==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, MEMBRANE PROTEIN 21-SEP-00 1FW3 . COMPND 2 MOLECULE: OUTER MEMBRANE PHOSPHOLIPASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.J.SNIJDER,R.L.KINGMA,K.H.KALK,N.DEKKER,M.R.EGMOND, . 500 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 76.0 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 . 266 53.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 4 0.8 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 . 38 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 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 . 3 2 0 2 2 2 6 0 6 2 0 4 2 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 0 0 0 0 0 0 0 0 0 2 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 13 A A 0 0 133 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 -59.1 -19.8 10.1 35.8 2 14 A V > - 0 0 47 6,-0.1 3,-1.2 2,-0.1 7,-0.2 0.916 360.0-110.8 60.6 103.4 -18.0 10.2 39.2 3 15 A R T 3 S+ 0 0 106 1,-0.2 3,-0.1 248,-0.0 248,-0.1 -0.334 94.8 12.3 -61.9 138.5 -15.0 12.6 39.0 4 16 A G T 3 S+ 0 0 22 1,-0.2 2,-0.8 245,-0.1 -1,-0.2 0.310 86.0 135.2 81.8 -10.7 -11.5 11.1 39.2 5 17 A S <> - 0 0 5 -3,-1.2 4,-1.5 1,-0.2 -1,-0.2 -0.656 30.3-177.7 -78.1 107.9 -12.7 7.5 38.8 6 18 A I H > S+ 0 0 18 -2,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.970 82.6 43.3 -68.0 -54.0 -10.4 5.9 36.3 7 19 A I H > S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 98,-0.2 0.902 114.2 49.6 -61.2 -43.2 -12.2 2.6 36.2 8 20 A A H >4 S+ 0 0 29 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.964 113.8 45.1 -62.0 -52.5 -15.8 4.0 36.0 9 21 A N H 3< S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.905 108.2 59.6 -52.6 -43.6 -14.9 6.4 33.2 10 22 A M H 3< 0 0 1 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.608 360.0 360.0 -64.5 -13.6 -13.1 3.5 31.5 11 23 A L << 0 0 66 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.547 360.0 360.0-102.1 360.0 -16.4 1.6 31.5 12 ! 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 13 31 A T 0 0 96 0, 0.0 2,-0.3 0, 0.0 254,-0.2 0.000 360.0 360.0 360.0 130.8 -11.7 9.2 21.8 14 32 A L B -A 266 0A 10 252,-2.9 252,-1.9 43,-0.0 43,-0.1 -0.738 360.0-120.1-107.8 153.4 -8.9 8.0 24.1 15 33 A Y E -B 56 0B 40 41,-0.7 41,-3.0 -2,-0.3 2,-0.1 -0.783 18.5-139.1 -97.6 127.5 -9.0 7.3 27.8 16 34 A P E +B 55 0B 20 0, 0.0 39,-0.3 0, 0.0 3,-0.1 -0.478 19.6 178.0 -78.4 160.0 -6.8 