==== 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 3PSS . 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) . 20192.0 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 . 13 3.0 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 . 1 0.2 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-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 . 65 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 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 . 42 2 10 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 2 2 0 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 0 120 0, 0.0 2,-0.6 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 107.2 -30.3 5.3 -1.9 2 2 A I E -a 22 0A 55 19,-2.4 21,-2.3 17,-0.3 2,-0.4 -0.829 360.0-173.7 -88.8 120.3 -28.8 7.0 -4.9 3 3 A X E -a 23 0A 160 -2,-0.6 21,-0.2 19,-0.2 22,-0.0 -0.959 49.3 -11.7-131.0 132.6 -26.6 4.4 -6.7 4 4 A D S S+ 0 0 116 19,-2.5 2,-0.3 -2,-0.4 21,-0.2 0.874 86.4 147.8 51.2 45.2 -24.2 4.3 -9.6 5 5 A X - 0 0 136 18,-0.2 21,-2.3 -3,-0.1 2,-0.5 -0.822 39.9-142.9-107.3 150.7 -25.1 7.8 -10.8 6 6 A C E -k 26 0B 73 -2,-0.3 2,-0.4 19,-0.2 21,-0.2 -0.955 14.3-173.3-114.7 129.4 -22.9 10.3 -12.5 7 7 A F E -k 27 0B 26 19,-2.9 21,-2.9 -2,-0.5 2,-0.4 -0.992 7.3-178.0-121.9 129.8 -23.2 14.0 -11.8 8 8 A E E -k 28 0B 129 -2,-0.4 21,-0.2 19,-0.2 3,-0.1 -0.990 63.8 -8.4-136.3 130.9 -21.2 16.5 -13.8 9 9 A G S S+ 0 0 57 19,-2.6 2,-0.4 -2,-0.4 21,-0.2 0.604 90.3 158.5 68.1 14.9 -20.9 20.3 -13.6 10 10 A V - 0 0 46 18,-0.4 21,-2.4 1,-0.1 2,-0.9 -0.582 39.6-156.9 -88.9 121.6 -23.7 20.3 -11.1 11 11 A R B -r 31 0C 121 -2,-0.4 21,-0.2 19,-0.2 19,-0.1 -0.840 31.5-141.7 -86.3 101.8 -24.4 23.0 -8.7 12 12 A F - 0 0 6 19,-2.2 2,-0.3 -2,-0.9 3,-0.0 -0.291 11.9-153.2 -70.1 149.1 -26.4 21.1 -6.0 13 13 A E > - 0 0 136 1,-0.0 3,-1.3 22,-0.0 4,-0.2 -0.804 33.2-102.0-114.5 163.8 -29.4 22.4 -4.2 14 14 A Q G > S+ 0 0 86 -2,-0.3 3,-1.6 1,-0.3 4,-0.1 0.819 117.2 59.9 -57.7 -37.7 -30.5 21.3 -0.7 15 15 A Q G > S+ 0 0 78 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.781 91.7 69.3 -61.5 -29.7 -33.4 19.1 -2.0 16 16 A D G < S+ 0 0 81 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.547 100.4 