==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-08 3EQE . COMPND 2 MOLECULE: PUTATIVE CYSTEIN DEOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.M.VOROBIEV,M.SU,J.SEETHARAMAN,J.BENACH,F.FOROUHAR, . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 33.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 1 1 2 2 3 4 0 1 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 0 2 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 -1 A S 0 0 141 0, 0.0 2,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.5 -64.8 -23.0 152.7 2 0 A H - 0 0 102 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.673 360.0-141.8 -90.8 83.3 -62.2 -20.8 154.5 3 1 A X - 0 0 70 -2,-1.4 2,-0.2 4,-0.1 3,-0.1 -0.065 18.2-165.4 -52.8 137.5 -59.1 -21.8 152.5 4 2 A E > - 0 0 75 1,-0.1 4,-1.6 33,-0.0 5,-0.2 -0.645 41.5 -94.1-110.5 170.0 -55.7 -22.2 154.0 5 3 A L H >> S+ 0 0 4 -2,-0.2 4,-2.4 1,-0.2 3,-1.2 0.966 123.1 42.8 -54.9 -66.1 -52.6 -22.4 151.8 6 4 A Y H 3> S+ 0 0 83 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.791 111.6 59.7 -51.8 -27.3 -52.2 -26.2 151.3 7 5 A E H 3> S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.889 108.3 43.2 -68.2 -38.7 -55.9 -26.3 150.9 8 6 A C H S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-1.1 0.927 110.4 44.1 -60.1 -48.5 -52.6 -25.8 146.5 10 8 A Q H X5S+ 0 0 56 -4,-2.2 4,-0.6 1,-0.2 5,-0.3 0.914 114.4 51.1 -62.5 -42.8 -54.4 -29.2 146.4 11 9 A D H <5S+ 0 0 126 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.718 127.2 21.9 -66.6 -24.1 -57.5 -27.5 145.0 12 10 A I H <5S+ 0 0 26 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.2 0.799 133.8 28.3-112.0 -48.2 -55.5 -25.8 142.2 13 11 A F H ><5S+ 0 0 0 -4,-3.0 3,-1.0 -5,-0.3 -3,-0.2 0.651 101.8 78.7 -93.1 -18.4 -52.3 -27.6 141.5 14 12 A G T 3<> - 0 0 31 1,-0.1 4,-2.8 -2,-0.1 3,-0.5 -0.522 32.2 -98.3 -97.0 166.7 -47.7 -25.5 130.4 21 19 A V H 3> S+ 0 0 9 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.803 129.6 46.0 -54.5 -27.9 -45.8 -22.4 131.6 22 20 A K H 3> S+ 0 0 126 2,-0.2 4,-2.3 3,-0.2 -1,-0.3 0.755 106.5 56.4 -85.8 -25.7 -49.2 -20.6 131.2 23 21 A D H <> S+ 0 0 75 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.934 112.5 44.6 -66.0 -43.9 -51.2 -23.3 132.9 24 22 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.879 111.3 52.5 -66.1 -41.2 -48.9 -22.7 135.8 25 23 A A H X S+ 0 0 10 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.902 111.5 45.2 -65.0 -41.3 -49.0 -18.9 135.6 26 24 A T H < S+ 0 0 75 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.828 111.5 53.4 -74.0 -28.0 -52.8 -18.8 135.7 27 25 A S H >< S+ 0 0 6 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.863 107.2 50.7 -74.5 -32.7 -53.0 -21.3 138.5 28 26 A L H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.902 107.3 54.5 -67.4 -39.7 -50.6 -19.2 140.7 29 27 A K T 3< S+ 0 0 109 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.611 95.5 70.2 -68.7 -10.5 -52.8 -16.2 140.0 30 28 A Q T < S+ 0 0 124 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.472 74.2 105.2 -85.9 -1.4 -55.8 -18.2 141.3 31 29 A I S X S- 0 0 13 -3,-1.6 3,-0.8 -4,-0.1 2,-0.6 -0.681 77.1-120.8 -84.5 130.1 -54.5 -18.1 144.9 32 30 A P T 3 S- 0 0 67 0, 0.0 5,-0.3 0, 0.0 -2,-0.1 -0.593 85.2 -28.7 -72.8 113.6 -56.3 -15.6 147.2 33 31 A N T >> S- 0 0 111 -2,-0.6 3,-1.9 1,-0.1 4,-1.4 0.909 77.1-173.4 38.7 54.5 -53.9 -13.0 148.6 34 32 A A H <> S+ 0 0 4 -3,-0.8 4,-2.9 1,-0.3 5,-0.2 0.768 73.4 72.4 -44.7 -32.3 -51.2 -15.7 148.2 35 33 A A H 3> S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.897 102.4 38.2 -54.5 -45.6 -48.9 -13.2 150.0 36 34 A K H <4 S+ 0 0 159 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.890 116.8 50.4 -74.1 -41.3 -50.6 -13.7 153.4 37 35 A L H < S+ 0 0 32 -4,-1.4 -32,-0.2 -5,-0.3 -2,-0.2 0.846 103.7 61.4 -64.6 -34.9 -51.1 -17.5 152.9 38 36 A S H >< S+ 0 0 0 -4,-2.9 3,-2.1 -5,-0.2 4,-0.2 0.889 87.8 101.8 -61.0 -44.0 -47.4 -17.9 151.9 39 37 A Q T 3< S+ 0 0 85 -4,-1.1 4,-0.0 1,-0.3 0, 0.0 -0.655 71.0 38.2 -72.8 144.7 -46.2 -16.6 155.3 40 38 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.422 106.1 68.1-101.0 66.3 -45.3 -18.5 157.4 41 39 A Y S < S+ 0 0 51 -3,-2.1 2,-0.2 2,-0.1 -2,-0.2 0.394 75.0 110.8-113.9 -3.0 -43.6 -20.7 154.9 42 40 A I - 0 0 26 -4,-0.2 2,-0.3 24,-0.1 24,-0.1 -0.498 51.9-167.8 -71.6 135.4 -41.0 -18.0 154.2 43 41 A K - 0 0 97 -2,-0.2 8,-0.2 22,-0.2 24,-0.1 -0.868 20.5-110.6-129.9 161.8 -37.6 -18.8 155.5 44 42 A E - 0 0 127 -2,-0.3 8,-0.4 1,-0.1 6,-0.1 -0.538 54.5 -77.2 -86.1 154.6 -34.2 -17.1 156.0 45 43 A P + 0 0 50 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.282 61.3 157.7 -53.2 121.9 -31.2 -17.9 153.9 46 44 A D S S- 0 0 128 4,-0.6 5,-0.1 -3,-0.1 0, 0.0 0.646 75.5 -3.0-109.3 -88.4 -29.7 -21.2 155.2 47 45 A Q S S+ 0 0 139 5,-0.1 4,-0.1 3,-0.1 2,-0.1 0.886 131.9 52.4 -74.8 -39.9 -27.5 -23.1 152.7 48 46 A Y S S- 0 0 101 2,-0.4 4,-0.1 1,-0.1 26,-0.1 -0.246 92.5-109.0 -91.0 178.7 -28.2 -20.5 149.9 