9.1 30.3 17 35 A Y + 0 0 17 37,-1.8 38,-0.1 1,-0.5 39,-0.1 0.546 68.4 3.4-116.8 -77.4 -5.3 7.2 33.2 18 36 A D S S- 0 0 18 1,-0.2 -1,-0.5 37,-0.1 36,-0.2 -0.135 106.0 -59.7 -94.0-165.9 -3.0 9.5 35.3 19 37 A T - 0 0 8 -3,-0.1 2,-0.4 34,-0.1 -1,-0.2 -0.380 43.6-146.1 -78.0 157.4 -2.7 13.2 34.6 20 38 A N + 0 0 4 228,-1.1 227,-2.1 33,-0.1 2,-0.3 -0.992 34.6 142.3-123.1 135.7 -1.3 14.6 31.2 21 39 A Y E -CD 52 246B 15 31,-2.0 31,-2.2 -2,-0.4 2,-0.4 -0.992 39.2-145.8-169.1 160.9 0.7 17.8 31.3 22 40 A L E +CD 51 245B 83 223,-2.3 223,-2.1 -2,-0.3 2,-0.3 -0.999 29.1 167.2-137.5 127.1 3.6 19.8 29.9 23 41 A I E -CD 50 244B 3 27,-2.8 27,-2.5 -2,-0.4 2,-0.6 -0.971 35.5-125.9-142.4 155.4 5.6 22.2 32.1 24 42 A Y E -CD 49 243B 106 219,-2.7 219,-1.7 -2,-0.3 2,-0.2 -0.924 41.6-170.3-101.8 117.0 8.9 24.2 32.1 25 43 A T E -CD 48 242B 2 23,-2.7 23,-1.2 -2,-0.6 2,-0.4 -0.721 27.4-160.5-115.7 161.9 11.0 23.3 35.1 26 44 A Q E -CD 47 241B 99 215,-2.3 215,-1.6 -2,-0.2 2,-0.2 -0.968 19.2-153.7-137.0 116.3 14.1 24.3 37.1 27 45 A T E - D 0 240B 1 19,-2.7 213,-0.3 -2,-0.4 3,-0.1 -0.632 21.7-128.6 -91.0 150.7 15.7 21.7 39.5 28 46 A S S S+ 0 0 64 211,-2.0 2,-0.3 1,-0.3 212,-0.1 0.837 94.6 0.3 -66.1 -34.6 17.8 22.6 42.6 29 47 A D - 0 0 77 210,-0.1 2,-0.6 17,-0.1 -1,-0.3 -0.978 68.1-132.8-155.9 147.0 20.5 20.3 41.3 30 48 A L - 0 0 7 -2,-0.3 2,-2.7 -3,-0.1 3,-0.2 -0.896 24.0-126.8-106.0 120.5 21.1 18.0 38.2 31 49 A N > + 0 0 12 -2,-0.6 4,-0.7 1,-0.2 3,-0.4 -0.269 41.6 161.3 -65.8 71.1 22.4 14.5 38.8 32 50 A K T 4 + 0 0 86 -2,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.797 64.9 69.1 -60.4 -31.4 25.4 14.6 36.4 33 51 A E T >4 S+ 0 0 162 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.917 97.6 46.4 -54.9 -53.5 27.0 11.6 38.2 34 52 A A T 34 S+ 0 0 20 -3,-0.4 -1,-0.2 1,-0.3 3,-0.2 0.721 120.0 40.6 -65.3 -24.3 24.5 9.0 37.0 35 53 A I T >< S+ 0 0 0 -4,-0.7 3,-1.7 -3,-0.4 6,-0.3 0.048 76.4 118.4-112.7 25.7 24.6 10.2 33.4 36 54 A A T < + 0 0 66 -3,-1.4 6,-0.2 1,-0.3 -1,-0.1 0.759 65.8 68.1 -65.2 -24.8 28.4 10.9 33.2 37 55 A S T 3 S+ 0 0 73 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 0.617 81.2 93.1 -70.9 -13.4 28.8 8.3 30.4 38 56 A Y S X S- 0 0 25 -3,-1.7 3,-0.8 1,-0.1 4,-0.3 -0.659 79.5-135.5 -79.3 137.8 26.8 10.6 28.1 39 57 A D G > S+ 0 0 90 -2,-0.3 3,-0.5 1,-0.2 4,-0.2 0.900 105.3 45.3 -58.2 -41.7 29.1 12.9 26.1 40 58 A W G > S+ 0 0 7 