==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 02-DEC-10 3PSZ . COMPND 2 MOLECULE: QNR; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR X.XIONG,J.SPENCER . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 32.4 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 . 2 0.5 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 . 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 . 73 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 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 . 43 2 12 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 . 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 2 2 0 0 2 1 1 0 2 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 0 122 0, 0.0 2,-0.6 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 118.6 -19.3 65.0 -15.8 2 2 A I E -a 22 0A 32 19,-3.4 21,-2.6 3,-0.0 2,-0.4 -0.948 360.0-171.9-112.4 115.9 -20.8 65.3 -12.3 3 3 A K E -a 23 0A 116 -2,-0.6 21,-0.2 19,-0.2 19,-0.0 -0.929 52.6 -14.8-125.6 123.1 -18.1 64.4 -9.7 4 4 A D S S+ 0 0 114 19,-2.6 2,-0.3 -2,-0.4 21,-0.2 0.879 85.9 148.5 59.4 44.7 -18.2 63.9 -5.9 5 5 A K - 0 0 113 18,-0.2 21,-2.6 -3,-0.2 2,-0.5 -0.860 39.1-143.9-114.1 145.9 -21.6 65.6 -5.4 6 6 A X E -k 26 0B 152 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.927 13.6-170.9-109.2 129.7 -24.2 64.9 -2.7 7 7 A F E -k 27 0B 31 19,-2.9 21,-2.7 -2,-0.5 2,-0.5 -0.987 3.6-170.1-122.0 122.2 -27.9 65.2 -3.6 8 8 A E E -k 28 0B 127 -2,-0.5 21,-0.2 19,-0.2 22,-0.1 -0.948 66.4 -17.8-120.3 120.1 -30.5 64.9 -0.9 9 9 A G S S+ 0 0 61 19,-2.7 2,-0.3 -2,-0.5 21,-0.1 0.669 89.0 157.4 76.0 18.3 -34.3 64.6 -1.4 10 10 A V - 0 0 51 18,-0.3 21,-2.5 1,-0.0 2,-0.8 -0.576 38.4-150.5 -86.7 134.2 -34.0 65.9 -4.9 11 11 A R B -r 31 0C 103 -2,-0.3 21,-0.2 19,-0.2 2,-0.1 -0.928 27.8-138.3 -99.6 108.8 -36.6 65.1 -7.5 12 12 A F - 0 0 5 19,-2.2 2,-0.3 -2,-0.8 3,-0.0 -0.432 12.8-154.9 -72.5 143.8 -34.6 65.0 -10.7 13 13 A E >> - 0 0 93 -2,-0.1 3,-1.2 1,-0.0 4,-0.6 -0.765 31.7-106.3-109.1 162.7 -35.9 66.6 -13.9 14 14 A Q G >4 S+ 0 0 43 -2,-0.3 3,-0.8 1,-0.3 4,-0.2 0.813 117.4 53.9 -61.6 -38.5 -34.8 65.5 -17.4 15 15 A Q G 34 S+ 0 0 146 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.648 97.6 68.3 -73.3 -15.5 -32.6 68.5 -18.1 16 16 A D G <4 S+ 0 0 77 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 117.7 18.5 -68.8 -30.6 -30.7 67.9 -14.8 17 17 A L S X< S+ 0 0 0 -3,-0.8 3,-1.5 -4,-0.6 2,-0.6 0.039 78.7 153.4-135.3 26.1 -29.1 64.7 -16.1 18 18 A E T 3 S- 0 0 115 -3,-0.3 19,-0.1 1,-0.3 -3,-0.1 -0.463 87.6 -20.7 -71.0 109.7 -29.4 64.7 -19.9 19 19 A G T 3 S+ 0 0 62 -2,-0.6 -1,-0.3 19,-0.2 2,-0.1 0.647 103.6 161.8 69.5 17.8 -26.6 62.5 -21.3 20 20 A E < - 0 0 58 -3,-1.5 21,-1.4 -19,-0.0 2,-0.5 -0.335 36.4-146.2 -86.1 151.1 -24.8 63.0 -18.0 21 21 A Q E - b 0 41A 75 19,-0.2 -19,-3.4 -2,-0.1 2,-0.5 -0.937 14.1-161.6-111.1 127.8 -21.9 61.0 -16.4 22 22 A F E +ab 2 42A 2 19,-2.9 21,-2.3 -2,-0.5 2,-0.4 -0.951 10.1 178.1-114.0 130.4 -21.8 60.7 -12.6 23 23 A Q E -ab 3 43A 67 -21,-2.6 -19,-2.6 -2,-0.5 -18,-0.2 -0.988 68.0 -8.1-132.2 125.5 -18.7 59.7 -10.6 24 24 A G S S+ 0 0 27 19,-2.3 21,-0.2 -2,-0.4 2,-0.2 0.713 91.9 151.0 72.1 22.4 -18.4 59.4 -6.8 25 25 A C - 0 0 3 18,-0.3 21,-2.3 -21,-0.2 2,-0.4 -0.480 38.1-144.4 -92.8 158.9 -21.8 60.8 -6.2 26 26 A R E -kl 6 46B 116 -21,-2.6 -19,-2.9 19,-0.2 2,-0.5 -0.987 9.8-170.2-124.2 127.9 -24.3 60.2 -3.4 27 27 A F E -k 7 0B 0 19,-3.0 2,-0.6 -2,-0.4 -19,-0.2 -0.978 4.2-172.3-119.7 115.5 -28.1 60.2 -3.8 28 28 A I E S-k 8 0B 15 -21,-2.7 -19,-2.7 -2,-0.5 -18,-0.3 -0.955 73.5 -24.9-110.9 115.2 -30.1 60.2 -0.6 29 29 A G S S+ 0 0 25 -2,-0.6 2,-0.2 18,-0.3 27,-0.2 0.821 93.2 161.1 51.9 36.9 -33.9 59.6 -1.1 30 30 A C - 0 0 1 -21,-0.1 27,-2.2 -23,-0.1 2,-0.5 -0.547 33.8-138.9 -89.2 155.5 -33.7 61.0 -4.7 31 31 A N B +rs 11 57C 42 -21,-2.5 -19,-2.2 25,-0.2 27,-0.2 -0.955 31.9 158.9-119.6 113.2 -36.4 60.5 -7.3 32 32 A F > + 0 0 0 25,-3.5 3,-1.4 -2,-0.5 26,-0.2 0.300 29.7 151.3-106.4 5.5 -35.4 59.8 -10.9 33 33 A S T 3 + 0 0 8 24,-0.4 27,-0.2 1,-0.2 3,-0.1 0.029 64.5 3.5 -57.9 140.5 -38.7 58.1 -11.9 34 34 A W T 3 S+ 0 0 159 25,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.640 96.4 134.0 62.2 19.5 -40.0 58.2 -15.5 35 35 A L < - 0 0 14 -3,-1.4 27,-2.1 24,-0.1 2,-1.1 -0.613 65.8-110.1 -90.5 156.2 -36.9 60.0 -16.7 36 36 A D B +x 62 0D 65 -2,-0.2 27,-0.1 25,-0.2 25,-0.1 -0.770 44.2 163.1 -83.6 98.9 -34.9 59.1 -19.8 37 37 A L > + 0 0 0 25,-1.9 3,-2.4 -2,-1.1 -1,-0.1 0.182 18.7 149.4 -98.8 15.7 -31.6 57.7 -18.4 38 38 A A T 3 S+ 0 0 24 1,-0.3 -19,-0.2 28,-0.1 27,-0.2 -0.219 75.0 1.5 -55.4 134.5 -30.6 56.0 -21.7 39 39 A E T 3 S+ 0 0 141 25,-1.3 -1,-0.3 1,-0.2 27,-0.2 0.460 94.3 146.1 65.2 3.2 -26.8 55.9 -22.1 40 40 A X < - 0 0 2 -3,-2.4 27,-2.1 24,-0.2 2,-0.4 -0.262 37.5-146.3 -59.0 155.9 -26.3 57.5 -18.6 41 41 A R E -bc 21 67A 98 -21,-1.4 -19,-2.9 25,-0.2 2,-0.4 -0.998 16.8-177.3-132.1 128.6 -23.2 56.4 -16.7 42 42 A F E +bc 22 68A 0 25,-2.3 27,-2.7 -2,-0.4 2,-0.4 -0.995 7.5 178.1-127.2 123.5 -22.9 56.0 -12.9 43 43 A V E -bc 23 69A 11 -21,-2.3 -19,-2.3 -2,-0.4 -18,-0.3 -0.990 68.4 -8.4-132.1 123.7 -19.6 55.0 -11.4 44 44 A D S S+ 0 0 73 25,-2.2 2,-0.3 -2,-0.4 27,-0.2 0.893 94.2 147.0 55.9 46.2 -18.8 54.6 -7.7 45 45 A C - 0 0 4 24,-0.4 27,-2.2 -21,-0.2 2,-0.4 -0.842 41.5-141.8-112.4 146.8 -22.2 56.2 -6.8 46 