==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 29-MAY-12 4AVR . COMPND 2 MOLECULE: PA4485; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PA01; . AUTHOR S.A.MCMAHON,L.MOYNIE,H.LIU,F.DUTHIE,M.S.ALPHEY,J.H.NAISMITH . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0 3 1 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 2 0 0 6 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 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 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 0 145 0, 0.0 2,-0.3 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 148.5 18.6 -4.4 -3.7 2 2 A D E -A 91 0A 95 89,-2.1 89,-2.6 2,-0.0 2,-0.3 -0.903 360.0-147.0-140.2 167.9 20.8 -7.1 -2.4 3 3 A T E +A 90 0A 73 -2,-0.3 2,-0.3 87,-0.2 87,-0.2 -0.994 32.1 116.6-139.5 143.9 20.7 -10.9 -2.0 4 4 A G E -A 89 0A 16 85,-1.8 85,-3.0 -2,-0.3 2,-0.3 -0.966 61.3 -52.1-179.2-172.0 22.0 -13.5 0.4 5 5 A E E -Ab 88 67A 61 61,-2.7 63,-2.4 -2,-0.3 64,-1.4 -0.617 44.6-153.3 -79.5 139.0 21.0 -16.2 2.9 6 6 A A E +Ab 87 69A 0 81,-2.9 81,-1.6 -2,-0.3 2,-0.2 -0.881 14.7 178.5-104.9 146.4 18.6 -15.3 5.7 7 7 A S E - b 0 70A 0 62,-1.7 64,-2.8 -2,-0.4 2,-0.3 -0.767 19.5-127.6-126.8 178.0 18.5 -17.1 9.0 8 8 A Y E - b 0 71A 0 77,-0.4 98,-2.3 62,-0.2 99,-1.9 -0.972 24.2-105.5-132.5 150.8 16.4 -16.7 12.2 9 9 A Y - 0 0 3 62,-2.0 2,-0.2 -2,-0.3 95,-0.1 -0.409 29.7-123.9 -67.0 142.1 17.4 -16.3 15.8 10 10 A G > - 0 0 0 -2,-0.1 3,-1.8 1,-0.1 94,-0.2 -0.512 23.8-115.7 -74.6 157.2 17.0 -19.1 18.3 11 11 A S G > S+ 0 0 5 1,-0.3 3,-1.8 2,-0.2 93,-0.2 0.667 107.4 81.8 -68.5 -16.5 14.9 -18.5 21.4 12 12 A R G 3 S+ 0 0 48 91,-2.4 -1,-0.3 1,-0.3 92,-0.1 0.758 90.1 54.6 -58.8 -23.5 18.0 -18.9 23.5 13 13 A H G X S+ 0 0 31 -3,-1.8 3,-2.3 90,-0.3 11,-0.4 0.550 78.4 122.7 -83.4 -12.5 18.7 -15.3 22.6 14 14 A A T < S+ 0 0 25 -3,-1.8 11,-0.2 1,-0.3 3,-0.1 -0.302 80.4 13.7 -61.5 131.0 15.4 -14.0 23.9 15 15 A G T 3 S+ 0 0 26 9,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.267 99.5 118.7 88.4 -11.5 15.9 -11.3 26.5 16 16 A L S < S- 0 0 70 -3,-2.3 8,-2.9 8,-0.2 -1,-0.3 -0.618 73.0 -94.2 -89.5 150.5 19.6 -10.8 25.7 17 17 A R B -G 23 0B 160 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.423 31.9-152.6 -70.5 129.9 20.9 -7.5 24.4 18 18 A T > - 0 0 9 4,-2.7 3,-1.7 -2,-0.2 41,-0.2 -0.404 38.8 -97.4 -80.9 170.7 21.2 -6.8 20.8 19 19 A A T 3 S+ 0 0 56 1,-0.3 40,-0.2 -2,-0.1 -1,-0.1 0.785 125.6 59.0 -62.8 -27.5 23.8 -4.3 19.5 20 20 A S T 3 S- 0 0 40 38,-1.6 -1,-0.3 2,-0.2 39,-0.1 0.565 118.9-111.6 -74.2 -12.4 21.0 -1.6 19.4 21 21 A G S < S+ 0 0 33 -3,-1.7 2,-0.1 1,-0.4 -2,-0.1 0.056 79.4 124.6 99.7 -24.0 20.4 -2.1 23.1 22 22 A E - 0 0 78 36,-0.3 -4,-2.7 -5,-0.1 -1,-0.4 -0.446 68.3-115.9 -67.2 141.6 17.0 -3.7 22.7 23 23 A R B -G 17 0B 136 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.1 -0.610 42.1-100.2 -71.3 134.2 16.5 -7.1 24.2 24 24 A Y - 0 0 7 -8,-2.9 -9,-2.7 -11,-0.4 -8,-0.2 -0.389 42.7-169.7 -61.1 130.7 15.9 -9.6 21.5 25 25 A N > - 0 0 78 -11,-0.2 3,-2.1 -10,-0.1 5,-0.2 -0.958 19.6-155.6-127.2 110.1 12.2 -10.3 21.2 26 26 A P T 3 S+ 0 0 18 0, 0.0 48,-2.3 0, 0.0 49,-0.2 0.712 96.2 58.0 -55.5 -23.5 11.0 -13.2 19.0 27 27 A N T 3 S+ 0 0 105 46,-0.1 2,-0.1 47,-0.1 -3,-0.0 0.479 91.0 87.5 -86.2 -6.2 7.6 -11.5 18.7 28 28 A A S < S- 0 0 25 -3,-2.1 2,-0.8 1,-0.0 47,-0.5 -0.444 84.0-120.7 -84.5 165.4 9.1 -8.3 17.2 29 29 A M + 0 0 71 -2,-0.1 27,-2.1 45,-0.1 2,-0.2 -0.648 65.9 135.1-104.5 71.3 9.7 -7.8 13.5 30 30 A T E -c 56 0A 0 -2,-0.8 42,-2.1 25,-0.3 2,-0.3 -0.730 30.9-175.5-122.2 164.5 13.4 -7.1 13.8 31 31 A A E -cD 57 71A 0 25,-1.8 27,-2.6 -2,-0.2 28,-1.0 -0.991 23.4-118.4-157.1 161.1 16.6 -8.2 12.2 32 32 A A E +cD 59 70A 0 38,-2.7 38,-1.4 -2,-0.3 2,-0.3 -0.870 30.9 168.4-102.0 138.9 20.4 -8.1 12.2 33 33 A H - 0 0 21 26,-2.0 36,-0.1 -2,-0.4 28,-0.1 -0.979 37.5-125.4-147.0 150.5 22.4 -6.6 9.3 34 34 A R S S+ 0 0 108 34,-0.4 27,-0.1 -2,-0.3 35,-0.1 0.811 97.4 3.2 -69.1 -31.5 26.1 -5.7 9.2 35 35 A T S S+ 0 0 109 2,-0.1 -1,-0.1 25,-0.1 3,-0.1 0.629 88.7 112.5-133.9 -22.4 25.9 -2.1 8.2 36 36 A L S S- 0 0 29 1,-0.1 -3,-0.2 4,-0.0 3,-0.1 -0.299 75.1 -99.7 -62.6 143.1 22.3 -0.6 7.9 37 37 A P > - 0 0 86 0, 0.0 3,-2.2 0, 0.0 20,-0.3 -0.298 44.8 -93.1 -59.9 145.7 21.6 2.0 10.6 38 38 A F T 3 S+ 0 0 90 1,-0.3 20,-0.2 20,-0.1 3,-0.1 -0.404 115.8 30.3 -58.8 131.9 19.6 0.8 13.6 39 39 A G T 3 S+ 0 0 43 18,-3.1 -1,-0.3 1,-0.3 19,-0.1 0.186 84.2 143.0 99.5 -14.5 15.9 1.5 12.9 40 40 A A < - 0 0 24 -3,-2.2 17,-2.5 17,-0.2 2,-0.4 -0.340 47.1-133.4 -58.8 136.1 16.2 1.1 9.1 41 41 A R E -E 56 0A 139 15,-0.2 53,-2.9 -3,-0.1 2,-0.4 -0.816 25.5-174.4 -94.0 134.8 13.2 -0.7 7.5 42 42 A V E -EF 55 93A 0 13,-2.7 13,-2.6 -2,-0.4 2,-0.6 -0.995 21.8-140.2-134.7 127.2 14.0 -3.5 5.1 43 43 A R E -EF 54 92A 102 49,-2.7 49,-1.7 -2,-0.4 2,-0.5 -0.803 23.1-164.1 -84.4 124.0 11.6 -5.5 2.8 44 44 A V E -EF 53 91A 0 9,-2.9 9,-2.1 -2,-0.6 2,-0.5 -0.943 4.0-167.0-112.0 127.0 12.8 -9.1 2.8 45 45 A T E -EF 52 90A 29 45,-2.6 45,-2.1 -2,-0.5 2,-0.6 -0.971 18.7-137.2-117.7 122.8 11.5 -11.5 0.2 46 46 A N E >> - F 0 89A 3 5,-2.8 4,-2.5 -2,-0.5 3,-0.7 -0.684 13.0-156.9 -74.1 114.1 12.0 -15.2 0.5 47 47 A L T 34 S+ 0 0 58 41,-2.8 -1,-0.2 -2,-0.6 42,-0.1 0.680 86.8 62.4 -73.7 -14.4 13.0 -16.3 -3.0 48 48 A D T 34 S+ 0 0 122 40,-0.5 -1,-0.2 1,-0.1 41,-0.1 0.783 126.7 8.7 -79.7 -26.1 11.9 -19.9 -2.5 49 49 A N T <4 S- 0 0 63 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.1 0.418 93.5-122.3-132.1 -2.9 8.2 -18.9 -1.9 50 50 A R < + 0 0 181 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.516 61.0 145.1 66.8 12.0 7.9 -15.2 -2.8 51 51 A R - 0 0 123 -5,-0.3 -5,-2.8 28,-0.3 2,-0.3 -0.494 29.6-164.1 -75.1 147.3 6.6 -14.3 0.6 52 52 A S E + E 0 45A 62 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.964 16.2 175.4-137.6 151.3 7.7 -11.0 2.0 53 53 A V E - E 0 44A 18 -9,-2.1 -9,-2.9 -2,-0.3 2,-0.5 -0.928 27.6-123.2-140.0 165.6 7.9 -9.1 5.3 54 54 A V E - E 0 43A 38 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.974 31.6-176.4-113.1 127.8 9.2 -5.7 6.5 55 55 A V E - E 0 42A 2 -13,-2.6 -13,-2.7 -2,-0.5 2,-0.4 -0.825 21.7-131.2-119.5 161.1 11.7 -5.8 9.4 56 56 A R E -cE 30 41A 84 -27,-2.1 -25,-1.8 -2,-0.3 2,-0.4 -0.950 27.2-120.7-111.7 131.0 13.5 -3.1 11.4 57 57 A I E +c 31 0A 0 -17,-2.5 -18,-3.1 -2,-0.4 -17,-0.2 -0.566 48.2 147.0 -76.2 125.3 17.3 -3.4 11.9 58 58 A N E + 0 0 2 -27,-2.6 -38,-1.6 -2,-0.4 2,-0.3 0.239 56.1 43.2-138.9 14.2 18.3 -3.6 15.6 59 59 A D E -c 32 0A 17 -28,-1.0 -26,-2.0 -40,-0.2 2,-0.2 -0.968 66.9-117.4-156.0 165.1 21.4 -5.8 15.7 60 60 A R + 0 0 76 -2,-0.3 -26,-0.2 -28,-0.2 3,-0.1 -0.387 56.8 48.0-106.1-174.5 24.7 -6.7 14.1 61 61 A G - 0 0 8 1,-0.3 2,-0.2 -2,-0.2 9,-0.1 -0.391 20.9-176.5 76.9-177.2 25.9 -9.9 12.5 62 62 A P - 0 0 5 0, 0.0 -1,-0.3 0, 0.0 46,-0.1 0.414 32.5-158.2 -65.1 171.2 25.3 -12.0 10.6 63 63 A F + 0 0 108 44,-0.4 2,-0.4 -2,-0.2 45,-0.0 0.216 60.9 70.4-114.0 7.7 28.4 -14.0 11.3 64 64 A R S > S- 0 0 76 3,-0.2 3,-2.0 47,-0.0 45,-0.0 -0.996 83.5-108.5-129.2 138.6 28.9 -16.1 8.2 65 65 A R T 3 S+ 0 0 239 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.360 109.1 29.5 -54.7 135.1 30.0 -15.2 4.6 66 66 A G T 3 S+ 0 0 62 1,-0.2 -61,-2.7 -63,-0.1 2,-0.5 0.207 94.4 107.8 93.0 -15.3 27.0 -15.5 2.4 67 67 A R E < +b 5 0A 14 -3,-2.0 -1,-0.2 -63,-0.2 -61,-0.2 -0.875 39.7 174.6 -97.9 123.8 24.5 -14.7 5.1 68 68 A I E + 0 0 13 -63,-2.4 -34,-0.4 -2,-0.5 2,-0.3 0.726 59.7 12.2-102.4 -28.3 