==== 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 3ZU3 . COMPND 2 MOLECULE: PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.W.HIRSCHBECK,J.KUPER,C.KISKER . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 72.3 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 . 21 5.2 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 . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 35.6 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 3 0 0 0 0 0 0 3 0 2 2 2 0 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 . 3 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 -5 A G > 0 0 77 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 44.8 13.9 -44.3 30.9 2 -4 A S G > + 0 0 79 1,-0.3 3,-0.8 2,-0.2 4,-0.1 0.605 360.0 74.7 -66.6 -13.2 14.6 -43.6 27.3 3 -3 A H G > S+ 0 0 121 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.747 79.8 71.0 -70.9 -25.0 11.4 -45.4 26.4 4 -2 A M G < S+ 0 0 140 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 104.2 42.4 -53.6 -33.8 9.4 -42.4 27.6 5 -1 A L G < S+ 0 0 83 -3,-0.8 391,-0.3 -4,-0.3 2,-0.2 0.387 112.4 67.6 -93.9 -1.5 10.8 -40.7 24.4 6 0 A E < - 0 0 64 -3,-1.2 2,-0.3 388,-0.2 388,-0.2 -0.738 59.5-171.3-119.7 167.4 10.2 -43.7 22.2 7 1 A M B -A 393 0A 50 386,-2.2 386,-2.4 -2,-0.2 2,-0.6 -0.969 31.2-111.7-150.9 163.0 7.2 -45.5 20.8 8 2 A I - 0 0 81 -2,-0.3 2,-0.5 384,-0.2 384,-0.1 -0.920 39.2-154.2 -95.3 120.8 6.0 -48.6 18.9 9 3 A I + 0 0 2 -2,-0.6 382,-0.1 382,-0.3 13,-0.0 -0.892 17.4 174.8-106.1 126.1 4.7 -47.3 15.6 10 4 A K - 0 0 86 -2,-0.5 2,-0.0 11,-0.0 11,-0.0 -0.836 40.3 -85.7-122.9 158.8 2.1 -49.2 13.7 11 5 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 10,-0.1 -0.389 33.5-170.8 -64.3 143.8 0.2 -48.4 10.5 12 6 A R - 0 0 132 8,-0.2 7,-2.4 -2,-0.0 2,-0.3 -0.808 18.2-179.5-133.7 90.9 -3.0 -46.3 10.9 13 7 A V E +B 18 0B 58 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.750 19.0 176.9-104.0 140.8 -4.6 -46.3 7.5 14 8 A R E > -B 17 0B 139 3,-3.5 3,-2.5 -2,-0.3 2,-0.2 -0.921 68.1 -55.3-140.8 106.8 -7.8 -44.7 6.4 15 9 A G T 3 S- 0 0 20 -2,-0.4 272,-0.0 1,-0.3 -1,-0.0 -0.384 124.5 -16.5 55.7-120.3 -8.6 -45.1 2.7 16 10 A F T 3 S+ 0 0 92 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.189 122.4 93.5-100.3 18.7 -5.6 -43.8 0.9 17 11 A I E < -B 14 0B 83 -3,-2.5 -3,-3.5 269,-0.1 2,-0.5 -0.933 48.7-174.4-112.0 128.9 -4.2 -42.0 4.0 18 12 A C E -B 13 0B 12 -2,-0.5 -5,-0.2 -5,-0.3 -2,-0.0 -0.983 7.4-165.1-117.0 120.6 -1.7 -43.5 6.5 19 13 A V + 0 0 51 -7,-2.4 2,-0.3 -2,-0.5 -6,-0.1 0.476 67.4 58.2 -88.9 0.0 -1.2 -41.1 9.5 20 14 A T - 0 0 12 -8,-0.2 2,-0.3 68,-0.0 -8,-0.2 -0.833 59.4-167.0-121.5 162.8 1.9 -42.8 10.8 21 15 A A - 0 0 1 -2,-0.3 360,-0.2 70,-0.1 69,-0.1 -0.982 19.6-130.8-147.7 144.9 5.3 -43.5 9.3 22 16 A H > - 0 0 1 358,-2.7 4,-2.8 -2,-0.3 5,-0.2 -0.863 8.7-156.5-103.3 115.0 8.1 -45.8 10.6 23 17 A P H > S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.883 94.2 44.2 -56.8 -44.3 11.6 -44.2 10.7 24 18 A T H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.912 115.0 49.2 -68.6 -42.3 13.5 -47.4 10.6 25 19 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 356,-0.3 0.878 109.7 50.8 -64.3 -40.8 11.3 -48.8 7.9 26 20 A C H X S+ 0 0 0 -4,-2.8 4,-2.6 354,-0.3 -1,-0.2 0.919 110.2 50.8 -63.4 -41.6 11.6 -45.7 5.8 27 21 A E H X S+ 0 0 63 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.932 111.4 48.3 -58.9 -43.6 15.4 -45.9 6.2 28 22 A A H X S+ 0 0 26 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.866 110.0 51.9 -64.4 -37.6 15.2 -49.5 5.0 29 23 A N H X S+ 0 0 21 