==== 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 1Z2D . COMPND 2 MOLECULE: ARSENATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.JIN,Y.LI . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 11.5 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 . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 0 189 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0-169.6 1.8 0.4 -0.5 2 2 A E + 0 0 130 1,-0.1 3,-0.1 29,-0.1 30,-0.1 -0.983 360.0 141.2-143.7 147.4 2.5 4.1 -1.6 3 3 A N S S+ 0 0 112 1,-0.8 2,-0.3 -2,-0.3 29,-0.2 0.326 75.8 16.3-156.0 -38.2 4.8 5.4 -4.4 4 4 A K - 0 0 50 27,-0.5 29,-1.0 26,-0.2 -1,-0.8 -0.890 63.4-146.3-134.3 167.6 2.9 8.4 -5.9 5 5 A I E -a 33 0A 21 -2,-0.3 71,-2.2 27,-0.2 72,-1.4 -0.996 7.8-167.4-136.4 132.9 -0.0 10.5 -4.7 6 6 A I E -ab 34 77A 0 27,-2.5 29,-1.9 -2,-0.4 2,-0.5 -0.996 7.4-165.3-124.8 127.9 -2.7 12.0 -7.1 7 7 A Y E -ab 35 78A 4 70,-2.1 72,-1.9 -2,-0.4 29,-0.2 -0.945 7.7-149.7-125.6 104.1 -5.0 14.7 -5.5 8 8 A F E -ab 36 79A 0 27,-2.3 29,-2.5 -2,-0.5 2,-0.3 -0.517 16.4-173.4 -72.8 147.5 -8.2 15.7 -7.3 9 9 A L E +ab 37 80A 0 70,-2.4 72,-2.6 27,-0.2 73,-0.4 -0.989 13.3 151.3-147.5 126.4 -9.4 19.3 -6.8 10 10 A C E -a 38 0A 0 27,-0.5 29,-2.2 -2,-0.3 30,-0.3 -0.907 61.3 -89.0-146.9 175.6 -12.6 21.0 -8.0 11 11 A T S S+ 0 0 38 -2,-0.3 29,-0.3 1,-0.3 2,-0.3 0.680 123.0 20.2 -67.7 -11.8 -15.0 23.8 -6.9 12 12 A G >>> - 0 0 9 27,-0.2 3,-0.8 25,-0.2 4,-0.7 -0.888 67.4-157.5-153.2 121.1 -16.8 21.1 -4.9 13 13 A N T 34>S+ 0 0 0 27,-2.7 5,-1.8 -2,-0.3 4,-0.4 0.919 83.3 80.0 -57.6 -45.2 -15.2 17.8 -3.9 14 14 A S T 345S+ 0 0 9 26,-0.2 31,-1.4 3,-0.2 34,-0.2 0.566 107.0 15.0 -40.1 -34.7 -18.6 16.1 -3.5 15 15 A C T <>5S+ 0 0 0 -3,-0.8 4,-1.7 29,-0.1 5,-0.2 0.807 129.2 28.8-112.8 -72.5 -19.2 15.5 -7.3 16 16 A R H X5S+ 0 0 7 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.934 121.3 46.1 -69.4 -48.3 -16.3 15.8 -9.7 17 17 A S H >X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 3,-1.1 0.917 110.6 56.3 -65.2 -38.6 -12.2 6.1 -12.3 24 24 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.885 99.6 58.7 -63.5 -36.1 -8.5 6.7 -11.4 25 25 A K H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.781 111.7 42.7 -61.5 -26.7 -8.4 3.7 -9.1 26 26 A Q H << S+ 0 0 110 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.891 120.2 39.6 -82.5 -46.1 -9.4 1.5 -12.1 27 27 A Y H < S+ 0 0 95 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.749 124.4 35.1 -80.9 -26.3 -7.1 3.2 -14.7 28 28 A L S < S- 0 0 29 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.1 0.212 79.8-149.9 -99.1-140.3 -4.1 3.6 -12.3 29 29 A G > - 0 0 34 -2,-0.0 3,-2.1 0, 0.0 -3,-0.1 -0.961 44.0 -55.1-179.6-174.6 -3.0 1.1 -9.6 30 30 A D T 3 S+ 0 0 92 1,-0.3 -26,-0.2 -2,-0.3 -27,-0.1 0.635 113.2 84.6 -63.9 -13.9 -1.3 0.8 -6.1 31 31 A E T 3 S+ 0 0 113 -28,-0.1 -27,-0.5 -29,-0.1 -1,-0.3 0.588 100.9 38.4 -56.5 -13.5 1.7 2.5 -7.7 32 32 A W S < S- 0 0 24 -3,-2.1 2,-0.4 -29,-0.2 -27,-0.2 -0.898 76.7-136.0-133.2 162.5 -0.3 5.7 -6.7 33 33 A K E -a 5 0A 51 -29,-1.0 -27,-2.5 -2,-0.3 2,-0.5 -0.972 25.3-152.3-118.4 139.2 -2.6 6.7 -3.8 34 34 A V E +a 6 0A 17 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.965 25.2 151.1-125.0 118.7 -5.8 8.5 -4.9 35 35 A Y E -a 7 0A 75 -29,-1.9 -27,-2.3 -2,-0.5 2,-0.3 -0.906 28.4-132.3-138.7 173.6 -7.7 11.0 -2.9 36 36 A S E +a 8 0A 7 27,-0.3 2,-0.2 -2,-0.3 -27,-0.2 -0.961 21.4 166.3-132.2 144.2 -10.0 14.0 -3.5 37 37 A A E -a 9 0A 0 -29,-2.5 -27,-0.5 -2,-0.3 2,-0.3 -0.773 8.9-174.0-137.0 179.5 -10.3 17.6 -2.2 38 38 A G E -a 10 0A 0 -29,-0.2 29,-2.6 -2,-0.2 -27,-0.2 -0.962 48.1 -93.0-163.8 170.3 -12.2 20.7 -3.4 39 39 A I S S- 0 0 59 -29,-2.2 2,-0.3 -2,-0.3 -28,-0.2 0.905 115.2 -8.3 -54.7 -41.6 -12.7 24.5 -2.7 40 40 A E - 0 0 116 -30,-0.3 -27,-2.7 -29,-0.3 2,-0.3 -0.864 68.2-149.1-142.6 179.5 -15.5 23.1 -0.5 41 41 A A + 0 0 30 -2,-0.3 25,-0.1 -29,-0.2 3,-0.1 -0.941 15.9 178.2-144.8 161.1 -17.3 19.8 0.3 42 42 A H - 0 0 180 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.480 65.4 -66.4-135.6 -36.2 -20.9 18.9 1.4 43 43 A G - 0 0 24 22,-0.1 2,-1.0 20,-0.0 -1,-0.4 -0.914 69.7 -48.7 166.9 178.6 -20.6 15.1 1.5 44 44 A L S S- 0 0 45 -2,-0.3 -29,-0.1 18,-0.1 -30,-0.1 -0.657 71.8-128.4 -67.0 100.8 -20.1 11.9 -0.7 45 45 A N > - 0 0 34 -31,-1.4 4,-2.0 -2,-1.0 3,-0.3 -0.421 2.1-135.4 -63.9 127.9 -22.8 13.0 -3.2 46 46 A P H > S+ 0 0 103 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.823 107.9 55.7 -49.8 -35.2 -25.4 10.2 -3.9 47 47 A N H > S+ 0 0 12 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.962 105.1 50.3 -59.6 -51.6 -25.0 11.0 -7.6 48 48 A A H > S+ 0 0 0 -3,-0.3 4,-1.6 -34,-0.2 5,-0.2 0.894 114.5 46.0 -58.1 -40.4 -21.3 10.4 -7.5 49 49 A V H X S+ 0 0 21 -4,-2.0 4,-3.0 2,-0.2 10,-0.4 0.990 117.1 40.7 -61.8 -61.7 -21.9 7.1 -5.7 50 50 A K H X S+ 0 0 119 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.881 112.5 55.2 -63.3 -40.0 -24.7 5.9 -8.1 51 51 A A H < S+ 0 0 0 -4,-3.3 4,-0.4 -5,-0.2 -1,-0.2 0.906 117.2 36.3 -57.2 -46.1 -23.0 7.1 -11.3 52 52 A M H ><>S+ 0 0 0 -4,-1.6 5,-2.4 -5,-0.3 3,-1.3 0.896 115.0 55.5 -72.7 -40.2 -19.8 5.1 -10.4 53 53 A K H ><5S+ 0 0 105 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.838 99.7 59.9 -68.3 -30.5 -21.7 2.2 -8.9 54 54 A E T 3<5S+ 0 0 133 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.724 106.1 49.2 -66.5 -21.2 -23.7 1.8 -12.1 55 55 A V T < 5S- 0 0 58 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.488 127.9-104.7 -89.9 -6.3 -20.3 1.2 -13.8 56 56 A G T < 5S+ 0 0 67 -3,-1.1 2,-0.7 -4,-0.4 -3,-0.2 0.668 85.2 127.2 87.6 20.0 -19.5 -1.4 -11.0 57 57 A I < - 0 0 17 -5,-2.4 2,-1.6 -8,-0.1 -1,-0.2 -0.904 49.5-155.6-111.9 94.1 -17.1 1.1 -9.2 58 58 A D > + 0 0 95 -2,-0.7 3,-0.7 1,-0.2 -9,-0.1 -0.575 25.4 165.5 -79.6 84.8 -18.4 1.1 -5.7 59 59 A I G > + 0 0 2 -2,-1.6 3,-2.2 -10,-0.4 -1,-0.2 0.337 44.8 109.0 -79.2 7.1 -17.2 4.5 -4.4 60 60 A S G 3 S+ 0 0 47 1,-0.3 -1,-0.2 -11,-0.1 -16,-0.1 0.761 73.8 59.9 -56.1 -25.2 -19.6 4.3 -1.3 61 61 A N G < S+ 0 0 149 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.1 0.658 90.0 92.5 -74.6 -20.3 -16.5 3.8 0.8 62 62 A Q < - 0 0 13 -3,-2.2 2,-0.3 -44,-0.1 -18,-0.1 -0.165 58.3-159.5 -70.8 169.8 -15.0 7.2 -0.2 63 63 A T - 0 0 112 -20,-0.1 -27,-0.3 -27,-0.1 2,-0.2 -0.970 13.9-120.3-145.8 155.4 -15.5 10.5 1.7 64 64 A S + 0 0 33 -2,-0.3 2,-0.3 -29,-0.1 -20,-0.1 -0.518 28.3 171.8 -89.7 163.6 -15.2 14.2 0.8 65 65 A D - 0 0 87 -2,-0.2 2,-0.2 -25,-0.2 -27,-0.2 -0.941 33.5-110.7-158.1 158.8 -12.9 16.9 2.4 66 66 A I - 0 0 90 -2,-0.3 -27,-0.2 -29,-0.2 -26,-0.1 -0.559 61.4 -66.7 -88.8 161.6 -12.0 20.5 1.6 67 67 A I - 0 0 24 -29,-2.6 2,-0.4 -2,-0.2 -1,-0.2 -0.152 45.7-165.9 -57.2 141.7 -8.5 21.2 0.3 68 68 A D >> - 0 0 71 1,-0.1 4,-1.9 -3,-0.1 3,-1.8 -0.981 14.8-153.5-130.7 112.8 -5.5 20.6 2.6 69 69 A S H 3> S+ 0 0 39 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.757 90.6 74.3 -55.2 -26.9 -2.2 22.1 1.5 70 70 A D H 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.728 108.5 29.3 -65.4 -23.0 -0.5 19.4 3.6 71 71 A I H X> S+ 0 0 52 -3,-1.8 3,-1.8 2,-0.1 4,-1.3 0.820 115.8 60.3-100.4 -42.4 -1.3 16.7 1.0 72 72 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.3 -2,-0.2 0.903 104.0 50.6 -48.1 -51.7 -1.4 19.1 -2.1 73 73 A N T 3< S+ 0 0 35 -4,-2.6 -1,-0.3 1,-0.2 22,-0.2 0.587 115.5 43.3 -67.2 -13.6 2.3 20.0 -1.6 74 74 A N T <4 S+ 0 0 94 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.510 89.0 108.3-106.8 -14.7 3.3 16.3 -1.3 75 75 A A << - 0 0 0 -4,-1.3 -69,-0.2 -3,-0.9 3,-0.1 -0.307 67.8-139.1 -63.4 148.9 1.3 15.0 -4.2 76 76 A D S S+ 0 0 48 -71,-2.2 21,-0.5 1,-0.3 2,-0.3 0.844 91.0 9.0 -67.3 -31.6 3.1 13.9 -7.4 77 77 A L E -b 6 0A 2 -72,-1.4 -70,-2.1 19,-0.3 2,-0.4 -0.998 59.1-155.5-152.7 144.4 0.1 15.6 -9.2 78 78 A V E -bc 7 98A 0 19,-2.1 21,-1.7 -2,-0.3 2,-0.6 -0.970 16.0-153.3-119.0 135.6 -2.9 17.8 -8.5 79 79 A