==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 07-JAN-10 3LB8 . COMPND 2 MOLECULE: PUTIDAREDOXIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.F.SEVRIOUKOVA . 1043 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 108 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.4 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 8 1 1 2 4 0 0 0 6 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 8 6 3 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 . 10 2 11 4 3 2 3 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 . 2 4 2 6 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 2 A N > 0 0 136 0, 0.0 3,-1.5 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 173.9 -2.5 11.9 -21.1 2 3 A A T 3 + 0 0 70 1,-0.3 3,-0.0 26,-0.1 25,-0.0 0.174 360.0 47.4 -82.6 20.7 -2.9 14.6 -18.4 3 4 A N T 3 S+ 0 0 141 26,-0.1 2,-0.4 27,-0.1 -1,-0.3 -0.323 90.7 116.6-149.0 33.4 -6.3 13.0 -18.0 4 5 A D < - 0 0 29 -3,-1.5 26,-0.6 2,-0.0 2,-0.5 -0.971 56.6-139.4-116.4 129.0 -4.9 9.3 -17.8 5 6 A N E -a 30 0A 46 -2,-0.4 98,-3.3 24,-0.2 99,-1.9 -0.780 14.4-167.6 -92.0 126.8 -5.3 7.2 -14.7 6 7 A V E -ab 31 104A 1 24,-2.4 26,-3.1 -2,-0.5 2,-0.5 -0.964 2.7-164.7-116.2 123.6 -2.5 5.0 -13.6 7 8 A V E -ab 32 105A 0 97,-2.4 99,-2.7 -2,-0.5 2,-0.6 -0.930 1.2-165.9-111.7 125.6 -3.1 2.3 -10.9 8 9 A I E -ab 33 106A 0 24,-3.4 26,-3.2 -2,-0.5 2,-0.7 -0.943 7.4-154.9-113.3 115.6 -0.2 0.7 -9.1 9 10 A V E +ab 34 107A 10 97,-2.4 99,-2.4 -2,-0.6 26,-0.2 -0.818 65.6 34.4 -93.4 115.0 -1.1 -2.5 -7.0 10 11 A G - 0 0 14 24,-3.4 25,-0.2 -2,-0.7 24,-0.1 0.195 62.3-141.7 112.8 126.5 1.4 -3.0 -4.2 11 12 A T + 0 0 16 4,-0.2 24,-0.1 98,-0.1 2,-0.1 -0.293 60.2 114.0-115.4 48.6 3.3 -0.5 -2.1 12 13 A G S > S- 0 0 35 96,-0.4 4,-2.0 29,-0.1 5,-0.4 -0.149 91.4 -70.1 -96.1-161.7 6.7 -2.1 -1.7 13 14 A L H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.959 133.6 50.8 -58.2 -51.0 9.9 -0.7 -3.1 14 15 A A H > S+ 0 0 12 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.927 113.1 43.3 -52.9 -53.9 8.8 -1.5 -6.7 15 16 A G H >> S+ 0 0 0 93,-0.4 4,-1.8 1,-0.2 3,-0.8 0.961 116.2 43.0 -61.8 -55.8 5.4 0.2 -6.5 16 17 A V H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.827 111.8 60.2 -62.8 -24.5 6.2 3.4 -4.7 17 18 A E H 3X S+ 0 0 21 -4,-1.9 4,-1.4 -5,-0.4 -1,-0.2 0.817 105.5 43.5 -74.6 -29.3 9.3 3.6 -7.0 18 19 A V H <>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 3,-0.7 0.932 109.9 46.6 -61.7 -45.6 6.5 8.3 -12.9 23 24 A R H ><5S+ 0 0 41 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.772 110.7 54.1 -68.9 -25.2 6.0 11.8 -11.5 24 25 A A H 3<5S+ 0 0 43 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.640 103.0 55.7 -83.7 -15.8 9.6 12.6 -12.0 25 26 A S T <<5S- 0 0 47 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.370 128.3 -89.9 -97.5 5.0 9.6 11.7 -15.7 26 27 A G T < 5 + 0 0 44 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.1 0.295 68.0 157.8 110.0 -11.8 6.7 14.1 -16.5 27 28 A W < + 0 0 24 -5,-1.8 -1,-0.3 -6,-0.2 -25,-0.1 -0.206 11.5 176.5 -49.0 134.3 3.5 12.0 -15.9 28 29 A E + 0 0 145 -27,-0.2 -1,-0.1 2,-0.1 -26,-0.1 0.521 45.1 93.8-119.8 -12.1 0.6 14.3 -15.3 29 30 A G S S- 0 0 2 -28,-0.2 -24,-0.2 1,-0.2 2,-0.1 0.006 90.2 -66.0 -70.2-174.9 -2.4 12.0 -15.0 30 31 A N E -a 5 0A 82 -26,-0.6 -24,-2.4 44,-0.1 2,-0.5 -0.457 44.9-155.6 -75.2 147.9 -3.7 10.6 -11.8 31 32 A I E -ac 6 74A 1 42,-0.5 44,-2.0 -26,-0.2 2,-0.5 -0.943 8.5-172.1-129.3 110.7 -1.5 8.1 -9.8 32 33 A R E -ac 7 75A 75 -26,-3.1 -24,-3.4 -2,-0.5 2,-0.6 -0.904 5.8-166.5-107.4 122.9 -3.1 5.6 -7.5 33 34 A L E -ac 8 76A 0 42,-3.3 44,-3.6 -2,-0.5 2,-0.5 -0.935 12.2-176.9-106.0 111.6 -1.0 3.5 -5.2 34 35 A V E +ac 9 77A 0 -26,-3.2 -24,-3.4 -2,-0.6 2,-0.3 -0.945 10.4 159.5-115.0 119.5 -3.1 0.7 -3.7 35 36 A G - 0 0 4 42,-1.8 45,-2.5 -2,-0.5 -2,-0.0 -0.974 42.1-140.3-137.8 152.5 -1.5 -1.7 -1.2 36 37 A D S S+ 0 0 104 -2,-0.3 45,-0.1 43,-0.3 -1,-0.1 0.699 77.6 98.0 -84.1 -16.4 -2.7 -4.1 1.4 37 38 A A - 0 0 37 43,-0.2 42,-2.7 1,-0.1 43,-0.4 -0.359 59.7-159.2 -65.9 152.7 0.1 -3.2 3.8 38 39 A T + 0 0 81 40,-0.2 -1,-0.1 41,-0.2 40,-0.1 0.522 62.2 87.5-110.0 -12.1 -1.1 -0.6 6.4 39 40 A V S S- 0 0 33 1,-0.1 40,-0.1 527,-0.1 3,-0.1 -0.386 93.6 -85.9 -85.2 166.0 2.3 0.7 7.4 40 41 A I - 0 0 49 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.528 61.2 -91.1 -70.1 131.8 4.2 3.5 5.7 41 42 A P + 0 0 4 0, 0.0 22,-2.3 0, 0.0 23,-0.6 -0.178 61.1 174.8 -46.3 130.0 6.2 2.1 2.8 42 43 A H B -F 62 0B 28 20,-0.3 20,-0.2 21,-0.1 -29,-0.1 -0.897 32.7 -90.4-137.8 166.5 9.7 1.2 4.1 43 44 A H - 0 0 64 18,-2.5 4,-0.1 -2,-0.3 20,-0.0 -0.344 24.1-156.9 -72.9 155.6 12.9 -0.5 3.0 44 45 A L S > S+ 0 0 71 2,-0.1 3,-3.1 1,-0.1 4,-0.3 0.836 77.4 73.4-103.2 -44.5 13.4 -4.3 3.5 45 46 A P G > S+ 0 0 27 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.806 93.4 58.7 -42.1 -37.7 17.2 -4.8 3.6 46 47 A P G > >S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 6,-1.3 0.791 86.3 78.1 -67.6 -20.4 17.4 -3.3 7.1 47 48 A L G < 5S+ 0 0 6 -3,-3.1 87,-0.1 1,-0.3 -3,-0.1 0.620 105.2 32.6 -64.1 -10.2 15.0 -5.9 8.4 48 49 A S G < 5S+ 0 0 8 -3,-1.4 -1,-0.3 -4,-0.3 118,-0.1 0.218 130.0 33.7-126.2 12.8 17.8 -8.5 8.5 49 50 A K T X>5S- 0 0 31 -3,-1.7 4,-2.6 -4,-0.2 3,-0.6 -0.007 122.8 -3.3-129.5-124.2 20.6 -6.0 9.3 50 51 A A T 34>S+ 0 0 44 1,-0.3 5,-3.5 2,-0.2 6,-0.4 0.756 131.2 49.1 -49.4 -36.7 20.8 -2.8 