==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-NOV-12 4HX6 . COMPND 2 MOLECULE: OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GLOBISPORUS; . AUTHOR K.TAN,L.BIGELOW,S.CLANCY,G.BABNIGG,C.A.BINGMAN,R.YENNAMALLI, . 1375 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 895 65.1 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 . 515 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 16 1.2 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 . 103 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 6 0 17 1 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 . 22 2 31 9 8 8 8 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 4 0 8 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 N > 0 0 150 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.3 17.3 22.9 45.7 2 0 A A T 3 + 0 0 100 1,-0.3 4,-0.2 2,-0.1 0, 0.0 0.777 360.0 35.1 -52.0 -35.0 20.5 23.7 47.6 3 1 A X T 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.449 82.0 107.5-104.8 -2.4 20.2 20.6 49.9 4 2 A S H <> S+ 0 0 55 -3,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.807 78.9 55.0 -46.6 -37.9 18.7 18.1 47.4 5 3 A P H 4 S+ 0 0 99 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.979 117.9 30.8 -61.5 -56.2 22.0 16.3 47.2 6 4 A I H 4 S+ 0 0 145 1,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.619 123.5 50.3 -79.9 -12.9 22.5 15.7 51.0 7 5 A I H < S+ 0 0 110 -4,-2.4 -1,-0.2 3,-0.0 -3,-0.2 0.539 81.4 127.3 -99.7 -10.2 18.7 15.5 51.6 8 6 A A < - 0 0 34 -4,-1.1 3,-0.1 -3,-0.4 -4,-0.0 -0.040 68.3-103.4 -45.1 146.2 18.1 13.0 48.8 9 7 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.173 61.9 -59.1 -65.4 169.4 16.2 9.9 49.8 10 8 A P - 0 0 107 0, 0.0 2,-0.5 0, 0.0 318,-0.4 -0.298 56.0-146.7 -50.7 126.4 18.2 6.6 50.4 11 9 A A - 0 0 59 315,-0.1 2,-0.6 -3,-0.1 315,-0.2 -0.865 6.0-148.2 -95.9 132.9 20.0 5.7 47.1 12 10 A E E -A 325 0A 54 313,-3.0 313,-2.3 -2,-0.5 2,-0.4 -0.910 6.4-143.5-101.1 118.4 20.3 2.0 46.5 13 11 A L E -A 324 0A 121 -2,-0.6 2,-0.6 311,-0.2 311,-0.2 -0.672 21.5-147.3 -74.2 133.0 23.4 0.9 44.5 14 12 A V E -A 323 0A 0 309,-2.9 309,-1.2 -2,-0.4 -2,-0.0 -0.928 9.1-153.4-112.8 119.0 22.3 -1.9 42.3 15 13 A D > - 0 0 72 -2,-0.6 3,-2.3 1,-0.1 7,-0.3 -0.811 14.2-145.1 -84.4 119.5 24.7 -4.8 41.4 16 14 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.705 98.9 61.7 -62.8 -18.2 23.4 -6.1 38.0 17 15 A K T 3 S+ 0 0 183 1,-0.1 2,-1.0 210,-0.0 3,-0.1 0.640 83.8 86.9 -76.8 -17.7 24.4 -9.6 39.1 18 16 A D <> - 0 0 66 -3,-2.3 4,-2.6 1,-0.2 5,-0.2 -0.762 67.0-164.3 -88.1 101.0 21.9 -9.4 42.0 19 17 A R H > S+ 0 0 116 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.866 85.2 50.9 -60.1 -40.6 18.7 -10.5 40.2 20 18 A V H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.944 113.5 44.9 -60.9 -47.5 16.4 -9.2 42.9 21 19 A Q H > S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.875 112.4 51.7 -65.7 -38.9 18.0 -5.7 42.9 22 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -7,-0.3 5,-0.2 0.895 105.6 54.3 -67.2 -40.8 18.0 -5.6 39.1 23 21 A R H X S+ 0 0 137 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.888 106.1 55.5 -57.8 -39.1 14.3 -6.5 38.9 24 22 A R H < S+ 0 0 98 -4,-1.6 4,-0.3 2,-0.2 -1,-0.2 0.897 108.7 44.2 -64.3 -41.0 13.7 -3.6 41.2 25 23 A V H >< S+ 0 0 3 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.910 112.3 52.5 -72.0 -36.8 15.4 -1.0 38.9 26 24 A F H >< S+ 0 0 20 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.897 106.1 56.3 -60.9 -36.7 13.7 -2.5 35.8 27 25 A G T 3< S+ 0 0 21 -4,-2.1 141,-2.6 1,-0.2 -1,-0.3 0.595 88.8 77.4 -69.8 -10.4 10.5 -2.1 37.7 28 26 A D T < S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.3 303,-0.2 0.625 77.1 80.6 -78.1 -13.6 11.2 1.7 38.2 29 27 A F S < S- 0 0 15 -3,-1.3 193,-0.1 -4,-0.3 139,-0.1 -0.859 83.7-134.3 -96.1 113.1 10.2 2.4 34.6 30 28 A P + 0 0 1 0, 0.0 171,-1.2 0, 0.0 2,-0.3 -0.310 32.2 168.7 -68.5 149.3 6.4 2.6 34.4 31 29 A T B -HI 166 200B 17 135,-2.2 135,-2.6 169,-0.2 169,-0.2 -0.942 33.7-106.5-146.7 170.8 4.5 0.9 31.5 32 30 A G - 0 0 0 167,-1.3 2,-0.4 -2,-0.3 133,-0.2 -0.168 39.2-113.5 -79.9-170.9 1.2 -0.2 30.3 33 31 A V - 0 0 5 131,-0.4 53,-2.3 53,-0.3 2,-0.3 -0.998 32.7-178.2-131.5 130.1 0.1 -3.8 30.3 34 32 A T E -MN 48 85C 0 14,-2.1 14,-2.7 -2,-0.4 2,-0.5 -0.835 23.2-141.3-120.0 160.8 -0.6 -5.9 27.3 35 33 A V E -MN 47 84C 0 49,-2.0 49,-2.3 -2,-0.3 2,-0.5 -0.988 18.6-157.6-116.7 118.8 -1.7 -9.4 26.6 36 34 A V E -MN 46 83C 0 10,-2.8 10,-2.3 -2,-0.5 2,-0.3 -0.822 17.7-174.8 -91.6 130.1 0.2 -10.9 23.6 37 35 A T E -MN 45 82C 0 45,-2.6 45,-2.6 -2,-0.5 2,-0.3 -0.909 13.6-166.8-126.2 158.9 -1.7 -13.8 22.0 38 36 A V E -M 44 0C 0 6,-2.2 6,-1.5 -2,-0.3 43,-0.1 -0.951 13.8-137.0-138.4 156.9 -1.1 -16.3 19.3 39 37 A G + 0 0 6 41,-0.4 3,-0.2 81,-0.4 2,-0.2 0.198 43.4 114.9 -93.0-145.6 -3.4 -18.7 17.4 40 38 A G S S- 0 0 50 81,-0.3 34,-0.0 1,-0.2 -2,-0.0 -0.499 88.6 -49.8 104.0-178.6 -2.9 -22.3 16.5 41 39 A S S S+ 0 0 117 1,-0.3 -1,-0.2 -2,-0.2 837,-0.0 0.823 141.3 30.7 -64.1 -28.2 -4.7 -25.5 17.6 42 40 A E S S- 0 0 18 -3,-0.2 -1,-0.3 65,-0.0 -4,-0.0 -0.829 89.5-148.8-129.4 93.1 -4.3 -24.3 21.2 43 41 A P - 0 0 36 0, 0.0 65,-0.4 0, 0.0 2,-0.3 -0.202 16.2-164.3 -59.8 153.0 -4.2 -20.5 21.3 44 42 A R E -M 38 0C 12 -6,-1.5 -6,-2.2 -5,-0.2 2,-0.3 -0.959 9.6-163.8-138.4 155.1 -2.1 -18.9 24.1 45 43 A G E -M 37 0C 4 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.953 0.9-168.4-135.7 156.1 -1.8 -15.5 25.8 46 44 A X E -M 36 0C 30 -10,-2.3 -10,-2.8 -2,-0.3 2,-0.3 -0.956 25.4-125.6-146.5 126.7 0.9 -13.9 27.9 47 45 A T E +M 35 0C 33 50,-2.4 2,-0.4 -2,-0.3 -12,-0.3 -0.573 40.7 177.8 -67.0 129.2 0.7 -10.7 29.9 48 46 A A E -M 34 0C 9 -14,-2.7 -14,-2.1 -2,-0.3 3,-0.2 -0.999 33.6-178.9-140.5 136.7 3.6 -8.6 28.8 49 47 A N S S+ 0 0 69 -2,-0.4 -17,-0.2 -16,-0.2 -1,-0.1 0.321 72.4 86.9-110.2 5.9 4.8 -5.1 29.7 50 48 A S + 0 0 11 14,-0.2 -1,-0.1 171,-0.1 12,-0.1 0.408 55.7 131.0 -86.8 3.2 7.8 -5.2 27.3 51 49 A F + 0 0 6 -3,-0.2 2,-0.4 12,-0.1 12,-0.2 -0.314 32.1 176.2 -57.7 131.9 5.8 -4.0 24.4 52 50 A T E -O 