49.1 -65.7 -8.6 -30.9 17.0 -4.0 17 17 A L G < S+ 0 0 4 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.303 74.8 98.3-117.0 7.0 -29.5 15.6 -0.6 18 18 A E S < S+ 0 0 173 -3,-1.3 2,-1.9 1,-0.2 -2,-0.1 0.862 73.9 71.5 -66.4 -35.8 -32.7 14.6 1.3 19 19 A G S S- 0 0 40 -4,-0.3 -17,-0.3 1,-0.2 -1,-0.2 -0.646 84.3-163.7 -71.5 83.5 -32.0 11.0 0.1 20 20 A E + 0 0 87 -2,-1.9 21,-2.8 20,-0.1 2,-0.4 0.473 54.7 82.1 -58.5 -7.3 -29.1 11.0 2.5 21 21 A Q E + b 0 41A 90 19,-0.2 -19,-2.4 21,-0.0 2,-0.3 -0.860 48.4 176.3-114.8 136.1 -27.3 8.0 1.0 22 22 A F E +ab 2 42A 4 19,-2.7 21,-2.0 -2,-0.4 2,-0.3 -0.994 2.2 179.1-134.2 141.1 -25.0 7.6 -2.0 23 23 A Q E -ab 3 43A 65 -21,-2.3 -19,-2.5 -2,-0.3 -18,-0.2 -0.962 66.8 -5.7-147.2 124.0 -23.2 4.5 -3.3 24 24 A G S S+ 0 0 27 19,-2.1 21,-0.2 -2,-0.3 2,-0.2 0.738 91.2 147.9 69.7 24.0 -20.9 4.0 -6.3 25 25 A C - 0 0 2 18,-0.4 21,-2.7 -21,-0.2 2,-0.4 -0.502 40.5-142.2 -92.2 159.5 -21.5 7.6 -7.6 26 26 A R E -kl 6 46B 91 -21,-2.3 -19,-2.9 19,-0.2 2,-0.5 -0.989 8.9-169.5-121.0 129.3 -19.3 10.0 -9.5 27 27 A F E -k 7 0B 0 19,-3.2 2,-0.6 -2,-0.4 -19,-0.2 -0.967 10.0-175.5-118.2 111.4 -19.2 13.7 -8.9 28 28 A I E S-k 8 0B 11 -21,-2.9 -19,-2.6 -2,-0.5 -18,-0.4 -0.941 70.7 -19.4-113.3 114.6 -17.2 15.6 -11.6 29 29 A G S S+ 0 0 22 -2,-0.6 2,-0.3 18,-0.2 -1,-0.2 0.884 95.2 160.4 57.1 43.5 -16.7 19.3 -11.1 30 30 A C - 0 0 3 -21,-0.2 27,-2.2 17,-0.2 2,-0.6 -0.704 35.5-142.6-103.0 150.4 -19.7 19.6 -8.7 31 31 A N B +rs 11 57C 41 -21,-2.4 -19,-2.2 -2,-0.3 27,-0.2 -0.947 28.2 160.7-116.3 112.8 -20.5 22.3 -6.2 32 32 A F > + 0 0 1 25,-3.5 3,-1.6 -2,-0.6 26,-0.2 0.236 31.4 152.1-101.5 7.6 -22.0 21.3 -2.8 33 33 A S T 3 + 0 0 3 24,-0.4 27,-0.2 1,-0.2 3,-0.1 -0.048 64.5 1.1 -60.9 138.9 -21.0 24.6 -1.2 34 34 A W T 3 S+ 0 0 142 25,-2.6 -1,-0.2 1,-0.2 2,-0.2 0.599 98.4 130.4 65.0 18.3 -23.0 26.0 1.7 35 35 A L < - 0 0 17 -3,-1.6 27,-2.0 24,-0.2 2,-1.1 -0.645 66.6-110.8 -97.7 156.1 -25.4 23.0 1.8 36 36 A D B +x 62 0D 75 -2,-0.2 27,-0.1 25,-0.2 25,-0.1 -0.752 43.1 161.9 -86.8 98.7 -26.4 21.0 4.8 37 37 A L > + 0 0 0 25,-1.8 3,-2.4 -2,-1.1 -1,-0.1 0.203 21.7 151.6 -98.0 16.0 -24.8 17.5 4.3 38 38 A A T 3 S+ 0 0 20 1,-0.3 27,-0.2 24,-0.2 25,-0.1 -0.186 72.0 1.7 -54.1 132.2 -25.2 16.6 8.0 39 39 A E T 3 S+ 0 0 112 25,-1.6 -1,-0.3 1,-0.2 27,-0.1 0.472 93.2 149.4 66.4 7.3 -25.5 12.9 8.5 40 40 A C < - 0 0 2 -3,-2.4 27,-2.9 24,-0.2 2,-0.5 -0.398 35.8-145.8 -69.0 149.1 -25.1 12.1 4.7 41 41 A R E -bc 21 67A 76 -21,-2.8 -19,-2.7 25,-0.2 2,-0.5 -0.974 16.9-179.1-126.9 118.8 -23.5 8.8 3.8 42 42 A F E -bc 22 68A 0 25,-3.1 27,-3.0 -2,-0.5 2,-0.4 -0.984 3.8-177.7-120.2 124.2 -21.2 8.3 0.8 43 43 A V E -bc 23 69A 28 -21,-2.0 -19,-2.1 -2,-0.5 -18,-0.4 -0.971 69.1 -11.1-122.3 136.8 -19.7 4.8 0.0 44 44 A D S S+ 0 0 76 25,-2.1 2,-0.3 -2,-0.4 27,-0.2 0.842 94.2 149.4 43.5 45.9 -17.3 4.1 -2.9 45 45 A C - 0 0 4 24,-0.4 27,-2.2 -21,-0.2 2,-0.5 -0.797 40.8-138.3-106.6 151.0 -17.9 7.5 -4.5 46 46 A S B +lm 26 72B 14 -21,-2.7 -19,-3.2 -2,-0.3 27,-0.1 -0.930 23.8 170.3-109.3 131.8 -15.6 9.7 -6.6 47 47 A F + 0 0 0 25,-2.8 9,-0.5 -2,-0.5 2,-0.4 0.148 69.2 63.3-115.6 13.9 -15.4 13.5 -6.1 48 48 A Y - 0 0 46 24,-0.2 2,-0.5 7,-0.2 7,-0.2 -0.969 66.4-151.3-147.4 124.8 -12.3 13.8 -8.4 49 49 A D B >> -A 54 0E 30 5,-2.2 4,-2.2 -2,-0.4 5,-0.6 -0.850 7.3-157.8-100.0 123.3 -11.9 13.0 -12.1 50 50 A R T 45S+ 0 0 72 -2,-0.5 -1,-0.1 2,-0.2 0, 0.0 0.909 87.7 42.2 -71.8 -48.4 -8.4 12.0 -13.2 51 51 A E T 45S+ 0 0 201 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.893 126.3 37.4 -65.9 -40.7 -8.2 12.8 -17.0 52 52 A S T 45S- 0 0 51 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.799 94.7-144.5 -73.3 -36.9 -10.0 16.0 -16.3 53 53 A E T <5 + 0 0 142 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.640 46.4 153.5 68.5 20.1 -8.3 16.8 -13.0 54 54 A Q B < -A 49 0E 73 -5,-0.6 -5,-2.2 1,-0.0 -1,-0.3 -0.560 22.3-173.1 -81.8 141.6 -11.6 18.3 -11.9 55 55 A S - 0 0 46 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.674 19.8-106.5-124.5 177.1 -12.4 18.4 -8.2 56 56 A C - 0 0 0 -9,-0.5 21,-2.0 18,-0.3 2,-0.5 -0.774 17.7-131.7-109.6 155.9 -15.5 19.3 -6.1 57 57 A L B +st 31 77C 63 -27,-2.2 -25,-3.5 -2,-0.3 -24,-0.4 -0.912 29.1 162.1-106.0 128.5 -16.3 22.3 -3.9 58 58 A L > + 0 0 0 19,-3.0 3,-1.5 -2,-0.5 2,-0.1 -0.188 22.4 163.9-130.5 38.5 -17.7 21.7 -0.4 59 59 A Q T 3 - 0 0 61 1,-0.3 -25,-2.6 21,-0.1 21,-0.2 -0.373 68.7 -5.1 -70.6 132.5 -17.0 25.2 1.0 60 60 A G T 3 S+ 0 0 9 19,-2.5 -1,-0.3 -27,-0.2 20,-0.1 0.654 92.9 157.3 61.9 18.7 -18.8 26.1 4.2 61 61 A C < - 0 0 0 -3,-1.5 21,-2.5 18,-0.2 2,-0.9 -0.329 51.5-118.2 -65.0 151.7 -20.9 22.9 4.2 62 62 A D B +xy 36 82D 19 -27,-2.0 -25,-1.8 19,-0.2 -24,-0.2 -0.876 44.9 163.3 -85.9 105.5 -22.5 21.5 7.3 63 63 A L > + 0 0 1 19,-3.0 3,-1.7 -2,-0.9 2,-0.1 0.085 16.3 146.1-110.2 20.9 -20.6 18.2 7.3 64 64 A R T 3 S- 0 0 105 1,-0.3 -25,-1.6 18,-0.2 21,-0.2 -0.397 79.2 -5.0 -69.3 131.4 -21.4 17.3 11.0 65 65 A E T 3 S+ 0 0 120 19,-1.3 -1,-0.3 -27,-0.2 21,-0.1 0.554 99.3 144.7 56.7 14.6 -21.8 13.5 11.5 66 66 A A < - 0 0 0 -3,-1.7 21,-2.4 -27,-0.1 2,-0.4 -0.369 37.6-144.6 -72.5 158.8 -21.4 13.0 7.7 67 67 A S E -cd 41 87A 8 -27,-2.9 -25,-3.1 19,-0.2 2,-0.5 -0.986 20.2-178.5-139.7 125.1 -19.6 9.9 6.5 68 68 A F E -cd 42 88A 5 19,-2.8 21,-2.4 -2,-0.4 2,-0.5 -0.985 10.9-175.8-121.8 116.3 -17.3 9.2 3.5 69 69 A L E S-cd 43 89A 29 -27,-3.0 -25,-2.1 -2,-0.5 -24,-0.4 -0.968 70.4 -16.2-116.9 127.2 -16.1 5.6 3.1 70 70 A R S S+ 0 0 113 19,-2.6 2,-0.3 -2,-0.5 21,-0.2 0.888 95.1 152.0 46.1 48.0 -13.6 4.6 0.4 71 71 A C - 0 0 2 18,-0.3 21,-1.7 -27,-0.2 2,-1.1 -0.802 51.5-126.7-105.0 148.3 -14.3 7.8 -1.5 72 72 A D B +mn 46 92B 47 -27,-2.2 -25,-2.8 -2,-0.3 -24,-0.2 -0.809 38.2 162.7 -92.8 95.3 -11.9 9.7 -3.7 73 73 A L > + 0 0 3 19,-3.1 3,-2.2 -2,-1.1 20,-0.2 -0.016 15.0 161.6-100.1 27.6 -11.9 13.2 -2.2 74 74 A T T 3 S- 0 0 8 18,-0.3 -18,-0.3 1,-0.3 21,-0.2 -0.231 72.2 -5.1 -53.0 132.5 -8.7 14.2 -4.0 75 75 A M T 3 S+ 0 0 98 19,-3.4 -1,-0.3 1,-0.2 20,-0.1 0.557 89.8 161.9 58.8 14.1 -8.4 18.1 -4.0 76 76 A A < - 0 0 0 -3,-2.2 21,-2.6 18,-0.2 2,-0.9 -0.408 37.2-134.9 -65.5 136.9 -11.8 18.6 -2.5 77 77 A D B +tu 57 97C 29 -21,-2.0 -19,-3.0 19,-0.2 21,-0.1 -0.821 38.4 158.4 -96.5 100.1 -12.3 22.1 -1.0 78 78 A C > + 0 0 6 19,-2.2 3,-1.7 -2,-0.9 -1,-0.1 0.049 23.0 150.9-103.8 23.8 -13.9 21.7 2.4 79 79 A S T 3 + 0 0 5 1,-0.2 -19,-2.5 -20,-0.1 -18,-0.2 -0.269 66.7 9.5 -62.4 142.7 -12.7 25.1 3.7 80 80 A R T 3 S+ 0 0 139 19,-1.9 -1,-0.2 1,-0.2 21,-0.1 0.442 96.1 142.0 71.0 5.7 -14.9 26.8 6.3 81 81 A S < - 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