11.3 51 52 A Y T >4 S+ 0 0 11 418,-0.5 3,-1.1 1,-0.2 4,-0.3 0.860 114.1 57.0 -61.4 -33.3 11.8 2.8 12.5 59 60 A E G > S+ 0 0 67 415,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.813 94.5 63.2 -69.0 -32.0 11.6 6.2 10.8 60 61 A S G 3 S+ 0 0 31 -3,-0.4 -1,-0.3 414,-0.3 -2,-0.2 0.622 93.5 67.4 -68.4 -8.8 14.9 5.7 9.0 61 62 A L G < S+ 0 0 2 -3,-1.1 -18,-2.5 -4,-0.4 -1,-0.2 0.710 72.1 116.8 -82.7 -20.8 13.1 2.8 7.2 62 63 A Y B < -F 42 0B 67 -3,-1.3 -20,-0.3 -4,-0.3 3,-0.2 -0.200 54.7-156.2 -51.2 129.3 10.7 5.1 5.4 63 64 A L S S+ 0 0 2 -22,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.929 85.8 0.8 -70.4 -44.6 11.1 5.0 1.6 64 65 A R S S- 0 0 23 -23,-0.6 -1,-0.4 804,-0.1 804,-0.2 -0.989 91.6 -95.7-142.0 143.4 9.6 8.5 1.5 65 66 A T > - 0 0 26 802,-4.3 3,-2.5 -2,-0.3 4,-0.5 -0.354 44.8-111.2 -58.4 140.1 8.4 10.8 4.2 66 67 A P T 3 S+ 0 0 67 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.570 116.0 54.7 -52.4 -9.5 4.6 10.2 4.6 67 68 A D T 3> S+ 0 0 99 1,-0.1 4,-1.6 2,-0.1 3,-0.2 0.561 86.2 77.5-102.2 -9.4 4.0 13.8 3.2 68 69 A A H <> S+ 0 0 2 -3,-2.5 4,-1.3 799,-0.2 -1,-0.1 0.764 87.1 63.8 -69.5 -23.2 6.0 13.4 0.0 69 70 A Y H 4>S+ 0 0 7 -4,-0.5 5,-3.5 2,-0.2 -1,-0.2 0.923 104.9 41.9 -67.0 -45.6 3.1 11.4 -1.5 70 71 A A H >45S+ 0 0 74 -4,-0.3 3,-1.4 3,-0.2 -1,-0.2 0.899 110.8 59.1 -67.6 -38.9 0.6 14.3 -1.3 71 72 A A H 3<5S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 111.2 39.6 -58.6 -34.0 3.3 16.7 -2.5 72 73 A Q T 3<5S- 0 0 33 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.320 116.8-115.3 -98.6 6.7 3.8 14.7 -5.7 73 74 A N T < 5 + 0 0 116 -3,-1.4 2,-0.6 1,-0.2 -42,-0.5 0.909 63.4 151.7 58.4 46.9 0.0 14.1 -6.0 74 75 A I E < -c 31 0A 4 -5,-3.5 2,-0.6 -6,-0.1 -1,-0.2 -0.937 41.2-140.5-110.0 107.5 0.4 10.4 -5.5 75 76 A Q E -c 32 0A 84 -44,-2.0 -42,-3.3 -2,-0.6 2,-0.8 -0.589 15.0-158.9 -73.1 113.6 -2.8 9.0 -3.8 76 77 A L E -c 33 0A 68 -2,-0.6 2,-0.9 -44,-0.2 -42,-0.2 -0.836 8.9-173.6 -99.5 110.2 -1.7 6.3 -1.3 77 78 A L E > -c 34 0A 32 -44,-3.6 -42,-1.8 -2,-0.8 3,-0.5 -0.728 15.5-179.7-104.2 84.8 -4.4 3.9 -0.5 78 79 A G T 3 + 0 0 28 -2,-0.9 -40,-0.2 1,-0.2 -42,-0.1 -0.006 57.4 32.8 -75.7-176.5 -3.2 1.7 2.3 79 80 A G T 3 S+ 0 0 46 -42,-2.7 2,-0.5 1,-0.1 -43,-0.3 0.670 93.6 123.6 42.4 22.3 -4.8 -1.2 4.2 80 81 A T < - 0 0 10 -45,-2.5 2,-0.4 -3,-0.5 -43,-0.2 -0.937 48.4-155.5-118.5 131.3 -6.5 -2.0 0.9 81 82 A Q - 0 0 99 -2,-0.5 14,-1.6 -45,-0.1 2,-0.7 -0.845 11.1-141.3-106.2 135.8 -6.5 -5.2 -1.0 82 83 A V E -G 94 0C 11 -2,-0.4 12,-0.3 12,-0.2 171,-0.1 -0.833 19.9-179.9 -92.4 120.7 -7.1 -5.6 -4.7 83 84 A T E + 0 0 67 10,-2.1 2,-0.3 -2,-0.7 11,-0.2 0.737 58.0 0.4 -94.0 -25.6 -9.1 -8.8 -5.3 84 85 