==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUL-11 3ZU5 . COMPND 2 MOLECULE: PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.W.HIRSCHBECK,J.KUPER,P.J.TONGE,C.KISKER . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.0 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 2 0 0 0 0 0 0 4 1 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 3 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 . 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 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 S >> 0 0 103 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -14.1 14.6 -43.9 27.3 2 -3 A H T 34 + 0 0 139 1,-0.2 3,-0.1 2,-0.2 390,-0.1 0.736 360.0 61.5 -64.5 -24.5 11.4 -45.9 26.7 3 -2 A M T 34 S+ 0 0 148 1,-0.2 -1,-0.2 3,-0.0 83,-0.1 0.780 107.8 43.2 -68.1 -28.0 9.4 -42.7 27.3 4 -1 A L T <4 S+ 0 0 89 -3,-0.7 391,-0.3 81,-0.1 2,-0.3 0.522 113.7 61.2 -93.9 -10.5 11.2 -41.1 24.3 5 0 A E < - 0 0 65 -4,-0.6 2,-0.3 388,-0.2 388,-0.2 -0.754 62.3-179.6-116.4 163.4 10.8 -44.2 22.1 6 1 A M B -A 392 0A 52 386,-2.3 386,-2.6 -2,-0.3 2,-0.5 -0.978 34.8-106.5-155.0 161.2 7.8 -46.1 20.8 7 2 A I - 0 0 77 -2,-0.3 2,-0.5 384,-0.2 384,-0.1 -0.858 40.8-151.3 -89.0 129.0 6.6 -49.1 18.8 8 3 A I + 0 0 4 -2,-0.5 382,-0.1 382,-0.4 13,-0.0 -0.942 20.8 169.9-114.5 125.9 5.2 -47.7 15.5 9 4 A K - 0 0 134 -2,-0.5 11,-0.1 372,-0.0 2,-0.1 -0.837 43.2 -82.1-124.3 161.7 2.5 -49.5 13.6 10 5 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 10,-0.1 -0.393 39.0-172.4 -65.1 140.1 0.4 -48.4 10.6 11 6 A R - 0 0 122 8,-0.1 7,-2.9 -2,-0.1 2,-0.7 -0.960 8.1-158.6-132.4 113.1 -2.7 -46.3 11.5 12 7 A V E -B 17 0B 74 -2,-0.4 2,-0.7 5,-0.2 5,-0.3 -0.848 10.1-177.2 -99.9 108.7 -5.0 -45.7 8.5 13 8 A R E > S-B 16 0B 140 3,-2.9 3,-1.6 -2,-0.7 -2,-0.0 -0.915 73.7 -28.4-106.6 109.1 -7.2 -42.6 8.9 14 9 A G T 3 S- 0 0 65 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.920 125.6 -45.1 53.0 57.0 -9.6 -42.2 5.9 15 10 A F T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.298 120.6 108.7 71.0 -8.1 -7.4 -43.9 3.3 16 11 A I E < -B 13 0B 100 -3,-1.6 -3,-2.9 267,-0.0 2,-0.7 -0.866 67.0-139.4 -98.3 127.8 -4.3 -41.9 4.6 17 12 A C E -B 12 0B 7 -2,-0.4 -5,-0.2 -5,-0.3 -3,-0.0 -0.804 18.3-169.7 -84.7 117.7 -1.6 -43.8 6.6 18 13 A V + 0 0 48 -7,-2.9 2,-0.3 -2,-0.7 -1,-0.1 0.359 60.9 61.4 -97.2 6.4 -0.8 -41.3 9.4 19 14 A T - 0 0 8 -8,-0.4 2,-0.3 68,-0.1 72,-0.1 -0.856 59.4-166.7-124.5 163.9 2.3 -43.0 10.8 20 15 A A - 0 0 1 -2,-0.3 360,-0.2 70,-0.1 69,-0.1 -0.984 19.7-131.0-150.4 142.8 5.7 -43.8 9.2 21 16 A H > - 0 0 3 358,-2.9 4,-2.3 -2,-0.3 5,-0.2 -0.863 9.2-153.7-102.7 118.9 8.3 -46.1 10.5 22 17 A P H > S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.880 94.3 45.8 -61.1 -39.6 11.9 -44.6 10.5 23 18 A T H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.890 113.5 49.3 -69.9 -42.0 13.8 -47.9 10.2 24 19 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 356,-0.3 0.834 109.5 51.8 -63.3 -37.7 11.5 -49.2 7.5 25 20 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 354,-0.3 -2,-0.2 0.913 109.3 50.3 -66.4 -41.7 11.9 -46.0 5.5 26 21 A E H X S+ 0 0 65 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.938 111.1 49.3 -58.0 -46.2 15.6 -46.3 5.8 27 22 A A H X S+ 0 0 28 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.824 110.7 50.6 -60.9 -34.0 15.4 -49.9 4.6 28 23 A N H X S+ 0 0 25 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.899 111.1 47.2 -73.1 -42.3 13.2 -48.8 1.6 29 24 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 