==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 09-JAN-12 3VFI . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER PHAGE DSS3PHI2; . AUTHOR T.K.CRAIG,A.GARDBERG,D.D.LORIMER,A.B.BURGIN JR.,A.SEGALL,F.R . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 13.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 97 0, 0.0 52,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 139.4 6.4 -4.8 -0.4 2 3 A R E -a 53 0A 150 50,-0.5 52,-2.5 1,-0.0 2,-0.4 -0.386 360.0-143.6 -69.5 147.9 9.6 -4.8 1.7 3 4 A S E -a 54 0A 73 50,-0.2 2,-0.3 -2,-0.1 52,-0.2 -0.925 16.5-158.0-110.2 139.1 11.4 -1.5 2.3 4 5 A L E -a 55 0A 6 50,-2.9 52,-0.5 -2,-0.4 2,-0.2 -0.801 4.2-158.2-115.8 159.0 15.2 -1.6 2.4 5 6 A S >> - 0 0 24 -2,-0.3 3,-1.7 50,-0.1 4,-0.8 -0.735 41.9 -91.7-122.7 176.8 17.8 0.7 4.0 6 7 A D H >> S+ 0 0 41 53,-2.5 3,-0.8 1,-0.3 4,-0.5 0.876 125.3 58.4 -54.3 -38.4 21.4 1.4 3.3 7 8 A S H 34 S+ 0 0 108 52,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.628 108.2 45.5 -70.1 -13.3 22.3 -1.3 5.9 8 9 A D H <> S+ 0 0 50 -3,-1.7 4,-2.7 2,-0.1 5,-0.4 0.566 90.1 87.7 -99.0 -16.3 20.4 -3.9 3.9 9 10 A F H S+ 0 0 3 -4,-0.8 4,-2.3 -3,-0.8 5,-1.8 0.885 83.9 49.9 -63.1 -46.8 21.7 -3.1 0.5 10 11 A Q H <>S+ 0 0 102 -4,-0.5 5,-2.1 3,-0.2 6,-0.3 0.943 119.5 37.3 -57.8 -48.2 24.9 -5.2 0.4 11 12 A L H 45S+ 0 0 101 -4,-0.2 5,-0.4 3,-0.2 -2,-0.2 0.947 124.3 36.8 -67.6 -50.6 23.0 -8.4 1.5 12 13 A E H <5S+ 0 0 48 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.701 134.4 16.9 -84.5 -22.1 19.7 -8.0 -0.3 13 14 A V T <5S+ 0 0 1 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.748 128.4 38.6-115.5 -51.4 20.9 -6.4 -3.6 14 15 A R T - 0 0 12 -2,-0.7 4,-1.4 -3,-0.4 3,-0.3 -0.770 40.4-176.3-151.0 100.0 5.9 13.1 -3.4 30 31 A Q H > S+ 0 0 147 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 0.919 89.4 57.4 -60.3 -46.0 2.5 12.9 -5.0 31 32 A P H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.833 105.5 52.0 -54.7 -34.9 3.9 11.2 -8.1 32 33 A a H > S+ 0 0 1 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.865 105.3 54.8 -70.6 -37.7 5.3 8.4 -5.9 33 34 A K H < S+ 0 0 83 -4,-1.4 -1,-0.2 -3,-0.3 -3,-0.1 0.877 110.7 44.8 -63.4 -39.6 1.9 7.8 -4.3 34 35 A K H X S+ 0 0 72 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.764 112.5 51.4 -77.6 -25.5 0.2 7.3 -7.6 35 36 A M H X S+ 0 0 7 -4,-1.2 4,-2.8 -5,-0.2 5,-0.2 0.747 90.9 78.6 -85.1 -21.4 2.9 5.0 -8.9 36 37 A K H X S+ 0 0 28 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.922 92.2 49.3 -52.4 -50.6 2.9 2.7 -5.9 37 38 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.894 112.9 49.0 -60.7 -34.3 -0.2 0.8 -6.9 38 39 A T H X S+ 0 0 26 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.931 111.6 48.2 -65.3 -47.7 1.3 0.3 -10.4 39 40 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.924 115.2 46.2 -57.8 -44.9 4.6 -0.9 -9.0 40 41 A E H X S+ 0 0 89 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.835 109.7 52.6 -71.7 -32.5 2.7 -3.3 -6.7 41 42 A E H X S+ 0 0 103 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.935 111.9 47.1 -63.8 -42.3 0.4 -4.6 -9.5 42 43 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.905 107.4 56.9 -66.5 -39.6 3.5 -5.3 -11.5 43 44 A A H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 105.4 51.5 -55.1 -44.3 5.2 -7.0 -8.5 44 45 A S H >< S+ 0 0 87 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.854 111.2 47.1 -64.6 -35.2 2.2 -9.4 -8.3 45 46 A Q H 3< S+ 0 0 100 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.788 116.7 42.7 -73.1 -32.1 2.5 -10.3 -12.0 46 47 A M T >X S+ 0 0 12 -4,-1.9 3,-2.4 -5,-0.1 4,-2.3 0.155 78.2 145.9-105.5 17.9 6.2 -10.9 -11.8 47 48 A E T <4 S+ 0 0 172 -3,-0.6 4,-0.1 1,-0.3 -3,-0.1 -0.368 74.0 17.2 -61.0 125.7 6.3 -12.8 -8.5 48 49 A G T 34 S+ 0 0 77 2,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.407 122.5 64.2 91.7 -1.6 9.1 -15.4 -8.7 49 50 A D T <4 S+ 0 0 116 -3,-2.4 2,-0.4 1,-0.4 -2,-0.2 0.678 113.9 8.8-113.5 -49.5 10.7 -13.7 -11.7 50 51 A I S < S- 0 0 20 -4,-2.3 -1,-0.4 -7,-0.2 -2,-0.3 -0.999 70.4-130.9-136.4 138.7 11.8 -10.4 -10.2 51 52 A R E - b 0 20A 55 -32,-2.5 -30,-2.5 -2,-0.4 2,-0.4 -0.626 20.6-155.8 -84.5 147.7 11.8 -9.1 -6.6 52 53 A F E + b 0 21A 16 -2,-0.2 -50,-0.5 -32,-0.2 2,-0.3 -0.988 20.8 158.7-126.4 136.1 10.3 -5.6 -6.0 53 54 A A E -ab 2 22A 4 -32,-1.9 -30,-2.5 -2,-0.4 2,-0.3 -0.972 30.0-127.2-151.3 158.4 11.2 -3.4 -3.0 54 55 A Y E -ab 3 23A 21 -52,-2.5 -50,-2.9 -2,-0.3 2,-0.4 -0.784 10.9-165.4-100.5 153.3 11.0 0.2 -1.9 55 56 A M E -ab 4 24A 0 -32,-2.1 -30,-2.1 -2,-0.3 2,-0.2 -0.933 16.1-146.0-134.8 119.6 13.8 2.4 -0.5 56 57 A D E >> - b 0 25A 32 -52,-0.5 3,-1.3 -2,-0.4 4,-0.9 -0.577 19.9-123.2 -80.1 145.3 12.7 5.6 1.2 57 58 A A G >4 S+ 0 0 29 -32,-2.4 3,-0.6 1,-0.3 4,-0.1 0.848 111.0 58.6 -52.5 -39.6 15.0 8.6 0.8 58 59 A E G 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.755 116.0 33.3 -66.1 -25.1 15.3 8.9 4.6 59 60 A D G <4 S+ 0 0 88 -3,-1.3 -53,-2.5 -55,-0.1 -52,-0.3 0.411 118.9 51.9-106.6 -4.7 16.7 5.3 4.9 60 61 A A S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.898 80.6 43.3 -53.6 -45.9 20.9 8.3 1.6 62 63 A K H > S+ 0 0 153 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 114.9 49.1 -72.1 -38.5 24.1 6.4 0.9 63 64 A T H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.919 112.5 47.1 -65.9 -45.0 22.6 4.1 -1.8 64 65 A M H <>S+ 0 0 28 -4,-2.7 5,-2.3 2,-0.2 4,-0.2 0.886 111.7 53.1 -65.8 -36.9 20.9 7.0 -3.6 65 66 A A H ><5S+ 0 0 68 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.974 110.7 43.2 -63.0 -55.0 24.2 9.0 -3.5 66 67 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.745 118.2 45.9 -68.6 -22.6 26.4 6.3 -5.0 67 68 A L T 3<5S- 0 0 33 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.369 107.3-130.7 -92.7 2.2 23.8 5.4 -7.6 68 69 A N T < 5 + 0 0 142 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.2 0.835 46.6 164.2 48.4 42.7 23.4 9.2 -8.3 69 70 A I < + 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.801 10.1 145.4 -93.6 118.9 19.6 8.9 -8.0 70 71 A R + 0 0 76 -2,-0.6 -1,-0.2 3,-0.1 4,-0.1 0.746 41.8 84.8-113.4 -65.4 17.8 12.2 -7.6 71 72 A T S S- 0 0 63 1,-0.1 18,-0.2 2,-0.1 -47,-0.1 0.010 81.6-103.0 -42.9 146.7 14.4 12.3 -9.3 72 73 A L S S+ 0 0 56 1,-0.2 18,-0.2 16,-0.1 2,-0.1 -0.995 97.8 21.4-138.1 129.7 11.5 10.8 -7.4 73 74 A P S S+ 0 0 0 0, 0.0 16,-2.0 0, 0.0 2,-0.3 0.581 83.7 174.3 -83.8 163.7 10.3 8.3 -7.7 74 75 A S E -CD 24 88A 0 -50,-1.1 -50,-2.7 14,-0.2 2,-0.4 -0.900 19.6-143.7-124.9 153.3 13.2 6.5 -9.5 75 76 A L E -CD 23 87A 0 12,-2.7 12,-3.0 -2,-0.3 