V E -bc 8 99A 6 -72,-1.9 -70,-2.4 -2,-0.4 2,-1.1 -0.944 1.3-157.2-117.7 108.2 -5.7 17.6 -11.1 80 80 A T E -bc 9 100A 3 19,-3.0 21,-2.4 -2,-0.6 -70,-0.2 -0.747 8.1-167.3 -86.3 93.2 -7.8 20.8 -11.2 81 81 A L S S+ 0 0 1 -72,-2.6 22,-2.9 -2,-1.1 2,-0.3 0.639 72.8 30.3 -68.0 -13.3 -11.0 19.3 -12.6 82 82 A C S >> S- 0 0 21 -73,-0.4 3,-1.0 20,-0.3 4,-0.8 -0.991 79.3-127.9-144.3 145.9 -12.4 22.7 -13.4 83 83 A G G >4 S+ 0 0 28 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 0.842 108.3 57.3 -65.8 -34.8 -10.6 25.9 -14.3 84 84 A D G >4 S+ 0 0 134 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.800 105.8 53.7 -65.2 -25.8 -12.3 28.1 -11.7 85 85 A A G X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.2 -1,-0.3 0.749 88.2 79.6 -74.3 -26.5 -10.9 25.6 -9.1 86 86 A A G << S+ 0 0 23 -3,-0.8 -1,-0.2 -4,-0.8 3,-0.2 0.698 78.8 69.2 -64.5 -19.7 -7.3 25.9 -10.4 87 87 A D G < S+ 0 0 150 -3,-0.6 2,-1.9 -4,-0.4 -1,-0.3 0.839 84.2 75.9 -58.8 -33.7 -6.9 29.2 -8.4 88 88 A K < + 0 0 96 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.1 -0.378 57.7 117.3 -85.5 60.5 -7.0 27.1 -5.2 89 89 A C + 0 0 19 -2,-1.9 3,-0.3 -3,-0.2 -1,-0.1 -0.714 35.4 175.1-121.0 74.8 -3.5 25.7 -5.4 90 90 A P S S+ 0 0 72 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.755 71.3 1.0 -59.1 -29.1 -1.9 27.2 -2.2 91 91 A M + 0 0 96 2,-0.1 0, 0.0 -22,-0.0 0, 0.0 -0.771 57.6 160.9-162.7 115.9 1.4 25.3 -2.7 92 92 A T - 0 0 33 -3,-0.3 -19,-0.1 -2,-0.2 6,-0.1 -0.722 24.0-171.5-132.8 77.6 2.6 22.9 -5.5 93 93 A P > - 0 0 46 0, 0.0 3,-2.8 0, 0.0 -2,-0.1 -0.086 49.3 -81.7 -54.5 171.8 6.5 22.8 -5.3 94 94 A P T 3 S+ 0 0 134 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.658 128.9 72.8 -53.7 -17.8 8.6 20.9 -8.0 95 95 A H T 3 S+ 0 0 147 -22,-0.2 2,-0.3 2,-0.0 -21,-0.0 0.601 104.1 48.3 -63.5 -13.2 7.7 17.7 -6.1 96 96 A V < - 0 0 14 -3,-2.8 2,-0.3 -4,-0.0 -19,-0.3 -0.787 66.8-164.8-127.2 159.4 4.2 18.3 -7.6 97 97 A K - 0 0 89 -21,-0.5 -19,-2.1 -2,-0.3 2,-0.3 -0.907 15.9-133.4-138.5 167.7 2.8 19.0 -11.0 98 98 A R E -c 78 0A 138 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.931 12.8-169.0-127.4 153.1 -0.7 20.3 -12.1 99 99 A E E -c 79 0A 46 -21,-1.7 -19,-3.0 -2,-0.3 2,-0.4 -0.925 13.8-149.6-135.2 156.4 -3.2 19.3 -14.7 100 100 A H E +c 80 0A 106 -2,-0.3 2,-0.2 -21,-0.2 -19,-0.2 -0.995 21.1 158.7-141.5 135.5 -6.4 21.2 -15.8 101 101 A W - 0 0 39 -21,-2.4 -18,-0.2 -2,-0.4 -2,-0.0 -0.653 36.0-124.8-138.0-170.0 -9.9 20.5 -17.1 102 102 A G + 0 0 62 -20,-0.3 2,-0.7 -2,-0.2 -20,-0.3 -0.207 37.8 163.4-140.9 40.3 -13.3 22.3 -17.2 103 103 A F - 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