-0.3 -37,-0.2 -0.914 18.5-142.6-150.0 126.6 8.3 20.0 -6.5 88 91 A S E > - 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