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.592 84.8 100.8 -77.8 -12.5 27.0 16.0 26.8 41 59 A A G X S+ 0 0 3 -3,-0.8 3,-1.1 -6,-0.3 -1,-0.2 0.758 73.3 58.4 -48.0 -40.3 26.6 15.2 30.5 42 60 A E G < S+ 0 0 146 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.800 106.3 48.4 -63.7 -32.8 29.2 17.7 31.8 43 61 A N G < S+ 0 0 69 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 -0.181 82.2 142.9-100.1 40.2 27.4 20.7 30.2 44 62 A A < - 0 0 8 -3,-1.1 2,-0.1 -14,-0.1 -14,-0.1 -0.690 39.3-144.9 -87.5 127.2 24.0 19.7 31.6 45 63 A R - 0 0 114 -2,-0.4 39,-0.1 2,-0.2 -16,-0.1 -0.476 16.1-127.0 -91.3 159.5 21.7 22.6 32.7 46 64 A K S S+ 0 0 80 -2,-0.1 -19,-2.7 -18,-0.1 2,-0.6 0.458 87.7 83.2 -82.8 -6.4 19.2 22.6 35.6 47 65 A D E +C 26 0B 21 -21,-0.2 36,-0.3 -17,-0.0 2,-0.3 -0.916 55.0 156.0-107.9 121.8 16.3 23.8 33.5 48 66 A E E -C 25 0B 0 -23,-1.2 -23,-2.7 -2,-0.6 2,-0.4 -0.928 44.3-113.2-136.9 155.8 14.4 21.1 31.5 49 67 A V E -CE 24 80B 8 31,-2.7 31,-3.2 -2,-0.3 2,-0.4 -0.809 34.8-162.8 -87.5 131.8 11.0 20.7 30.1 50 68 A K E +CE 23 79B 1 -27,-2.5 -27,-2.8 -2,-0.4 2,-0.3 -0.963 14.4 167.3-119.9 134.7 9.1 18.0 31.9 51 69 A F E -CE 22 78B 9 27,-1.8 27,-2.3 -2,-0.4 2,-0.4 -0.990 17.3-159.2-146.9 157.4 6.0 16.2 30.5 52 70 A Q E -CE 21 77B 1 -31,-2.2 -31,-2.0 -2,-0.3 2,-0.4 -0.999 1.6-167.9-140.2 131.8 3.8 13.2 31.2 53 71 A L E - E 0 76B 11 23,-2.0 23,-2.7 -2,-0.4 2,-0.3 -0.948 9.6-178.0-113.1 142.0 1.3 11.3 29.0 54 72 A S E + E 0 75B 0 -2,-0.4 -37,-1.8 21,-0.2 2,-0.3 -0.830 3.2 175.2-146.1 106.9 -1.1 8.8 30.6 55 73 A L E -BE 16 74B 3 19,-2.2 19,-2.3 -2,-0.3 2,-0.4 -0.787 14.4-157.0-108.8 148.3 -3.5 6.7 28.6 56 74 A A E -BE 15 73B 0 -41,-3.0 -41,-0.7 -2,-0.3 17,-0.2 -0.975 8.6-162.9-120.9 139.6 -5.8 3.9 29.8 57 75 A F E - E 0 72B 46 15,-3.3 15,-1.5 -2,-0.4 2,-0.3 -0.965 11.6-144.4-129.3 111.6 -7.1 1.2 27.4 58 76 A P E + E 0 71B 7 0, 0.0 13,-0.2 0, 0.0 3,-0.1 -0.620 23.6 171.4 -71.5 130.0 -10.1 -1.0 28.2 59 77 A L E S+ 0 0 63 11,-2.9 2,-0.3 -2,-0.3 12,-0.2 0.758 70.1 9.8-106.5 -38.7 -9.4 -4.4 26.7 60 78 A W E > - E 0 70B 155 10,-2.1 10,-2.6 406,-0.1 3,-0.9 -0.807 67.1-164.6-151.0 94.5 -12.3 -6.5 28.1 61 79 A R E 3 S+ E 0 69B 86 -2,-0.3 8,-0.2 8,-0.3 6,-0.1 -0.636 79.3 22.1 -77.1 139.4 -15.2 -4.9 29.9 62 80 A G T > S+ 0 0 38 6,-2.5 3,-1.5 3,-0.3 -1,-0.2 0.540 74.3 139.5 81.4 6.7 -17.4 -7.2 31.9 63 81 A I T < S+ 0 0 47 -3,-0.9 -2,-0.1 1,-0.3 6,-0.1 0.827 89.2 14.8 -51.0 -38.0 -14.7 -9.9 32.3 64 82 A L T 3 S- 0 0 102 1,-0.5 -1,-0.3 0, 0.0 3,-0.2 -0.142 136.2 -48.0-128.9 39.5 -15.8 -10.5 35.9 65 83 A G S X S- 0 0 27 -3,-1.5 3,-1.7 1,-0.1 -1,-0.5 -0.444 77.9 -54.1 119.9 166.6 -19.2 -8.7 35.9 66 84 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.716 130.2 41.1 -49.6 -34.2 -21.0 -5.4 34.9 67 85 A N T 3 S+ 0 0 89 -3,-0.2 38,-2.9 -5,-0.1 2,-0.2 0.205 99.1 86.8-109.9 19.5 -18.5 -3.2 36.8 68 86 A S E < - 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0 0 27 -3,-0.6 -3,-0.2 -4,-0.2 -2,-0.1 0.767 58.4 -84.8 82.1 33.5 21.5 19.6 20.7 89 107 A S < - 0 0 23 -5,-2.8 -1,-0.1 1,-0.1 -4,-0.1 0.851 69.6-171.4 35.7 61.1 18.8 19.9 23.3 90 108 A P - 0 0 1 0, 0.0 -9,-2.5 0, 0.0 2,-0.5 -0.217 28.5-100.8 -74.0 163.8 18.9 16.1 24.1 91 109 A F E -F 80 0B 6 289,-2.7 -11,-0.2 -11,-0.2 3,-0.1 -0.783 27.3-166.7 -82.6 123.9 16.5 14.1 26.3 92 110 A R E - 0 0 0 -13,-1.8 2,-0.3 -2,-0.5 -12,-0.2 0.858 67.2 -9.0 -72.9 -35.1 18.1 13.5 29.7 93 111 A E E -F 79 0B 0 -14,-1.4 -14,-2.6 2,-0.0 2,-0.4 -0.959 49.4-170.9-170.9 139.2 15.6 10.9 30.7 94 112 A T E -F 78 0B 4 33,-0.5 2,-0.5 -2,-0.3 -16,-0.2 -0.992 12.6-153.9-138.1 136.9 12.3 9.1 30.0 95 113 A N E -F 77 0B 6 -18,-2.9 -18,-1.6 -2,-0.4 2,-0.6 -0.980 6.9-161.2-114.6 125.7 10.3 6.7 32.2 96 114 A Y E +FG 76 126B 11 30,-2.0 30,-2.2 -2,-0.5 -20,-0.2 -0.947 11.5 179.0-109.1 115.5 8.1 4.2 30.4 97 115 A E E +F 75 0B 22 -22,-2.7 -22,-1.9 -2,-0.6 2,-0.3 -0.736 3.0 172.9-129.0 83.8 5.5 2.8 32.7 98 116 A P E -F 74 0B 36 0, 0.0 26,-2.0 0, 0.0 2,-0.3 -0.625 11.0-165.1 -85.1 142.4 3.0 0.2 31.2 99 117 A Q E -FH 73 123B 11 -26,-2.0 -26,-1.6 -2,-0.3 2,-0.4 -0.975 17.6-159.1-133.9 146.4 0.5 -1.7 33.3 100 118 A L E +FH 72 122B 89 22,-1.4 22,-3.1 -2,-0.3 2,-0.3 -0.994 38.5 155.9-118.9 124.4 -1.7 -4.8 32.8 101 119 A F E -FH 71 121B 6 -30,-2.5 -30,-2.1 -2,-0.4 2,-0.4 -0.891 45.7-129.8-147.9 177.7 -4.6 -4.8 35.4 102 120 A L E -FH 70 120B 54 18,-2.2 18,-2.2 -2,-0.3 2,-0.4 -0.973 34.7-173.3-135.7 112.0 -8.0 -5.8 36.6 103 121 A G E -FH 69 119B 0 -34,-2.4 -34,-1.4 -2,-0.4 2,-0.4 -0.894 13.8-159.6-121.8 148.3 -10.2 -3.0 37.8 104 122 A F E -FH 68 118B 53 14,-2.8 14,-1.8 -2,-0.4 2,-0.9 -0.953 16.7-141.8-122.0 134.1 -13.6 -2.6 39.5 105 123 A A E + H 0 117B 14 -38,-2.9 12,-0.2 -2,-0.4 2,-0.1 -0.845 41.6 175.4 -90.1 104.1 -16.0 0.4 39.7 106 124 A T E - 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