112.2 50.9 -60.6 -44.3 15.7 -46.1 0.6 30 25 A K H X S+ 0 0 86 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.882 107.7 52.7 -63.9 -44.0 18.5 -48.6 0.9 31 26 A K H X S+ 0 0 135 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.870 109.6 49.1 -55.5 -43.5 16.7 -51.1 -1.3 32 27 A Q H X S+ 0 0 24 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.930 112.8 47.6 -63.7 -46.4 16.2 -48.4 -4.0 33 28 A I H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.938 110.5 51.5 -55.0 -51.7 19.9 -47.5 -3.7 34 29 A D H X S+ 0 0 59 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.805 107.1 55.1 -61.1 -31.9 20.9 -51.3 -4.0 35 30 A Y H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.966 110.6 44.2 -59.0 -56.3 18.7 -51.5 -7.1 36 31 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.893 116.4 45.2 -56.3 -46.7 20.6 -48.7 -8.8 37 32 A T H < S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.2 52.6 -73.0 -31.4 24.1 -49.9 -7.8 38 33 A T H < S+ 0 0 110 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.900 110.6 46.8 -64.6 -44.5 23.2 -53.5 -8.8 39 34 A E H < S- 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.1-123.0 -66.8 -36.0 22.1 -52.4 -12.2 40 35 A G < - 0 0 14 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.305 32.6 -41.7 116.4 166.6 25.3 -50.3 -12.5 41 36 A P - 0 0 113 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.173 49.7-127.6 -61.6 152.7 26.5 -46.8 -13.0 42 37 A I > - 0 0 10 27,-3.1 3,-0.6 23,-0.2 2,-0.1 -0.931 23.1-134.1-104.9 121.8 24.9 -44.4 -15.6 43 38 A A T 3 S+ 0 0 71 -2,-0.5 27,-0.0 1,-0.2 26,-0.0 -0.457 78.3 11.1 -74.5 139.4 27.4 -42.8 -18.1 44 39 A N T 3 S+ 0 0 144 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.787 86.0 148.9 69.3 35.9 27.3 -39.0 -18.9 45 40 A G < - 0 0 12 -3,-0.6 -1,-0.2 1,-0.2 278,-0.0 -0.408 54.3 -81.2 -93.6 171.1 24.8 -37.9 -16.2 46 41 A P - 0 0 15 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.295 29.8-157.6 -68.5 156.5 24.6 -34.5 -14.4 47 42 A K S S+ 0 0 108 1,-0.3 26,-2.6 25,-0.1 2,-0.4 0.582 81.6 43.0-111.7 -16.0 27.0 -34.0 -11.5 48 43 A R E S-c 73 0C 62 24,-0.2 90,-3.1 2,-0.0 91,-1.5 -0.955 76.5-178.4-138.5 107.0 25.2 -31.2 -9.6 49 44 A V E -cd 74 139C 0 24,-2.4 26,-2.8 -2,-0.4 2,-0.6 -0.945 21.4-161.0-122.4 126.0 21.4 -31.9 -9.4 50 45 A L E -cd 75 140C 0 89,-2.7 91,-2.8 -2,-0.5 2,-0.5 -0.959 13.2-167.3 -97.5 118.9 18.6 -29.9 -7.9 51 46 A V E -cd 76 141C 0 24,-2.3 26,-2.4 -2,-0.6 2,-0.8 -0.957 7.0-158.4-104.7 113.6 15.5 -32.1 -7.2 52 47 A I E S+cd 77 142C 0 89,-3.1 91,-3.0 -2,-0.5 26,-0.2 -0.845 87.7 21.8 -89.0 108.1 12.3 -30.2 -6.4 53 48 A G S S+ 0 0 11 24,-3.0 -1,-0.2 -2,-0.8 25,-0.2 0.821 82.2 156.0 96.9 59.9 10.0 -32.7 -4.5 54 49 A A + 0 0 0 23,-2.1 24,-0.2 -3,-0.4 9,-0.1 0.403 45.0 75.6-102.9 2.1 12.9 -35.0 -3.5 55 50 A S S S+ 0 0 4 22,-0.2 2,-0.3 1,-0.1 40,-0.2 0.680 97.7 15.4 -95.0 -20.2 11.6 -36.9 -0.4 56 51 A T S >> S- 0 0 33 -3,-0.2 4,-1.5 39,-0.1 3,-0.8 -0.943 102.8 -5.5-146.9 164.6 9.1 -39.5 -1.8 57 52 A G H 3> S- 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.080 120.1 -5.4 55.7-137.0 8.0 -41.3 -4.9 58 53 A Y H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 134.4 52.3 -65.9 -33.7 9.5 -40.3 -8.3 59 54 A G H <> S+ 0 0 0 -3,-0.8 4,-2.2 84,-0.3 -1,-0.2 0.921 110.6 49.3 -69.7 -39.9 11.5 -37.3 -7.0 60 55 A L H X S+ 0 0 3 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.913 111.1 49.7 -58.2 -46.9 13.1 -39.4 -4.4 61 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.875 108.9 