==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 19-JUL-11 3SZV . COMPND 2 MOLECULE: PYROGLUTATMATE PORIN OPDO; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.BERT VAN DEN,E.ELIF . 364 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 78.0 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 . 214 58.8 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 0 0 1 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 . 2 1 0 0 0 1 0 2 3 4 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 -8 A E >> 0 0 64 0, 0.0 4,-2.5 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0-127.8 -10.4 -40.2 36.9 2 -7 A N H 3> + 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.497 360.0 28.8 8.8 -93.9 -8.0 -39.7 39.8 3 -6 A L H 3> S+ 0 0 163 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 124.6 46.7 -65.4 -36.2 -4.4 -40.1 38.4 4 -5 A Y H <> S+ 0 0 172 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.954 115.5 44.4 -70.8 -49.0 -5.2 -38.9 34.9 5 -4 A F H X S+ 0 0 137 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.925 116.1 48.8 -58.5 -43.8 -7.2 -35.9 36.0 6 -3 A Q H X S+ 0 0 88 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.879 105.7 58.3 -65.6 -36.4 -4.5 -35.1 38.5 7 -2 A G H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.916 104.5 50.1 -57.4 -46.4 -1.8 -35.5 35.9 8 -1 A L H X S+ 0 0 97 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.870 112.3 47.7 -63.4 -36.6 -3.3 -32.8 33.8 9 0 A E H >X S+ 0 0 121 -4,-1.6 4,-3.1 2,-0.2 3,-0.5 0.915 108.9 53.7 -67.2 -43.2 -3.5 -30.5 36.8 10 1 A D H 3X S+ 0 0 30 -4,-2.8 4,-1.9 1,-0.2 36,-0.2 0.863 100.3 61.5 -62.9 -34.5 0.1 -31.3 37.7 11 2 A L H 3< S+ 0 0 32 -4,-2.1 35,-2.8 1,-0.2 -1,-0.2 0.897 115.0 34.6 -53.3 -42.1 1.3 -30.3 34.2 12 3 A V H X< S+ 0 0 102 -4,-1.0 3,-2.0 -3,-0.5 -2,-0.2 0.905 110.9 60.8 -81.7 -43.1 -0.0 -26.9 34.8 13 4 A E H 3< S+ 0 0 145 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.854 114.5 34.9 -55.4 -39.9 0.8 -26.6 38.5 14 5 A D T 3< S+ 0 0 90 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.203 97.6 116.9-101.1 13.1 4.5 -27.0 38.0 15 6 A S < - 0 0 6 -3,-2.0 2,-0.3 -5,-0.1 30,-0.2 -0.339 43.3-164.8 -79.3 162.5 4.6 -25.2 34.7 16 7 A H E -A 44 0A 120 28,-2.1 28,-2.8 -2,-0.1 2,-0.3 -0.967 3.5-169.8-142.0 158.8 6.5 -22.0 33.9 17 8 A A E -A 43 0A 7 350,-2.2 349,-2.6 -2,-0.3 350,-1.5 -0.995 2.9-173.7-150.7 148.7 6.2 -19.5 31.0 18 9 A S E -AB 42 365A 34 24,-2.2 24,-2.6 -2,-0.3 2,-0.4 -0.974 13.9-146.1-142.2 157.7 8.1 -16.5 29.6 19 10 A L E -AB 41 364A 48 345,-2.6 345,-2.9 -2,-0.3 2,-0.4 -0.994 14.0-166.8-126.0 127.7 7.8 -13.9 26.9 20 11 A E E -AB 40 363A 21 20,-2.8 20,-2.5 -2,-0.4 2,-0.4 -0.942 4.3-160.0-113.9 135.4 10.8 -12.5 25.1 21 12 A L E -AB 39 362A 58 341,-3.3 341,-2.3 -2,-0.4 2,-0.4 -0.940 11.9-174.9-108.9 135.0 10.7 -9.4 22.9 22 13 A R E -AB 38 361A 19 16,-2.3 16,-3.3 -2,-0.4 2,-0.5 -0.995 13.5-170.5-133.2 130.8 13.4 -8.9 20.3 23 14 A N E -AB 37 360A 29 337,-3.0 337,-3.0 -2,-0.4 2,-0.5 -0.984 18.8-170.6-119.3 121.9 14.0 -6.0 18.0 24 15 A F E -AB 36 359A 17 12,-2.8 12,-2.4 -2,-0.5 2,-0.4 -0.949 14.3-176.2-126.3 123.7 16.7 -6.7 15.4 25 16 A Y E -AB 35 358A 72 