2,-0.4 -0.966 11.9-172.2-118.4 141.9 13.5 2.8 -10.5 76 77 A A E -CD 22 86A 0 -54,-2.0 -54,-2.7 -2,-0.4 2,-0.5 -0.981 7.6-158.4-135.1 118.2 16.7 0.8 -10.4 77 78 A L E -CD 21 85A 0 8,-2.4 7,-3.1 -2,-0.4 8,-1.1 -0.857 9.6-168.7 -98.9 128.1 16.8 -2.7 -11.9 78 79 A F E -CD 20 83A 1 -58,-3.1 -58,-1.9 -2,-0.5 2,-0.4 -0.947 7.1-176.7-117.5 138.8 19.6 -5.0 -10.7 79 80 A V E > S- D 0 82A 16 3,-2.3 3,-1.6 -2,-0.4 -61,-0.1 -0.998 77.2 -1.0-134.5 131.6 20.6 -8.4 -12.2 80 81 A D T 3 S- 0 0 111 -63,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.846 130.7 -61.6 56.1 36.2 23.3 -10.6 -10.7 81 82 A G T 3 S+ 0 0 8 -65,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.613 116.0 111.2 68.9 13.9 23.8 -7.9 -8.0 82 83 A M E < S-D 79 0A 117 -3,-1.6 -3,-2.3 -69,-0.0 -1,-0.2 -0.936 76.7-100.3-123.0 143.9 24.8 -5.3 -10.7 83 84 A I E +D 78 0A 72 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.349 36.9 174.0 -64.3 133.4 23.0 -2.3 -11.9 84 85 A R E - 0 0 113 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.798 62.1 -20.7-102.3 -54.6 21.1 -2.8 -15.2 85 86 A E E -D 77 0A 86 -8,-1.1 -8,-2.4 2,-0.0 2,-0.4 -0.991 49.6-146.7-157.0 153.0 19.2 0.4 -15.7 86 87 A V E -D 76 0A 42 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.996 12.4-160.5-126.3 127.9 17.9 3.4 -13.7 87 88 A F E -D 75 0A 66 -12,-3.0 -12,-2.7 -2,-0.4 2,-0.7 -0.936 7.7-148.7-111.3 131.1 14.7 5.2 -14.6 88 89 A S E -D 74 0A 70 -2,-0.5 -14,-0.2 -14,-0.2 2,-0.2 -0.863 60.2 -3.1-101.7 112.6 14.0 8.7 -13.4 89 90 A G S S- 0 0 19 -16,-2.0 2,-0.1 -2,-0.7 -2,-0.1 -0.546 94.8 -26.1 108.3-172.3 10.3 9.6 -12.8 90 91 A T - 0 0 81 -2,-0.2 2,-0.3 -18,-0.2 -2,-0.1 -0.391 44.1-172.0 -82.8 155.5 6.9 7.9 -13.2 91 92 A M - 0 0 16 -2,-0.1 -53,-0.1 -56,-0.0 2,-0.1 -0.995 19.6-129.9-140.6 143.0 5.7 5.2 -15.5 92 93 A N > - 0 0 85 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.256 44.2 -91.3 -75.7 177.4 2.3 3.8 -16.3 93 94 A K H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.872 124.0 47.7 -64.9 -39.8 1.8 0.0 -16.2 94 95 A S H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 113.6 46.6 -70.3 -38.8 2.5 -0.6 -19.9 95 96 A D H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.871 111.5 53.1 -69.0 -36.1 5.7 1.5 -19.9 96 97 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.930 109.2 48.2 -63.5 -46.5 6.8 -0.2 -16.7 97 98 A R H X S+ 0 0 91 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.941 113.4 47.4 -59.1 -46.9 6.3 -3.7 -18.2 98 99 A Y H X S+ 0 0 159 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.923 111.6 50.8 -60.5 -45.3 8.2 -2.7 -21.4 99 100 A W H X S+ 0 0 24 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.931 114.8 42.8 -59.8 -47.1 11.1 -1.1 -19.3 100 101 A I H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.9 0.974 117.2 43.7 -63.0 -57.1 11.5 -4.2 -17.2 101 102 A N H 3< S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 112.6 52.5 -65.0 -29.9 11.2 -6.9 -19.9 102 103 A N H 3< S+ 0 0 104 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.737 121.9 32.1 -76.0 -22.8 13.5 -4.9 -22.3 103 104 A N H << 0 0 39 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.595 360.0 360.0-106.3 -17.5 16.1 -4.7 -19.6 104 105 A I < 0 0 72 -4,-2.8 -3,-0.2 -5,-0.2 -4,-0.1 0.601 360.0 360.0 85.5 360.0 15.4 -8.0 -17.8