46 A S B +lm 26 72B 23 -21,-2.3 -19,-3.0 -2,-0.3 27,-0.2 -0.936 21.3 172.0-108.3 131.4 -24.4 55.4 -3.8 47 47 A F + 0 0 0 25,-3.1 9,-0.4 -2,-0.4 2,-0.4 0.197 66.1 66.6-114.9 8.6 -28.2 55.4 -4.1 48 48 A Y S S- 0 0 31 24,-0.2 2,-0.8 7,-0.2 7,-0.2 -0.996 71.1-142.1-138.0 127.5 -28.9 54.0 -0.6 49 49 A D > - 0 0 29 5,-2.7 4,-2.3 -2,-0.4 5,-0.4 -0.833 12.0-159.6 -93.2 114.0 -28.3 55.7 2.7 50 50 A R T 4 S+ 0 0 190 -2,-0.8 -1,-0.2 1,-0.2 0, 0.0 0.818 85.7 46.5 -64.7 -34.9 -27.1 53.1 5.1 51 51 A E T 4 S+ 0 0 166 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.871 125.8 28.0 -76.9 -38.2 -27.9 54.9 8.4 52 52 A S T 4 S- 0 0 45 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.588 97.1-131.6 -98.3 -17.1 -31.4 56.0 7.5 53 53 A E < + 0 0 140 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.584 48.1 160.2 69.1 16.9 -32.2 53.2 5.0 54 54 A Q - 0 0 91 -5,-0.4 -5,-2.7 -6,-0.0 -1,-0.3 -0.494 20.2-164.6 -67.0 129.7 -33.5 55.7 2.5 55 55 A S - 0 0 40 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.620 15.7-115.0-105.8 169.1 -33.6 54.3 -1.1 56 56 A C - 0 0 0 -9,-0.4 21,-2.0 18,-0.3 2,-0.5 -0.786 20.5-128.0-104.5 152.8 -33.9 56.0 -4.5 57 57 A L B +st 31 77C 66 -27,-2.2 -25,-3.5 -2,-0.3 -24,-0.4 -0.886 35.2 157.6-102.8 123.7 -36.7 55.8 -7.0 58 58 A L > + 0 0 0 19,-2.8 3,-1.3 -2,-0.5 2,-0.2 -0.131 24.9 157.2-130.2 34.7 -36.0 54.9 -10.6 59 59 A Q T 3 + 0 0 54 1,-0.2 -25,-2.1 19,-0.1 21,-0.2 -0.417 68.8 1.2 -65.9 129.5 -39.5 53.6 -11.5 60 60 A G T 3 S+ 0 0 7 19,-2.6 -1,-0.2 1,-0.2 2,-0.1 0.616 92.9 155.2 73.4 10.8 -40.5 53.6 -15.1 61 61 A C < - 0 0 0 -3,-1.3 21,-1.9 18,-0.3 2,-1.0 -0.445 52.7-119.8 -69.1 141.0 -37.1 55.0 -16.1 62 62 A D B +xy 36 82D 18 -27,-2.1 -25,-1.9 19,-0.2 21,-0.1 -0.755 42.5 166.4 -72.9 105.5 -35.7 54.4 -19.6 63 63 A L > + 0 0 1 19,-2.2 3,-2.2 -2,-1.0 -1,-0.1 0.144 16.4 147.1-104.8 18.4 -32.5 52.5 -18.6 64 64 A R T 3 S- 0 0 103 1,-0.3 -25,-1.3 22,-0.1 21,-0.2 -0.360 80.8 -9.1 -66.7 124.0 -31.7 51.3 -22.1 65 65 A E T 3 S+ 0 0 119 19,-0.8 -1,-0.3 1,-0.2 21,-0.2 0.672 98.3 145.2 56.4 22.5 -27.9 51.1 -22.5 66 66 A A < - 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0 0 6 -5,-1.7 2,-0.6 -235,-0.2 -1,-0.3 -0.388 43.6-140.6 -78.7 154.3 -27.7 18.7 -20.6 430 213 B I E -j 197 0A 81 -234,-3.1 -232,-2.2 -2,-0.1 2,-0.4 -0.964 18.2-157.3-117.1 114.3 -24.4 19.6 -22.1 431 214 B V E +j 198 0A 20 -2,-0.6 -232,-0.2 -234,-0.2 -234,-0.1 -0.825 12.9 179.6-103.8 130.4 -21.4 18.4 -20.1 432 215 B F E j 199 0A 65 -234,-2.0 -232,-1.9 -2,-0.4 -2,-0.0 -0.781 360.0 360.0-117.9 161.9 -18.0 20.1 -20.4 433 216 B P 0 0 133 0, 0.0 -232,-0.4 0, 0.0 -234,-0.1 0.895 360.0 360.0 -61.4 360.0 -14.7 19.4 -18.6