62 0C 11 10,-2.5 10,-2.8 -2,-0.0 2,-0.3 -0.992 30.7-129.2-141.7 131.8 7.5 -1.1 22.6 53 51 A S E +O 61 0C 39 -2,-0.4 8,-0.3 8,-0.2 180,-0.1 -0.650 31.2 174.5 -76.7 137.4 6.6 0.9 19.4 54 52 A V E + 0 0 5 6,-2.6 2,-0.3 1,-0.3 7,-0.2 0.831 49.7 5.5-110.9 -49.1 9.6 0.9 17.1 55 53 A S E > -O 60 0C 0 5,-1.8 5,-2.2 1,-0.1 -1,-0.3 -0.986 37.6-155.9-146.7 146.5 9.0 2.5 13.7 56 54 A L T 5S+ 0 0 24 -2,-0.3 -1,-0.1 1,-0.3 255,-0.1 0.788 85.6 61.7 -88.2 -37.6 6.3 4.4 11.8 57 55 A S T 5S+ 0 0 73 1,-0.4 -1,-0.3 2,-0.1 129,-0.0 -0.861 119.4 18.1-141.0 104.2 7.5 3.5 8.4 58 56 A P T 5S- 0 0 54 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.602 110.2-117.3 -74.3 167.9 7.5 0.7 8.1 59 57 A P T 5 + 0 0 13 0, 0.0 93,-2.1 0, 0.0 2,-0.4 -0.628 50.3 165.0 -75.2 108.9 5.0 0.2 11.0 60 58 A L E < +OP 55 151C 4 -5,-2.2 -6,-2.6 -2,-0.7 -5,-1.8 -0.978 19.1 174.8-132.0 142.7 7.0 -1.9 13.6 61 59 A V E -OP 53 150C 0 89,-2.7 89,-3.3 -2,-0.4 2,-0.3 -0.872 15.8-146.0-129.7 166.9 6.7 -2.9 17.2 62 60 A L E -OP 52 149C 0 -10,-2.8 -10,-2.5 -2,-0.3 2,-0.3 -0.975 10.3-173.0-131.2 157.4 8.6 -5.2 19.4 63 61 A I E - P 0 148C 1 85,-1.8 85,-2.9 -2,-0.3 2,-0.5 -0.980 18.6-138.4-136.3 153.1 8.0 -7.5 22.4 64 62 A C E - P 0 147C 6 -2,-0.3 2,-0.5 83,-0.2 -14,-0.2 -0.955 20.8-169.8-113.9 126.9 10.5 -9.4 24.5 65 63 A V E - P 0 146C 0 81,-2.5 81,-2.3 -2,-0.5 77,-0.1 -0.969 23.0-118.4-122.2 129.4 9.5 -12.9 25.4 66 64 A G E > - P 0 145C 5 -2,-0.5 3,-1.5 79,-0.2 6,-0.3 -0.303 13.3-133.6 -63.1 141.3 11.3 -15.1 27.9 67 65 A K T 3 S+ 0 0 91 77,-2.5 -1,-0.2 1,-0.3 78,-0.1 0.712 109.5 60.2 -65.0 -15.6 12.9 -18.3 26.7 68 66 A D T 3 S+ 0 0 122 76,-0.4 -1,-0.3 4,-0.1 2,-0.2 0.580 86.8 99.9 -86.6 -8.8 11.2 -19.9 29.7 69 67 A A S X> S- 0 0 8 -3,-1.5 3,-1.0 1,-0.1 4,-0.7 -0.545 73.4-138.3 -81.0 142.1 7.8 -18.9 28.5 70 68 A V H 3> S+ 0 0 49 1,-0.2 4,-1.5 -2,-0.2 3,-0.4 0.872 106.9 65.4 -55.6 -37.4 5.5 -21.3 26.7 71 69 A X H 3> S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.789 87.7 68.7 -57.6 -29.1 4.8 -18.3 24.5 72 70 A H H <> S+ 0 0 7 -3,-1.0 4,-1.3 -6,-0.3 -1,-0.2 0.956 105.1 38.1 -60.4 -51.3 8.4 -18.4 23.2 73 71 A Q H X S+ 0 0 57 -4,-0.7 4,-1.5 -3,-0.4 -1,-0.2 0.822 112.7 57.8 -69.6 -30.9 8.0 -21.6 21.3 74 72 A R H X S+ 0 0 40 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.908 107.4 48.5 -66.4 -37.6 4.4 -20.8 20.1 75 73 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 109.4 50.9 -71.4 -30.8 5.7 -17.6 18.5 76 74 A T H < S+ 0 0 9 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.788 113.2 46.9 -77.9 -25.6 8.6 -19.3 16.7 77 75 A A H < S+ 0 0 28 -4,-1.5 309,-0.8 1,-0.3 -2,-0.2 0.803 122.9 32.3 -81.9 -28.7 6.2 -21.9 15.3 78 76 A L S < S- 0 0 43 -4,-1.4 2,-1.4 -5,-0.2 -1,-0.3 -0.904 73.5-156.6-137.8 102.7 3.6 -19.4 14.2 79 77 A P + 0 0 27 0, 0.0 57,-2.1 0, 0.0 2,-0.3 -0.170 67.1 77.6 -86.0 40.7 5.0 -16.0 13.0 80 78 A T E + Q 0 135C 25 -2,-1.4 -41,-0.4 55,-0.2 2,-0.3 -0.986 54.0 166.8-145.2 141.9 1.9 -13.9 13.6 81 79 A F E - 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