333,-2.9 333,-2.6 -2,-0.5 2,-0.4 -0.968 9.7-177.6-118.4 136.8 18.4 -4.5 13.0 26 17 A F E +AB 34 357A 46 8,-2.7 8,-2.5 -2,-0.4 2,-0.4 -0.996 5.9 179.9-137.3 131.1 20.9 -5.9 10.4 27 18 A N E - B 0 356A 45 329,-2.5 329,-2.3 -2,-0.4 2,-0.5 -0.995 5.3-171.9-134.8 131.8 23.0 -4.2 7.8 28 19 A R E - B 0 355A 95 -2,-0.4 2,-0.5 327,-0.2 327,-0.2 -0.988 3.6-172.1-120.4 124.4 25.4 -5.7 5.3 29 20 A D E - B 0 354A 97 325,-3.2 325,-2.2 -2,-0.5 2,-0.4 -0.959 10.2-154.0-116.1 116.3 27.7 -3.4 3.2 30 21 A F E B 0 353A 112 -2,-0.5 323,-0.2 323,-0.2 -2,-0.0 -0.772 360.0 360.0 -92.1 132.4 29.7 -5.1 0.5 31 22 A R 0 0 208 321,-1.4 321,-0.2 -2,-0.4 -1,-0.1 -0.302 360.0 360.0 -64.7 360.0 32.9 -3.4 -0.6 32 ! 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 33 31 A D 0 0 115 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.000 360.0 360.0 360.0 113.4 19.3 -3.8 5.4 34 32 A E E -A 26 0A 41 -8,-2.5 -8,-2.7 33,-0.1 2,-0.4 -0.993 360.0-174.3-145.5 136.5 16.6 -5.3 7.6 35 33 A W E +AC 25 66A 89 31,-0.6 31,-3.4 -2,-0.3 2,-0.3 -0.998 20.4 163.9-127.9 132.2 14.7 -4.2 10.7 36 34 A A E -AC 24 65A 6 -12,-2.4 -12,-2.8 -2,-0.4 2,-0.4 -0.991 29.5-140.1-150.8 155.6 12.3 -6.6 12.4 37 35 A Q E -AC 23 64A 34 27,-2.6 27,-2.0 -2,-0.3 2,-0.3 -0.961 23.5-171.8-118.0 135.1 10.3 -7.2 15.7 38 36 A G E -AC 22 63A 0 -16,-3.3 -16,-2.3 -2,-0.4 2,-0.4 -0.903 14.1-161.0-128.8 154.8 9.9 -10.6 17.2 39 37 A F E -AC 21 62A 67 23,-2.6 23,-2.0 -2,-0.3 2,-0.5 -0.998 6.3-169.3-132.3 135.4 8.0 -12.2 20.1 40 38 A L E -AC 20 61A 0 -20,-2.5 -20,-2.8 -2,-0.4 2,-0.6 -0.961 0.3-170.4-130.2 112.7 8.9 -15.5 21.7 41 39 A L E -AC 19 60A 85 19,-2.9 19,-2.9 -2,-0.5 2,-0.5 -0.915 8.5-169.9-104.6 120.8 6.4 -17.2 24.0 42 40 A R E -AC 18 59A 79 -24,-2.6 -24,-2.2 -2,-0.6 2,-0.4 -0.949 6.7-178.5-114.8 124.6 7.9 -20.2 25.9 43 41 A L E -AC 17 58A 52 15,-2.8 15,-2.3 -2,-0.5 2,-0.5 -0.989 2.9-176.0-120.2 130.7 5.8 -22.6 28.0 44 42 A E E -AC 16 57A 111 -28,-2.8 -28,-2.1 -2,-0.4 13,-0.2 -0.967 16.3-149.2-123.8 114.8 7.3 -25.5 29.8 45 43 A S - 0 0 10 11,-1.3 -33,-0.2 -2,-0.5 -34,-0.1 -0.253 14.6-116.8 -74.7 165.6 4.9 -27.8 31.6 46 44 A G - 0 0 6 -35,-2.8 2,-0.4 -36,-0.2 10,-0.4 -0.155 39.2-100.0 -77.5-171.7 5.5 -29.8 34.8 47 45 A F - 0 0 33 -37,-0.2 8,-0.2 8,-0.1 2,-0.1 -0.911 26.8-110.2-116.4 144.9 5.4 -33.6 34.6 48 46 A S - 0 0 20 6,-2.2 -41,-0.1 -2,-0.4 6,-0.1 -0.443 47.7 -99.1 -64.9 143.9 2.6 -36.0 35.6 49 47 A E S S+ 0 0 137 -46,-0.2 2,-0.2 4,-0.1 3,-0.1 -0.299 75.8 73.5 -65.3 150.1 3.5 -37.9 38.8 50 48 A G S S- 0 0 52 1,-0.2 3,-0.1 3,-0.1 -3,-0.0 -0.619 94.8 -64.2 133.3 169.3 4.8 -41.5 38.5 51 49 A T S S+ 0 0 123 1,-0.2 34,-0.6 -2,-0.2 2,-0.6 0.923 131.1 36.8 -53.6 -47.2 7.8 -43.6 37.5 52 50 A V E S- D 0 84A 65 -3,-0.1 2,-0.4 32,-0.1 32,-0.2 -0.952 85.1-161.0-107.1 122.6 7.4 -42.2 34.0 53 51 A G E - D 0 83A 0 30,-2.6 30,-2.6 -2,-0.6 2,-0.3 -0.816 1.6-155.9-103.7 143.8 6.3 -38.6 33.9 54 52 A F E + D 0 82A 116 -2,-0.4 -6,-2.2 28,-0.2 2,-0.3 -0.882 20.2 152.1-119.8 150.4 4.7 -36.9 30.9 55 53 A G E - D 0 81A 10 26,-2.5 26,-2.4 -2,-0.3 2,-0.3 -0.918 28.7-131.5-157.3-178.2 4.6 -33.3 29.9 56 54 A V E - 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