==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-MAR-05 1Z2E . COMPND 2 MOLECULE: ARSENATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.JIN,Y.LI . 139 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.7 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.2 7.6 6.2 1.1 2 2 A E + 0 0 155 2,-0.1 2,-0.3 0, 0.0 29,-0.0 0.298 360.0 110.9-127.8 1.1 7.0 2.7 -0.3 3 3 A N S S- 0 0 61 1,-0.1 29,-0.2 29,-0.0 28,-0.1 -0.620 72.3-120.7 -69.5 135.2 6.7 3.6 -4.0 4 4 A K E -a 32 0A 57 27,-2.5 29,-2.8 -2,-0.3 2,-0.3 -0.165 19.1-148.1 -67.9 174.1 9.9 2.2 -5.8 5 5 A I E -a 33 0A 15 27,-0.3 71,-1.9 69,-0.1 72,-0.8 -0.974 15.4-175.5-141.4 142.6 12.4 4.4 -7.6 6 6 A I E -ab 34 77A 0 27,-2.5 29,-1.3 -2,-0.3 2,-0.4 -0.988 7.3-159.6-145.2 149.7 14.4 3.2 -10.7 7 7 A Y E -ab 35 78A 2 70,-1.8 72,-1.8 -2,-0.3 2,-0.4 -0.990 4.7-159.7-135.7 138.3 17.2 4.7 -12.8 8 8 A F E -ab 36 79A 2 27,-1.1 29,-2.4 -2,-0.4 2,-0.4 -0.979 18.0-166.4-120.2 131.1 18.5 4.0 -16.4 9 9 A L E +ab 37 80A 2 70,-2.8 72,-2.3 -2,-0.4 29,-0.3 -0.933 11.9 165.5-127.9 140.1 22.0 5.2 -17.3 10 10 A C E -a 38 0A 0 27,-1.1 29,-1.7 -2,-0.4 30,-0.3 -0.865 55.9 -89.7-139.3 175.3 24.0 5.6 -20.6 11 11 A T S S+ 0 0 7 -2,-0.3 2,-0.3 1,-0.2 29,-0.2 0.820 121.3 3.4 -55.4 -32.1 27.1 7.1 -22.1 12 12 A G S > S- 0 0 9 27,-0.2 2,-2.2 25,-0.2 3,-0.7 -0.956 80.4-117.8-154.1 143.3 24.7 10.1 -22.7 13 13 A N T 3 S+ 0 0 1 27,-2.4 30,-0.2 -2,-0.3 51,-0.2 -0.357 89.1 92.8 -79.1 57.8 21.1 10.5 -21.7 14 14 A S T 3 S+ 0 0 26 -2,-2.2 31,-2.9 30,-0.1 34,-0.2 0.634 90.4 4.4-127.9 -20.2 19.9 10.7 -25.3 15 15 A C S <> S+ 0 0 3 -3,-0.7 4,-2.7 29,-0.2 5,-0.3 0.415 121.5 26.7-134.3 -93.8 18.9 7.3 -26.7 16 16 A R H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.876 124.6 43.3 -55.4 -50.9 18.8 3.9 -24.8 17 17 A S H > S+ 0 0 0 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.892 114.9 50.5 -67.6 -37.8 18.2 5.3 -21.2 18 18 A Q H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.954 114.2 44.0 -60.5 -52.8 15.5 7.8 -22.5 19 19 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.886 111.4 54.7 -59.9 -42.1 13.6 5.1 -24.4 20 20 A A H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.918 106.2 50.7 -62.9 -43.7 13.9 2.7 -21.4 21 21 A E H X S+ 0 0 18 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.918 108.2 55.6 -56.0 -43.3 12.4 5.2 -19.1 22 22 A G H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.928 113.4 38.4 -54.5 -52.3 9.5 5.6 -21.7 23 23 A W H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 3,-0.5 0.902 113.8 56.1 -65.1 -43.0 8.8 1.8 -21.6 24 24 