49 47 A A S S+ 0 0 44 24,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.617 107.1 50.8 -79.8 -14.4 -27.8 -16.7 149.7 50 48 A Y S S- 0 0 15 18,-0.1 -4,-0.6 -6,-0.1 -2,-0.4 -0.866 95.8-101.1-125.2 156.8 -31.6 -16.8 149.7 51 49 A G E -A 67 0A 0 16,-3.0 16,-2.9 -2,-0.3 2,-0.4 -0.612 42.3-177.3 -76.1 131.4 -34.4 -18.3 151.7 52 50 A R E +A 66 0A 52 -8,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.983 8.9 176.3-136.9 123.6 -35.7 -21.4 150.0 53 51 A N E -A 65 0A 28 12,-2.5 12,-2.9 -2,-0.4 2,-0.4 -0.903 19.0-152.3-135.5 110.5 -38.6 -23.6 151.3 54 52 A A E +A 64 0A 61 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.633 26.0 164.3 -72.8 127.0 -40.0 -26.6 149.4 55 53 A I E + 0 0 14 8,-2.6 2,-0.3 -2,-0.4 9,-0.2 0.482 54.7 23.7-127.0 -6.5 -43.6 -26.9 150.6 56 54 A Y E +A 63 0A 59 7,-1.1 7,-1.9 2,-0.0 -1,-0.3 -0.988 57.9 164.6-157.5 152.7 -45.5 -29.1 148.1 57 55 A R E +A 62 0A 157 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.960 6.6 154.4-169.9 146.7 -44.7 -31.9 145.7 58 56 A N - 0 0 35 3,-2.0 -2,-0.0 -2,-0.3 -44,-0.0 -0.735 62.8 -79.1-152.2-158.7 -46.1 -34.7 143.6 59 57 A N S S+ 0 0 127 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.718 128.1 46.3 -86.8 -17.8 -45.1 -36.5 140.4 60 58 A E S S- 0 0 14 1,-0.2 2,-0.3 85,-0.1 -1,-0.1 0.938 119.5 -2.1 -85.3 -57.8 -46.4 -33.6 138.4 61 59 A L - 0 0 0 83,-0.2 -3,-2.0 84,-0.2 2,-0.3 -0.828 48.2-143.5-137.5 174.7 -45.1 -30.4 140.1 62 60 A E E -AB 57 143A 22 81,-2.1 81,-2.8 -2,-0.3 2,-0.5 -0.997 12.9-156.8-141.1 132.3 -43.1 -28.9 142.9 63 61 A I E +AB 56 142A 1 -7,-1.9 -8,-2.6 -2,-0.3 -7,-1.1 -0.934 13.8 179.5-115.6 125.0 -43.8 -25.6 144.8 64 62 A I E -AB 54 141A 0 77,-1.7 77,-2.9 -2,-0.5 2,-0.6 -0.937 23.5-137.5-127.4 150.0 -41.2 -23.6 146.7 65 63 A V E -AB 53 140A 0 -12,-2.9 -12,-2.5 -2,-0.3 2,-0.4 -0.909 26.3-165.3-102.8 123.6 -41.2 -20.3 148.7 66 64 A I E -AB 52 139A 5 73,-3.3 73,-3.2 -2,-0.6 2,-0.4 -0.903 12.4-170.8-117.8 140.7 -38.2 -18.1 147.9 67 65 A N E -AB 51 138A 2 -16,-2.9 -16,-3.0 -2,-0.4 71,-0.2 -0.941 1.4-171.3-131.2 108.0 -36.9 -15.2 149.8 68 66 A I E - B 0 137A 0 69,-3.3 69,-1.2 -2,-0.4 4,-0.2 -0.825 18.3-143.8-104.8 100.1 -34.2 -13.0 148.3 69 67 A P > - 0 0 29 0, 0.0 3,-0.9 0, 0.0 62,-0.2 -0.118 45.9 -66.3 -55.1 155.3 -32.8 -10.4 150.8 70 68 A P T 3 S+ 0 0 53 0, 0.0 64,-0.1 0, 0.0 66,-0.1 -0.170 122.2 10.3 -49.2 130.6 -31.8 -7.0 149.5 71 69 A N T 3 S+ 0 0 121 60,-2.9 2,-0.3 62,-0.5 63,-0.1 0.845 101.4 122.1 66.0 41.2 -28.9 -7.1 