==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-AUG-06 2J3J . COMPND 2 MOLECULE: NADP-DEPENDENT OXIDOREDUCTASE P1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.YOUN,S.J.KIM,S.G.MOINUDDIN,C.LEE,D.L.BEDGAR,A.R.HARPER, . 681 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 13.1 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 0.1 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 . 60 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 3 1 2 1 4 3 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 4 4 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 . 5 2 3 2 1 0 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 2 1 1 0 1 0 0 0 0 1 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 0 173 0, 0.0 31,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 145.7 58.2 -8.1 105.9 2 2 A T E +A 31 0A 84 29,-0.2 29,-0.2 30,-0.1 2,-0.1 -0.702 360.0 171.1-142.2 79.8 55.6 -10.7 105.0 3 3 A A E -A 30 0A 20 27,-1.1 27,-2.2 -2,-0.2 2,-0.2 -0.436 34.3-102.0 -90.0 156.9 52.1 -9.3 105.4 4 4 A T E -A 29 0A 85 25,-0.2 2,-0.5 -2,-0.1 25,-0.3 -0.548 26.2-150.0 -76.2 146.8 48.5 -10.5 104.5 5 5 A N E -A 28 0A 0 23,-3.4 23,-2.3 -2,-0.2 2,-0.2 -0.908 3.8-155.8-124.8 100.0 46.7 -9.1 101.4 6 6 A K E -A 27 0A 64 -2,-0.5 94,-0.9 21,-0.2 2,-0.3 -0.568 21.7-169.5 -75.6 132.7 42.8 -8.9 101.6 7 7 A Q E -AB 26 99A 28 19,-3.0 19,-1.7 -2,-0.2 2,-0.6 -0.912 24.9-134.1-125.9 153.7 41.4 -8.9 98.1 8 8 A V E -A 25 0A 0 90,-2.6 62,-1.6 -2,-0.3 90,-0.2 -0.955 31.4-170.3-112.8 107.0 37.9 -8.2 96.4 9 9 A I B -C 69 0B 16 15,-2.4 15,-0.4 -2,-0.6 2,-0.4 -0.194 23.2-128.9 -82.9 168.0 37.2 -11.0 93.7 10 10 A L - 0 0 1 58,-1.0 57,-0.5 13,-0.2 13,-0.2 -0.990 17.7-163.1-118.2 125.4 34.4 -11.2 91.1 11 11 A K - 0 0 154 11,-2.1 2,-0.3 -2,-0.4 -1,-0.1 0.973 67.4 -21.4 -66.9 -60.8 32.7 -14.6 91.4 12 12 A D S S- 0 0 100 10,-0.5 -1,-0.4 55,-0.1 55,-0.1 -0.904 87.3 -72.2-149.5 159.9 30.9 -14.7 88.1 13 13 A Y - 0 0 76 -2,-0.3 2,-0.4 -3,-0.1 46,-0.2 -0.064 43.4-115.8 -58.9 152.4 29.8 -12.0 85.5 14 14 A V + 0 0 11 44,-2.0 46,-0.1 41,-0.2 -1,-0.1 -0.853 25.1 178.5-104.2 136.6 26.9 -9.5 85.9 15 15 A S S S+ 0 0 91 -2,-0.4 2,-0.1 2,-0.2 -1,-0.1 0.522 72.2 5.2-105.4 -21.7 23.8 -9.4 83.7 16 16 A G S S- 0 0 20 1,-0.2 -2,-0.1 238,-0.1 238,-0.0 -0.148 118.8 -18.5-131.3-134.9 21.8 -6.5 85.2 17 17 A F S S- 0 0 103 -2,-0.1 2,-0.2 1,-0.0 -1,-0.2 -0.733 79.8-105.8 -76.5 131.3 22.4 -4.0 88.0 18 18 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 304,-0.1 -0.508 33.1-163.9 -73.8 128.7 25.4 -5.2 90.3 19 19 A T > - 0 0 68 -2,-0.2 3,-1.0 301,-0.0 4,-0.1 -0.750 33.9-110.6-100.4 154.7 24.6 -6.5 93.8 20 20 A E G > S+ 0 0 85 -2,-0.3 3,-0.8 1,-0.3 296,-0.1 0.629 110.9 72.3 -59.1 -18.9 27.1 -6.9 96.6 21 21 A S G 3 S+ 0 0 95 1,-0.2 -1,-0.3 294,-0.1 3,-0.1 -0.024 79.8 68.2 -92.3 18.5 26.8 -10.6 96.2 22 22 A D G < S+ 0 0 34 -3,-1.0 -11,-2.1 -13,-0.1 -10,-0.5 0.299 100.7 61.7-110.7 -0.8 28.7 -10.9 92.9 23 23 A F < + 0 0 8 -3,-0.8 2,-0.3 -13,-0.2 -13,-0.2 -0.939 63.6 174.6-127.9 140.8 31.8 -10.0 94.8 24 24 A D - 0 0 101 -15,-0.4 -15,-2.4 -2,-0.3 2,-0.3 -0.980 28.6-109.5-148.9 156.4 33.5 -11.8 97.8 25 25 A F E +A 8 0A 97 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.663 33.9 167.7 -96.8 136.0 36.7 -11.4 99.8 26 26 A T E -A 7 0A 71 -19,-1.7 -19,-3.0 -2,-0.3 2,-0.3 -0.870 21.1-135.2-136.1 164.8 39.7 -13.6 99.7 27 27 A T E +A 6 0A 86 -2,-0.3 -21,-0.2 -21,-0.2 2,-0.2 -0.999 16.7 178.8-133.7 133.5 43.3 -13.3 101.2 28 28 A T E -A 5 0A 60 -23,-2.3 -23,-3.4 -2,-0.3 2,-0.5 -0.611 28.6-121.2-111.2 174.0 46.8 -13.9 99.9 29 29 A T E -A 4 0A 95 -25,-0.3 2,-0.5 -2,-0.2 -25,-0.2 -0.995 25.8-159.3-123.5 120.8 50.2 -13.4 101.7 30 30 A V E -A 3 0A 28 -27,-2.2 -27,-1.1 -2,-0.5 2,-0.5 -0.912 13.4-143.0-110.0 129.4 52.7 -11.0 100.1 31 31 A E E -A 2 0A 107 -2,-0.5 2,-1.9 -29,-0.2 -29,-0.2 -0.726 24.3-130.3 -81.9 115.8 56.3 -10.9 100.7 32 32 A L + 0 0 31 -31,-2.7 2,-0.1 -2,-0.5 -30,-0.1 -0.414 58.4 149.4 -86.8 65.7 57.4 -7.2 100.6 33 33 A R - 0 0 155 -2,-1.9 47,-0.2 47,-0.1 3,-0.1 -0.358 66.4 -93.2 -93.7 161.2 60.1 -8.0 98.3 34 34 A V S S- 0 0 101 1,-0.2 47,-0.1 -2,-0.1 7,-0.0 -0.777 84.7-110.2 -91.3 97.1 62.0 -6.3 95.4 35 35 A P - 0 0 26 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.869 16.2 -69.3 -83.9-149.5 59.7 -7.9 93.2 36 36 A E S S- 0 0 142 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.868 75.1 -77.2 -42.2 -74.0 58.2 -10.4 90.4 37 37 A G S S+ 0 0 31 4,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.793 83.5 44.0 160.7 161.0 59.8 -9.5 86.9 38 38 A T S S- 0 0 119 -2,-0.2 2,-0.4 1,-0.1 0, 0.0 -0.717 119.1 -23.2 81.0-128.9 59.9 -7.2 83.8 39 39 A N S S+ 0 0 88 -2,-0.3 44,-0.2 44,-0.1 -1,-0.1 -0.335 99.1 166.2-104.3 50.3 59.7 -3.4 84.6 40 40 A S - 0 0 4 -2,-0.4 42,-2.5 42,-0.3 2,-0.3 -0.123 31.9-174.7 -74.0 149.0 58.0 -3.9 88.1 41 41 A V E -D 81 0C 0 63,-1.4 2,-0.5 40,-0.2 63,-0.4 -0.962 22.1-136.7-128.0 148.7 57.2 -2.1 91.3 42 42 A L E -D 80 0C 8 38,-2.5 37,-2.3 -2,-0.3 38,-0.9 -0.931 36.8-176.0-100.3 136.4 55.6 -3.5 94.6 43 43 A V E -DE 78 102C 0 59,-2.2 59,-0.8 -2,-0.5 2,-0.4 -0.826 29.4-136.0-128.8 159.7 53.0 -1.0 95.8 44 44 A K E -DE 77 101C 56 33,-2.3 33,-2.6 -2,-0.3 2,-0.3 -0.969 26.6-133.6-125.5 117.5 50.5 -0.4 98.7 45 45 A N E +D 76 0C 1 55,-1.0 31,-0.2 -2,-0.4 3,-0.1 -0.535 31.8 168.6 -76.0 115.1 47.1 0.8 97.6 46 46 A L E + 0 0 1 29,-2.5 289,-2.4 1,-0.4 288,-2.4 0.717 66.7 17.2 -93.6 -47.4 46.1 3.7 99.8 47 47 A Y E -DF 75 333C 41 28,-2.2 28,-0.6 286,-0.3 -1,-0.4 -0.962 65.8-161.8-135.3 144.5 43.0 4.9 97.9 48 48 A L E -DF 74 332C 0 284,-2.7 284,-2.6 -2,-0.3 2,-0.4 -0.886 13.0-132.6-123.5 153.0 40.8 3.2 95.2 49 49 A S E - F 0 331C 0 24,-2.3 2,-0.9 -2,-0.3 282,-0.2 -0.935 0.2-151.5-116.0 134.7 38.3 4.6 92.7 50 50 A C + 0 0 3 280,-3.0 280,-0.4 -2,-0.4 22,-0.0 -0.919 29.8 175.6-112.4 99.8 34.8 3.4 91.9 51 51 A D > - 0 0 4 -2,-0.9 3,-1.0 278,-0.1 4,-0.1 -0.820 35.8-129.2-103.0 138.7 34.4 4.3 88.4 52 52 A P G > S+ 0 0 47 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.533 96.4 77.4 -77.0 -4.1 31.3 3.4 86.2 53 53 A Y G >> S+ 0 0 56 1,-0.2 3,-1.0 2,-0.1 4,-0.8 0.619 77.2 82.6 -64.7 -21.9 33.2 1.9 83.2 54 54 A M G <4 S+ 0 0 0 -3,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.657 76.6 64.1 -64.7 -20.0 33.5 -1.2 85.5 55 55 A R G <4 S+ 0 0 21 -3,-0.9 -1,-0.2 2,-0.2 -41,-0.2 0.781 100.1 52.7 -71.8 -33.0 30.0 -2.6 84.6 56 56 A I T X4 S+ 0 0 73 -3,-1.0 3,-0.9 -4,-0.2 -2,-0.2 0.836 108.1 52.0 -70.8 -33.3 31.1 -3.1 80.9 57 57 A R T 3< S+ 0 0 38 -4,-0.8 7,-2.7 1,-0.3 -1,-0.2 0.613 96.9 65.9 -78.7 -16.8 34.1 -5.1 82.2 58 58 A M T 3 S+ 0 0 0 -4,-0.5 -44,-2.0 -3,-0.2 -1,-0.3 0.155 90.4 105.4 -84.8 13.1 31.8 -7.2 84.3 59 59 A G < 0 0 17 -3,-0.9 5,-0.2 -46,-0.2 -44,-0.1 -0.594 360.0 360.0 -97.4 158.9 30.5 -8.4 80.8 60 60 A K 0 0 229 -2,-0.2 -1,-0.1 -46,-0.1 3,-0.1 -0.280 360.0 360.0 -72.4 360.0 30.9 -11.7 78.8 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 70 A Q 0 0 201 0, 0.0 -5,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0-105.6 39.1 -5.2 78.0 63 71 A A - 0 0 51 -7,-0.1 -5,-0.2 -3,-0.1 -6,-0.1 0.918 360.0-107.3 43.4 122.8 36.9 -7.8 80.1 64 72 A Y - 0 0 7 -7,-2.7 6,-0.1 -5,-0.2 -51,-0.1 -0.360 17.9-133.4 -73.1 144.4 37.5 -9.3 83.7 65 73 A T > - 0 0 100 4,-0.3 3,-1.3 -2,-0.1 2,-0.6 -0.909 32.1-127.8 -97.6 106.9 38.6 -12.8 84.3 66 74 A P T 3 S+ 0 0 51 0, 0.0 -55,-0.1 0, 0.0 -53,-0.1 -0.565 90.1 37.2 -86.8 115.1 36.2 -14.1 87.2 67 75 A G T 3 S+ 0 0 42 1,-0.8 -56,-0.1 -2,-0.6 -58,-0.1 0.007 106.0 81.7 138.1 -13.7 37.7 -15.6 90.3 68 76 A Q S < S- 0 0 127 -3,-1.3 -58,-1.0 -58,-0.2 -1,-0.8 -0.555 93.3 -71.8 -98.6 164.2 40.6 -13.1 90.1 69 77 A P B -C 9 0B 17 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 -0.235 43.5-106.9 -54.0 153.9 40.4 -9.3 91.5 70 78 A I - 0 0 0 -62,-1.6 28,-2.2 28,-0.2 2,-0.3 -0.627 35.6-142.8 -77.8 131.1 38.6 -6.4 90.1 71 79 A Q E + G 0 97C 62 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.821 36.1 134.6-100.0 144.9 41.0 -3.9 88.4 72 80 A G E - G 0 96C 0 24,-2.0 24,-1.7 -2,-0.3 2,-0.1 -0.937 51.5 -63.3-168.7 178.4 40.5 -0.2 88.6 73 81 A Y E + G 0 95C 18 -2,-0.3 -24,-2.3 22,-0.2 2,-0.3 -0.350 56.3 141.8 -76.5 152.1 42.2 3.2 89.2 74 82 A G E -DG 48 94C 1 20,-0.9 20,-1.8 -26,-0.2 2,-0.4 -0.874 46.2 -96.0 174.6 160.6 43.9 4.3 92.4 75 83 A V E +DG 47 93C 0 -28,-0.6 -29,-2.5 -2,-0.3 -28,-2.2 -0.703 43.1 174.9 -92.0 131.2 46.6 6.0 94.4 76 84 A S E -DG 45 92C 0 16,-2.7 16,-2.7 -2,-0.4 2,-0.4 -0.990 26.9-135.2-144.6 145.1 49.4 4.0 95.7 77 85 A R E -DG 44 91C 64 -33,-2.6 -33,-2.3 -2,-0.3 2,-0.2 -0.843 32.3-114.8 -99.5 137.9 52.8 4.2 97.6 78 86 A I E +D 43 0C 1 12,-2.4 11,-3.0 -2,-0.4 -35,-0.2 -0.529 31.6 173.8 -80.7 131.1 55.9 2.3 96.4 79 87 A I E S- 0 0 29 -37,-2.3 2,-0.3 -2,-0.2 -36,-0.2 0.778 72.6 -1.9 -97.0 -68.5 57.1 -0.3 98.8 80 88 A E E S-D 42 0C 47 -38,-0.9 -38,-2.5 -47,-0.2 2,-0.3 -0.974 71.2-146.6-142.3 132.9 59.9 -1.8 96.5 81 89 A S E +D 41 0C 27 -2,-0.3 -40,-0.2 -40,-0.2 7,-0.1 -0.668 36.2 159.5-107.2 149.2 61.1 -1.1 93.0 82 90 A G + 0 0 48 -42,-2.5 -42,-0.3 -2,-0.3 -41,-0.2 0.044 67.1 91.6-138.3 11.1 62.5 -2.7 89.8 83 91 A H S S- 0 0 25 3,-0.2 3,-0.1 -43,-0.2 -44,-0.1 -0.913 81.6-127.6-102.4 137.4 61.4 0.1 87.4 84 92 A P S S+ 0 0 124 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.685 100.7 52.8 -66.0 -16.3 64.2 2.9 87.0 85 93 A D S S+ 0 0 100 2,-0.0 2,-0.2 0, 0.0 -4,-0.0 0.921 97.8 60.9 -85.8 -49.9 61.9 5.8 87.9 86 94 A Y + 0 0 22 -3,-0.1 2,-0.3 4,-0.0 -3,-0.2 -0.476 55.3 179.9 -87.0 145.9 60.3 4.9 91.2 87 95 A K > - 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