23.0 -11.2 4.7 69 69 A I E -b 6 0A 0 -64,-1.4 -62,-1.7 -36,-0.1 2,-0.4 -0.995 50.6-153.5-154.6 144.0 20.3 -11.0 7.4 70 70 A D E -bD 7 32A 0 -38,-1.4 -38,-2.7 -2,-0.3 -62,-0.2 -0.997 26.5-163.5-118.6 126.3 19.1 -12.7 10.5 71 71 A V E -bD 8 31A 0 -64,-2.8 -62,-2.0 -2,-0.4 -40,-0.2 -0.680 21.0 -98.7-113.1 161.4 15.4 -12.2 11.4 72 72 A S > - 0 0 0 -42,-2.1 4,-2.4 -2,-0.2 5,-0.2 -0.225 39.4-105.4 -66.3 164.4 13.2 -12.7 14.4 73 73 A R H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.916 122.1 51.7 -56.7 -46.0 11.0 -15.8 14.8 74 74 A K H > S+ 0 0 84 -48,-2.3 4,-2.0 -46,-0.4 -1,-0.2 0.900 110.0 49.0 -61.6 -40.4 7.9 -13.8 13.9 75 75 A A H > S+ 0 0 0 -47,-0.5 4,-1.8 -49,-0.2 -1,-0.2 0.900 108.2 54.4 -64.6 -40.2 9.5 -12.5 10.8 76 76 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.5 0.881 106.2 52.5 -61.2 -37.9 10.6 -16.1 9.9 77 77 A E H ><5S+ 0 0 43 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.937 108.8 49.4 -60.3 -46.4 6.9 -17.2 10.2 78 78 A G H 3<5S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.814 112.4 48.9 -62.9 -29.9 5.9 -14.4 7.8 79 79 A L H 3<5S- 0 0 0 -4,-1.8 -28,-0.3 -5,-0.1 -1,-0.3 0.490 108.9-124.8 -85.7 -6.0 8.6 -15.6 5.4 80 80 A G T <<5S+ 0 0 33 -3,-1.2 4,-0.3 -4,-0.5 -3,-0.2 0.829 76.1 120.9 64.3 33.7 7.6 -19.2 5.6 81 81 A M >< + 0 0 0 -5,-2.4 4,-2.1 -6,-0.1 -4,-0.2 0.239 28.8 104.7-113.8 12.0 11.1 -20.2 6.6 82 82 A I T 4 S+ 0 0 32 -6,-0.4 -1,-0.1 1,-0.2 -5,-0.1 0.933 91.8 34.2 -61.5 -47.6 10.6 -21.9 10.1 83 83 A R T 4 S+ 0 0 203 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.870 118.5 50.7 -77.5 -37.3 11.0 -25.4 8.8 84 84 A S T 4 S- 0 0 58 -4,-0.3 2,-1.6 1,-0.2 -2,-0.2 0.802 88.4-156.9 -70.0 -27.7 13.6 -24.6 6.1 85 85 A G S < S+ 0 0 1 -4,-2.1 -77,-0.4 -9,-0.1 2,-0.3 -0.257 70.2 34.2 83.8 -51.7 15.7 -22.7 8.7 86 86 A V + 0 0 43 -2,-1.6 -79,-0.2 -79,-0.1 -81,-0.0 -0.877 67.1 178.9-127.1 163.9 17.4 -20.7 6.1 87 87 A A E -A 6 0A 3 -81,-1.6 -81,-2.9 -2,-0.3 2,-0.3 -0.965 35.9-103.4-158.7 149.8 16.3 -19.3 2.7 88 88 A P E -A 5 0A 49 0, 0.0 -41,-2.8 0, 0.0 -40,-0.5 -0.617 50.1-174.1 -71.2 134.5 17.7 -17.2 -0.1 89 89 A V E -AF 4 46A 0 -85,-3.0 -85,-1.8 -2,-0.3 2,-0.4 -0.941 28.7-140.9-132.0 152.7 16.3 -13.7 0.2 90 90 A R E -AF 3 45A 106 -45,-2.1 -45,-2.6 -2,-0.3 2,-0.4 -0.879 25.4-162.3 -97.3 141.7 16.2 -10.4 -1.6 91 91 A I E -AF 2 44A 8 -89,-2.6 -89,-2.1 -2,-0.4 2,-0.4 -0.973 10.2-175.6-124.0 146.2 16.5 -7.3 0.7 92 92 A E E - 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