147.1 72 70 A K < - 0 0 90 -3,-0.9 59,-1.4 59,-0.4 2,-0.3 -0.918 37.7-171.9-129.2 154.1 -28.8 -10.9 146.8 73 71 A E B -E 130 0B 95 -2,-0.3 57,-0.3 57,-0.2 -24,-0.2 -0.948 20.8-121.6-144.5 163.4 -29.1 -13.1 143.8 74 72 A T - 0 0 9 55,-2.6 2,-0.1 -2,-0.3 54,-0.0 -0.246 45.3 -89.5 -90.3-174.6 -29.5 -16.7 142.7 75 73 A T - 0 0 60 -2,-0.1 2,-0.6 53,-0.1 54,-0.3 -0.305 46.2 -92.6 -87.2 178.9 -27.0 -18.5 140.5 76 74 A V E S+F 153 0B 10 77,-0.6 77,-2.5 52,-0.1 2,-0.3 -0.870 70.6 148.6 -92.4 121.7 -27.2 -18.5 136.7 77 75 A H E -FG 152 127B 10 50,-2.3 50,-2.5 -2,-0.6 2,-0.3 -0.959 47.4-138.3-154.0 169.3 -29.2 -21.7 136.0 78 76 A D - 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0 0 63 3,-1.0 2,-0.6 -2,-0.4 3,-0.4 -0.090 59.1 -70.5-150.9 50.4 -22.5 -19.9 125.1 102 100 A G S S- 0 0 73 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.900 99.6 -26.2 106.0-122.7 -20.3 -22.9 125.9 103 101 A E S S+ 0 0 71 -2,-0.6 51,-0.9 -3,-0.1 2,-0.2 0.445 134.0 49.1-109.0 -6.2 -19.6 -23.6 129.5 104 102 A H S S- 0 0 113 -3,-0.4 -3,-1.0 49,-0.2 2,-0.3 -0.528 83.5-132.4-117.1-176.4 -20.0 -20.0 130.7 105 103 A A E -H 100 0B 1 49,-0.3 51,-3.5 -2,-0.2 2,-0.3 -0.992 3.7-141.9-149.5 142.0 -23.0 -17.9 129.8 106 104 A E E -H 99 0B 35 -7,-1.3 -7,-3.7 -2,-0.3 2,-0.2 -0.757 32.1-105.2-101.6 147.3 -23.6 -14.4 128.5 107 105 A L E +H 98 0B 99 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.485 39.7 172.6 -67.8 135.4 -26.5 -12.1 129.6 108 106 A S E - 0 0 29 -11,-3.6 2,-0.3 1,-0.5 -10,-0.2 0.719 58.5 -8.7-115.2 -37.2 -29.1 -11.9 126.9 109 107 A N E -H 97 0B 15 -12,-1.3 -12,-2.8 169,-0.1 -1,-0.5 -0.947 56.0-167.7-154.4 169.4 -32.1 -10.0 128.3 110 108 A S E +H 96 0B 38 -2,-0.3 167,-0.3 -14,-0.3 2,-0.3 -0.946 14.0 151.4-165.7 144.7 -33.3 -8.5 131.6 111 109 A Y E -H 95 0B 7 -16,-1.5 -16,-3.2 -2,-0.3 2,-0.3 -0.975 36.4-101.6-165.0 169.9 -36.4 -7.1 133.1 112 110 A F E -H 94 0B 48 157,-0.3 2,-0.4 -2,-0.3 157,-0.3 -0.728 18.4-163.9-103.7 155.9 -38.4 -6.6 136.3 113 111 A V E -H 93 0B 3 -20,-1.8 -20,-2.0 -2,-0.3 2,-0.2 -0.994 17.2-157.5-135.3 128.3 -41.4 -8.5 137.6 114 112 A H E > -H 92 0B 36 -2,-0.4 3,-2.6 1,-0.2 -26,-0.4 -0.551 38.5 -55.5-105.6 172.6 -43.4 -6.9 140.4 115 113 A E T 3 S+ 0 0 120 -24,-0.9 -26,-0.2 1,-0.3 -1,-0.2 -0.091 126.7 17.0 -44.9 139.7 -45.8 -8.2 143.0 116 114 A G T 3 S+ 0 0 47 -28,-2.5 -1,-0.3 1,-0.3 2,-0.3 0.320 106.5 104.6 78.3 -11.3 -48.6 -10.2 141.5 117 115 A E < - 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