52.6 -62.7 -37.7 13.9 -42.0 -7.1 62 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.912 110.1 49.0 -61.0 -40.7 15.4 -39.3 -9.3 63 58 A R H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 112.6 46.8 -66.5 -42.1 17.6 -38.2 -6.3 64 59 A I H X>S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.930 114.3 47.3 -66.2 -46.0 18.7 -41.8 -5.7 65 60 A T H X>S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 5,-1.7 0.931 114.4 46.8 -57.4 -48.9 19.5 -42.4 -9.5 66 61 A A H <5S+ 0 0 0 -4,-2.9 6,-3.1 3,-0.2 4,-0.5 0.946 121.2 37.6 -59.4 -50.8 21.4 -39.1 -9.8 67 62 A A H X5S+ 0 0 1 -4,-2.6 4,-0.6 4,-0.3 -2,-0.2 0.957 130.7 24.2 -64.2 -58.1 23.4 -39.7 -6.6 68 63 A F H <5S+ 0 0 22 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.536 131.2 37.6 -99.4 -10.2 24.1 -43.4 -6.7 69 64 A G T < -K 87 0D 123 3,-2.3 3,-2.4 -2,-0.1 312,-0.1 -0.938 42.2 -62.1-142.4 173.9 8.7 -35.7 17.6 85 80 A E T 3 S+ 0 0 125 -2,-0.3 -80,-0.1 1,-0.3 -81,-0.1 -0.286 124.1 0.2 -55.6 133.7 8.3 -37.6 20.8 86 81 A G T 3 S+ 0 0 56 -82,-0.2 -1,-0.3 -83,-0.1 -81,-0.1 0.384 121.8 84.9 67.4 0.0 5.1 -39.7 20.5 87 82 A K B < S-K 84 0D 96 -3,-2.4 -3,-2.3 -68,-0.0 -1,-0.1 -0.795 71.9-143.1-144.0 88.7 4.5 -38.4 16.9 88 83 A P - 0 0 9 0, 0.0 -67,-0.1 0, 0.0 3,-0.1 -0.155 22.3-127.8 -51.2 143.1 6.1 -40.1 13.9 89 84 A G - 0 0 0 305,-0.4 -6,-0.1 1,-0.2 -69,-0.1 -0.186 41.3 -70.1 -81.7-176.1 7.2 -37.7 11.2 90 85 A T >> - 0 0 29 -9,-2.3 4,-1.8 1,-0.1 3,-0.8 -0.374 40.9-113.9 -76.8 158.1 6.2 -38.1 7.6 91 86 A S H 3> S+ 0 0 3 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.892 117.4 57.2 -58.4 -40.4 7.7 -40.9 5.4 92 87 A G H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.804 103.1 54.4 -59.7 -31.9 9.5 -38.3 3.3 93 88 A W H <> S+ 0 0 12 -3,-0.8 4,-2.2 -12,-0.2 -1,-0.2 0.961 112.9 41.5 -64.8 -53.4 11.2 -37.0 6.4 94 89 A Y H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.840 112.4 56.0 -62.5 -35.2 12.6 -40.4 7.3 95 90 A N H X S+ 0 0 6 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.903 110.8 43.6 -61.1 -46.6 13.4 -41.1 3.6 96 91 A S H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.835 109.3 56.3 -69.3 -37.0 15.5 -38.0 3.4 97 92 A A H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.946 111.4 44.8 -58.0 -46.0 17.2 -38.7 6.7 98 93 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.880 111.3 53.6 -65.7 -41.0 18.2 -42.1 5.3 99 94 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.955 108.0 48.7 -59.6 -51.9 19.3 -40.5 2.0 100 95 A H H X S+ 0 0 10 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 112.3 50.4 -54.1 -44.1 21.6 -38.1 3.8 101 96 A K H X S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 114.7 41.9 -60.1 -48.6 23.1 -40.9 5.8 102 97 A F H X S+ 0 0 18 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.880 112.2 54.5 -72.2 -33.9 23.8 -43.1 2.7 103 98 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.6 -5,-0.2 3,-0.7 0.961 109.0 48.2 -60.2 -51.2 25.1 -40.2 0.6 104 99 A A H ><5S+ 0 0 71 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.874 106.0 57.7 -58.4 -41.4 27.6 -39.4 3.3 105 100 A Q H 3<5S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.842 111.4 42.9 -55.5 -34.2 28.7 -43.0 3.6 106 101 A K T <<5S- 0 0 134 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.366 119.3-112.5 -93.7 4.5 29.6 -42.9 -0.1 107 102 A G T < 5 + 0 0 70 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.817 68.9 142.2 67.9 33.6 31.2 -39.4 0.2 108 103 A L < - 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