A A E -G 93 0C 34 9,-1.5 9,-2.0 2,-0.0 2,-0.5 -0.990 54.1-130.9-158.7 166.6 -9.5 -8.9 -9.1 85 86 A I E -G 92 0C 12 -2,-0.3 2,-1.1 168,-0.3 7,-0.2 -0.977 9.6-159.6-125.4 117.7 -8.8 -7.2 -12.4 86 87 A N E >> -G 91 0C 66 5,-3.4 5,-2.0 -2,-0.5 4,-1.1 -0.794 13.5-175.7 -97.4 96.1 -11.6 -6.6 -15.0 87 88 A R T 45S+ 0 0 78 -2,-1.1 -1,-0.2 3,-0.2 5,-0.0 0.922 78.1 42.8 -58.6 -50.8 -9.5 -6.2 -18.1 88 89 A D T 45S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.920 119.0 43.7 -66.0 -42.4 -12.3 -5.4 -20.5 89 90 A R T 45S- 0 0 162 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.677 109.2-136.0 -74.0 -14.2 -14.0 -3.0 -18.1 90 91 A Q T <5 + 0 0 68 -4,-1.1 12,-2.2 1,-0.2 2,-0.3 0.889 60.0 110.3 59.8 49.0 -10.5 -1.8 -17.4 91 92 A Q E < -GH 86 101C 19 -5,-2.0 -5,-3.4 10,-0.2 2,-0.4 -0.973 60.3-130.4-147.5 159.7 -10.7 -1.6 -13.7 92 93 A V E -GH 85 100C 0 8,-2.3 8,-3.6 -2,-0.3 2,-0.4 -0.935 22.2-143.0-112.3 135.9 -9.5 -3.2 -10.5 93 94 A I E -GH 84 99C 58 -9,-2.0 -10,-2.1 -2,-0.4 -9,-1.5 -0.840 12.0-150.5-102.4 134.2 -11.9 -4.3 -7.8 94 95 A L E > -G 82 0C 2 4,-3.4 3,-0.7 -2,-0.4 -12,-0.2 -0.402 26.7-113.5 -93.0 172.6 -11.0 -3.9 -4.1 95 96 A S T 3 S+ 0 0 79 -14,-1.6 2,-0.2 1,-0.2 -13,-0.1 0.840 114.1 66.1 -74.5 -33.4 -12.3 -6.0 -1.2 96 97 A D T 3 S- 0 0 81 -15,-0.3 2,-1.1 1,-0.1 -1,-0.2 0.056 122.4-105.4 -77.9 30.1 -14.1 -3.0 0.2 97 98 A G S < S+ 0 0 57 -3,-0.7 -1,-0.1 -2,-0.2 -2,-0.1 -0.134 80.1 127.5 79.2 -41.6 -16.3 -3.2 -2.8 98 99 A R - 0 0 116 -2,-1.1 -4,-3.4 -5,-0.1 2,-0.4 -0.019 47.1-148.4 -49.8 151.4 -14.9 -0.3 -4.7 99 100 A A E -H 93 0C 45 -6,-0.3 2,-0.5 -3,-0.1 -6,-0.3 -0.995 9.0-148.1-124.8 126.8 -13.7 -0.6 -8.3 100 101 A L E -H 92 0C 13 -8,-3.6 -8,-2.3 -2,-0.4 2,-0.3 -0.847 11.8-136.0 -99.1 131.1 -10.8 1.7 -9.5 101 102 A D E -H 91 0C 98 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.627 27.5-175.8 -83.5 143.4 -10.7 2.8 -13.1 102 103 A Y - 0 0 4 -12,-2.2 -96,-0.2 -2,-0.3 3,-0.2 -0.992 34.0-177.5-142.2 149.7 -7.4 2.6 -14.9 103 104 A D S S+ 0 0 49 -98,-3.3 2,-0.4 1,-0.5 -97,-0.2 0.630 93.1 25.2-108.6 -30.3 -5.9 3.5 -18.2 104 105 A R E S-b 6 0A 81 -99,-1.9 -97,-2.4 -14,-0.1 -1,-0.5 -0.998 75.6-162.9-137.0 126.5 -2.5 2.0 -17.3 105 106 A L E -bd 7 278A 0 172,-3.1 174,-3.2 -2,-0.4 2,-0.5 -0.953 4.1-168.2-120.6 133.8 -2.1 -0.7 -14.7 106 107 A V E -bd 8 279A 0 -99,-2.7 -97,-2.4 -2,-0.4 2,-0.8 -0.961 10.1-153.3-121.9 116.4 1.2 -1.8 -12.9 107 108 A L E +bd 9 280A 0 172,-3.5 174,-2.1 -2,-0.5 -97,-0.1 -0.806 26.7 159.8 -91.1 109.5 1.3 -5.0 -10.9 108 109 A A + 0 0 6 -99,-2.4 -96,-0.4 -2,-0.8 -93,-0.4 -0.348 19.8 142.8-122.2 45.7 4.0 -4.6 -8.2 109 110 A T - 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