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 6,-0.3 0.906 100.4 57.8 -63.3 -41.7 9.3 1.5 -17.8 25 25 A K H <>S+ 0 0 50 -4,-2.8 5,-0.5 1,-0.2 4,-0.4 0.873 111.3 45.4 -51.1 -41.2 6.7 4.3 -17.1 26 26 A Q H ><5S+ 0 0 98 -4,-1.0 3,-1.0 -3,-0.5 -2,-0.2 0.990 120.7 33.3 -67.3 -62.0 4.2 2.1 -19.0 27 27 A Y H 3<5S+ 0 0 87 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.866 117.8 52.3 -69.5 -39.1 4.9 -1.4 -17.5 28 28 A L T ><5S- 0 0 4 -4,-2.8 3,-1.9 -5,-0.3 -1,-0.3 0.496 96.7-140.2 -77.8 -5.4 5.9 -0.3 -14.0 29 29 A G T < 5 - 0 0 52 -3,-1.0 -3,-0.1 -4,-0.4 -4,-0.1 0.721 57.3 -73.0 57.1 26.6 2.6 1.7 -13.8 30 30 A D T 3 > - 0 0 34 -31,-2.9 4,-2.2 -2,-0.2 3,-0.7 -0.492 19.1-132.5 -74.5 134.1 17.5 12.1 -29.9 46 46 A P H 3> S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.835 110.5 52.5 -51.9 -34.8 14.8 12.9 -32.5 47 47 A N H 3> S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.844 105.9 53.2 -73.0 -32.7 14.9 9.3 -33.6 48 48 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -34,-0.2 5,-0.2 0.933 109.2 49.5 -64.1 -44.7 14.4 8.1 -30.0 49 49 A V H X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.960 113.9 45.4 -57.4 -51.2 11.3 10.4 -29.9 50 50 A K H X S+ 0 0 123 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.902 110.0 55.1 -58.1 -44.5 10.0 8.9 -33.1 51 51 A A H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.924 111.4 43.5 -58.1 -46.0 10.8 5.4 -31.9 52 52 A M H >X>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.3 0.896 111.6 53.6 -69.4 -37.6 8.6 5.9 -28.8 53 53 A K H ><5S+ 0 0 106 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.830 98.5 65.3 -63.7 -27.6 5.9 7.6 -30.8 54 54 A E T 3<5S+ 0 0 104 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.714 109.8 37.7 -69.4 -16.3 5.9 4.5 -33.1 55 55 A V T <45S- 0 0 55 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.384 123.6-102.2-113.3 0.6 4.6 2.5 -30.0 56 56 A G T <<5S+ 0 0 71 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.814 82.1 122.0 85.6 32.5 2.3 5.3 -28.6 57 57 A I < - 0 0 12 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.3 -0.820 49.4-142.3-118.3 160.2 4.7 6.4 -25.8 58 58 A D + 0 0 52 -2,-0.3 -9,-0.1 -36,-0.2 -8,-0.0 -0.981 29.0 162.1-125.0 141.9 6.2 9.9 -25.1 59 59 A I > + 0 0 0 -2,-0.4 3,-1.7 -10,-0.1 -1,-0.1 0.266 62.0 93.7-129.8 -0.5 9.6 10.8 -23.8 60 60 A S T 3 S+ 0 0 53 1,-0.3 3,-0.5 -11,-0.1 -16,-0.1 0.859 81.5 62.1 -58.6 -33.0 9.5 14.5 -25.0 61 61 A N T 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.622 96.9 59.5 -63.3 -17.8 8.2 15.2 -21.4 62 62 A Q S < S- 0 0 15 -3,-1.7 -1,-0.2 -44,-0.0 3,-0.1 -0.434 76.3-169.3-120.9 52.5 11.5 13.9 -19.8 63 63 A T - 0 0 105 -3,-0.5 -49,-0.1 -2,-0.2 -3,-0.1 -0.148 35.0 -89.3 -48.2 136.1 14.2 16.2 -21.3 64 64 A S + 0 0 24 -51,-0.2 2,-0.3 -50,-0.0 -23,-0.1 0.057 46.0 172.1 -57.1 155.6 17.7 14.9 -20.5 65 65 A D - 0 0 85 -29,-0.2 -27,-0.3 -25,-0.2 -25,-0.1 -0.967 32.8-105.5-153.7 156.3 19.9 15.5 -17.5 66 66 A I - 0 0 79 -2,-0.3 -27,-0.2 -29,-0.2 -30,-0.1 -0.261 62.2 -64.0 -70.6 168.8 23.3 14.2 -16.1 67 67 A I - 0 0 49 -29,-1.2 2,-0.3 -2,-0.1 -1,-0.2 -0.276 55.9-163.0 -56.5 143.0 23.4 11.9 -13.0 68 68 A D >> - 0 0 74 -3,-0.1 4,-2.4 1,-0.1 3,-1.8 -0.988 26.7-126.8-136.6 140.9 22.1 13.5 -9.8 69 69 A S H 3> S+ 0 0 81 -2,-0.3 4,-1.5 1,-0.3 5,-0.1 0.763 103.0 70.7 -55.7 -30.6 22.6 12.4 -6.2 70 70 A D H 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.584 116.4 21.8 -70.0 -11.1 18.8 12.5 -5.4 71 71 A I H X> S+ 0 0 20 -3,-1.8 4,-3.1 3,-0.1 3,-1.7 0.668 114.8 64.0-121.1 -43.8 18.3 9.4 -7.6 72 72 A L H 3< S+ 0 0 50 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.862 116.7 30.6 -56.9 -40.7 21.8 7.7 -7.8 73 73 A N T 3< S+ 0 0 108 -4,-1.5 -1,-0.3 -5,-0.2 -3,-0.1 0.325 126.7 46.3 -96.2 4.8 21.8 7.0 -4.0 74 74 A N T <4 S+ 0 0 69 -3,-1.7 -2,-0.2 -5,-0.1 -1,-0.1 0.613 79.2 107.3-125.6 -26.4 18.0 6.6 -3.8 75 75 A A < - 0 0 5 -4,-3.1 -69,-0.2 1,-0.2 22,-0.2 -0.374 62.6-143.4 -59.4 132.0 16.9 4.4 -6.7 76 76 A D S S+ 0 0 88 -71,-1.9 21,-0.4 1,-0.2 2,-0.3 0.762 90.6 15.5 -67.0 -25.5 15.9 0.9 -5.6 77 77 A L E -b 6 0A 6 -72,-0.8 -70,-1.8 19,-0.1 2,-0.3 -0.986 66.1-162.9-147.8 142.0 17.6 -0.3 -8.8 78 78 A V E -bc 7 98A 2 19,-1.8 21,-1.7 -2,-0.3 2,-0.4 -0.928 10.5-162.8-118.6 147.0 20.0 1.3 -11.3 79 79 A V E -bc 8 99A 2 -72,-1.8 -70,-2.8 -2,-0.3 2,-0.4 -0.998 6.6-156.2-132.6 127.3 20.5 -0.1 -14.8 80 80 A T E -bc 9 100A 0 19,-2.4 21,-2.8 -2,-0.4 -70,-0.2 -0.909 1.9-167.0-100.9 134.4 23.5 0.6 -17.1 81 81 A L E + 0 0 0 -72,-2.3 22,-1.1 -2,-0.4 2,-0.4 0.060 36.2 142.0-108.3 18.2 22.7 0.1 -20.8 82 82 A a E + c 0 103A 0 20,-0.2 20,-0.2 -73,-0.2 22,-0.1 -0.532 15.2 116.1 -68.0 116.0 26.3 0.2 -22.0 83 83 A G + 0 0 37 20,-0.7 21,-0.2 -2,-0.4 -1,-0.1 0.041 54.9 105.7-163.3 29.4 27.1 -2.3 -24.8 84 84 A D S S- 0 0 14 20,-0.2 20,-0.1 19,-0.2 -2,-0.0 -0.297 89.2 -76.6-110.7-177.1 27.9 0.2 -27.6 85 85 A A S S+ 0 0 77 1,-0.2 19,-0.1 20,-0.2 -3,-0.0 0.669 131.4 33.3 -63.8 -20.0 30.9 1.6 -29.5 86 86 A A S S- 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.782 78.3-178.3-104.1 -39.7 32.0 3.9 -26.5 87 87 A D + 0 0 79 1,-0.1 -5,-0.1 -6,-0.1 -2,-0.1 0.779 16.6 158.0 50.2 37.2 30.8 1.6 -23.7 88 