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.932 110.7 47.5 -66.5 -43.9 13.1 -48.6 2.1 30 24 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 110.9 52.0 -60.3 -43.1 15.5 -45.9 1.0 31 25 A K H X S+ 0 0 100 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.889 106.8 53.6 -62.4 -39.0 18.4 -48.4 1.4 32 26 A K H X S+ 0 0 136 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.898 109.5 47.7 -61.3 -43.0 16.6 -50.9 -0.8 33 27 A Q H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.932 112.5 49.0 -65.1 -45.2 16.2 -48.3 -3.6 34 28 A I H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.921 110.0 51.8 -57.0 -44.9 19.9 -47.3 -3.3 35 29 A D H X S+ 0 0 62 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.821 106.0 55.0 -66.9 -31.5 20.9 -51.0 -3.4 36 30 A Y H X S+ 0 0 58 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.968 111.1 44.8 -60.5 -53.3 18.8 -51.5 -6.6 37 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.920 115.2 45.6 -57.8 -49.1 20.7 -48.6 -8.3 38 32 A T H < S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.0 52.0 -68.3 -28.3 24.1 -49.8 -7.1 39 33 A T H < S+ 0 0 114 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.899 109.8 48.2 -70.8 -41.3 23.3 -53.4 -8.1 40 34 A E H < S- 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.3-123.2 -65.5 -37.2 22.2 -52.3 -11.6 41 35 A G < - 0 0 16 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.374 32.8 -44.8 115.4 168.0 25.4 -50.2 -11.9 42 36 A P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.194 47.5-129.5 -68.0 159.7 26.5 -46.7 -12.6 43 37 A I > - 0 0 12 27,-2.6 3,-0.6 23,-0.2 2,-0.1 -0.966 23.8-134.5-112.7 123.7 25.0 -44.5 -15.3 44 38 A A T 3 S+ 0 0 73 -2,-0.5 27,-0.0 1,-0.2 26,-0.0 -0.476 78.5 16.3 -81.1 148.4 27.5 -42.8 -17.6 45 39 A N T 3 S+ 0 0 144 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.749 85.4 148.5 63.9 31.2 27.3 -39.1 -18.7 46 40 A G < - 0 0 8 -3,-0.6 -1,-0.2 25,-0.2 2,-0.1 -0.349 55.4 -84.5 -85.3 170.2 24.9 -38.0 -16.0 47 41 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.426 28.4-154.7 -73.8 153.8 24.8 -34.6 -14.3 48 42 A K S S+ 0 0 104 1,-0.3 26,-2.8 25,-0.1 2,-0.4 0.588 82.0 43.8-105.4 -12.8 27.1 -34.0 -11.4 49 43 A R E S-c 74 0C 63 24,-0.2 90,-3.1 2,-0.0 91,-1.7 -0.952 75.3-178.3-136.7 113.3 25.1 -31.3 -9.6 50 44 A V E -cd 75 140C 0 24,-2.6 26,-3.0 -2,-0.4 2,-0.5 -0.943 22.3-160.7-127.3 130.8 21.4 -31.8 -9.3 51 45 A L E -cd 76 141C 0 89,-2.8 91,-3.1 -2,-0.4 2,-0.6 -0.938 14.3-168.5-101.7 121.4 18.4 -29.9 -7.9 52 46 A V E -cd 77 142C 0 24,-2.6 26,-2.5 -2,-0.5 2,-0.8 -0.957 6.9-159.5-113.5 116.3 15.4 -32.1 -7.2 53 47 A I E S+cd 78 143C 0 89,-3.3 91,-2.9 -2,-0.6 26,-0.2 -0.848 87.0 23.2 -95.7 107.7 12.2 -30.2 -6.5 54 48 A G S S+ 0 0 11 24,-3.2 3,-0.3 -2,-0.8 -1,-0.3 0.789 82.0 156.2 99.5 54.3 10.0 -32.7 -4.7 55 49 A A + 0 0 0 23,-2.1 24,-0.1 -3,-0.4 9,-0.1 0.399 45.4 73.8 -98.9 1.2 12.8 -34.9 -3.5 56 50 A S S S+ 0 0 4 22,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.663 98.5 13.7 -98.7 -21.1 11.5 -36.7 -0.4 57 51 A T S >> S- 0 0 33 -3,-0.3 4,-1.8 39,-0.1 3,-0.7 -0.932 102.3 -0.3-145.1 168.8 9.1 -39.4 -1.7 58 52 A G H 3> S- 0 0 16 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.068 119.4 -9.1 56.3-139.3 7.9 -41.2 -4.9 59 53 A Y H 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.837 134.6 54.6 -67.9 -34.1 9.5 -40.4 -8.2 60 54 A G H <> S+ 0 0 0 -3,-0.7 4,-2.5 84,-0.3 -1,-0.2 0.918 109.0 48.0 -66.7 -41.9 11.4 -37.4 -7.0 61 55 A L H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.926 111.6 51.8 -60.4 -44.1 13.1 -39.4 -4.3 62 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 109.0 50.1 -59.9 -38.0 13.8 -42.0 -6.9 63 57 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.920 110.2 49.8 -67.9 -40.8 15.4 -39.3 -9.1 64 58 A R H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.925 113.7 45.4 -63.0 -43.7 17.6 -38.1 -6.2 65 59 A I H X>S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.5 0.899 114.3 48.9 -64.9 -40.6 18.7 -41.6 -5.5 66 60 A T H X>S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-1.5 0.952 113.9 45.6 -66.4 -47.1 19.4 -42.3 -9.1 67 61 A A H X5S+ 0 0 0 -4,-3.1 6,-2.7 3,-0.2 4,-0.6 0.938 121.1 38.6 -58.6 -48.1 21.3 -39.1 -9.6 68 62 A A H X5S+ 0 0 1 -4,-2.5 4,-0.6 4,-0.3 -2,-0.2 0.963 129.3 26.0 -72.1 -53.2 23.4 -39.6 -6.5 69 63 A F H <5S+ 0 0 19 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.640 131.9 37.1 -93.1 -14.3 24.0 -43.3 -6.4 70 64 A G H < -K 88 0D 112 3,-1.8 3,-2.7 -2,-0.1 312,-0.0 -0.961 43.6 -60.2-149.1 166.8 8.5 -35.2 17.5 86 80 A E T 3 S+ 0 0 124 -2,-0.3 -80,-0.1 1,-0.3 -81,-0.1 -0.220 124.1 1.8 -48.1 128.3 8.0 -37.1 20.7 87 81 A G T 3 S+ 0 0 56 -82,-0.2 -1,-0.3 1,-0.0 -81,-0.1 0.401 121.9 82.0 75.4 -3.8 4.7 -39.1 20.5 88 82 A K B < S-K 85 0D 89 -3,-2.7 -3,-1.8 -68,-0.0 -68,-0.0 -0.763 71.2-143.3-142.4 93.9 4.2 -38.0 16.9 89 83 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 307,-0.1 -0.169 22.6-128.9 -52.2 142.5 5.9 -39.6 13.9 90 84 A G - 0 0 1 305,-0.5 -6,-0.1 1,-0.2 2,-0.1 -0.124 40.4 -70.1 -79.4-174.5 6.8 -37.3 11.2 91 85 A T >> - 0 0 34 -9,-2.1 4,-1.7 1,-0.1 3,-0.6 -0.397 41.6-113.5 -77.0 157.5 5.9 -37.8 7.5 92 86 A S H 3> S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.894 116.7 59.3 -58.2 -37.3 7.5 -40.6 5.5 93 87 A G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 102.4 53.5 -62.3 -32.9 9.3 -38.0 3.3 94 88 A W H <> S+ 0 0 13 -3,-0.6 4,-2.3 -12,-0.2 -1,-0.2 0.966 113.2 41.6 -62.8 -52.2 11.0 -36.6 6.4 95 89 A Y H X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.852 112.7 54.4 -65.3 -37.0 12.4 -40.0 7.4 96 90 A N H X S+ 0 0 5 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.913 110.6 47.0 -58.1 -44.7 13.2 -40.9 3.7 97 91 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.878 108.3 54.3 -70.0 -37.4 15.3 -37.7 3.5 98 92 A A H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.937 111.9 45.9 -57.7 -45.9 17.0 -38.4 6.8 99 93 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.916 108.8 55.3 -64.1 -43.9 18.0 -41.8 5.4 100 94 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.938 109.0 47.4 -55.2 -46.8 19.1 -40.3 2.1 101 95 A H H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.914 111.8 51.0 -61.9 -42.2 21.5 -37.8 4.0 102 96 A K H X S+ 0 0 97 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.943 115.5 40.7 -59.3 -50.1 22.9 -40.7 6.1 103 97 A F H X S+ 0 0 17 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.842 112.7 54.1 -72.1 -32.7 23.6 -42.9 3.1 104 98 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 -5,-0.3 4,-0.4 0.912 109.0 49.0 -67.0 -41.2 24.9 -40.1 0.9 105 99 A A H ><5S+ 0 0 71 -4,-2.2 3,-1.3 -5,-0.2 -2,-0.2 0.898 106.1 57.0 -63.4 -41.5 27.4 -39.1 3.6 106 100 A Q H 3<5S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 110.6 44.9 -56.6 -31.5 28.6 -42.7 4.0 107 101 A K T 3<5S- 0 0 125 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.442 118.6-110.4 -93.2 -2.7 29.4 -42.7 0.2 108 102 A G T < 5S+ 0 0 68 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.682 71.8 139.9 79.7 19.7 31.1 -39.3 0.3 109 103 A L < - 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