88 A K - 0 0 139 3,-0.0 -1,-0.1 1,-0.0 -78,-0.0 0.754 34.7-151.0 -63.9 -24.4 31.9 4.1 -20.9 89 89 A a - 0 0 32 1,-0.1 -79,-0.1 -80,-0.1 -9,-0.1 0.967 20.5-114.1 44.9 87.7 29.5 2.5 -18.3 90 90 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -8,-0.1 -0.094 33.2-105.8 -45.4 135.9 28.5 5.3 -15.9 91 91 A M - 0 0 154 -3,-0.0 -2,-0.0 1,-0.0 -3,-0.0 -0.376 38.7-169.0 -68.6 145.7 29.8 4.9 -12.4 92 92 A T - 0 0 39 -2,-0.1 -19,-0.1 4,-0.0 6,-0.1 -0.873 31.9 -93.1-130.2 158.2 27.2 3.9 -9.7 93 93 A P > - 0 0 27 0, 0.0 3,-1.2 0, 0.0 0, 0.0 -0.588 30.7-137.0 -70.5 138.2 27.3 3.7 -5.8 94 94 A P T 3 S+ 0 0 135 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.728 99.4 66.9 -71.6 -21.2 28.3 0.2 -4.7 95 95 A H T 3 S+ 0 0 179 2,-0.1 2,-0.3 0, 0.0 -22,-0.0 0.711 90.8 77.6 -67.9 -23.1 25.6 0.2 -2.0 96 96 A V S < S- 0 0 23 -3,-1.2 2,-0.1 -24,-0.1 -20,-0.1 -0.687 89.6-107.9-100.0 142.2 22.8 0.2 -4.6 97 97 A K - 0 0 147 -21,-0.4 -19,-1.8 -2,-0.3 2,-0.3 -0.425 42.2-167.2 -62.1 139.2 21.6 -2.8 -6.6 98 98 A R E -c 78 0A 96 -21,-0.2 2,-0.3 -2,-0.1 -19,-0.2 -0.950 15.8-164.6-133.6 151.6 22.6 -2.6 -10.3 99 99 A E E -c 79 0A 66 -21,-1.7 -19,-2.4 -2,-0.3 2,-0.4 -0.890 11.9-146.5-126.9 159.2 21.8 -4.3 -13.6 100 100 A H E +c 80 0A 111 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.971 20.1 170.2-135.1 111.1 23.7 -4.3 -16.9 101 101 A W E - 0 0 18 -21,-2.8 2,-0.2 -2,-0.4 -18,-0.1 -0.669 20.5-172.7-121.4 62.0 21.6 -4.5 -20.1 102 102 A G E + 0 0 34 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.3 -0.497 19.6 140.3 -70.4 133.4 24.3 -3.7 -22.7 103 103 A F E -c 82 0A 42 -22,-1.1 -20,-0.7 -2,-0.2 -19,-0.2 -0.930 56.1 -77.5-159.5 161.2 23.4 -3.2 -26.4 104 104 A D - 0 0 56 -2,-0.3 -20,-0.2 -21,-0.2 5,-0.1 -0.330 45.7-110.1 -68.2 143.2 24.6 -0.8 -29.0 105 105 A D > - 0 0 5 1,-0.1 3,-2.1 3,-0.1 4,-0.3 -0.597 21.0-138.6 -69.2 127.1 23.5 2.8 -29.0 106 106 A P G > S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 14,-0.2 0.805 103.9 61.4 -64.8 -23.7 21.2 3.3 -32.0 107 107 A A G 3 S+ 0 0 28 1,-0.2 9,-0.1 12,-0.1 10,-0.1 0.655 106.7 47.6 -68.7 -14.7 22.8 6.7 -32.7 108 108 A R G < S+ 0 0 82 -3,-2.1 2,-2.5 8,-0.1 -1,-0.2 0.339 74.8 113.7-110.0 3.8 26.1 4.7 -33.2 109 109 A A < - 0 0 7 -3,-1.0 3,-0.5 -4,-0.3 10,-0.2 -0.426 61.8-161.4 -72.2 61.7 24.5 2.1 -35.6 110 110 A Q + 0 0 150 -2,-2.5 -2,-0.1 1,-0.2 3,-0.1 -0.213 53.9 86.0 -59.1 138.7 26.7 3.5 -38.4 111 111 A G S S- 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.314 100.8 -30.4 169.1 -59.4 25.8 2.7 -42.0 112 112 A T > - 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