==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 14-SEP-09 3JTY . COMPND 2 MOLECULE: BENF-LIKE PORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS PF-5; . AUTHOR P.SAMPATHKUMAR,F.LU,X.ZHAO,S.WASSERMAN,M.IUZUKA,K.BAIN,M.RUT . 1539 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1157 75.2 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 . 896 58.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 126 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 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 . 12 5 3 0 0 4 0 8 12 16 7 8 11 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 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 32 A G > 0 0 13 0, 0.0 4,-2.3 0, 0.0 44,-0.4 0.000 360.0 360.0 360.0-117.2 1.4 51.8 20.6 2 33 A F T 4 + 0 0 64 1,-0.2 43,-2.7 2,-0.2 53,-0.1 0.886 360.0 23.1 -45.8 -61.0 5.2 51.8 20.4 3 34 A L T >4 S+ 0 0 142 41,-0.2 3,-0.6 1,-0.1 -1,-0.2 0.785 119.7 60.9 -76.0 -35.2 5.9 50.7 24.0 4 35 A E T 34 S+ 0 0 135 1,-0.2 -2,-0.2 40,-0.0 -1,-0.1 0.868 112.3 32.9 -68.2 -41.0 2.6 49.0 24.7 5 36 A D T 3< S+ 0 0 116 -4,-2.3 -1,-0.2 41,-0.1 -2,-0.1 0.239 89.7 134.3-104.5 15.5 2.7 46.3 22.0 6 37 A A < - 0 0 52 -3,-0.6 2,-0.4 -5,-0.2 38,-0.3 -0.392 36.5-162.6 -68.9 138.1 6.5 45.8 22.1 7 38 A Q E -A 43 0A 141 36,-3.6 36,-2.9 -2,-0.1 2,-0.3 -0.933 7.7-177.4-120.4 141.9 8.0 42.3 22.1 8 39 A A E -A 42 0A 33 -2,-0.4 380,-2.1 34,-0.3 2,-0.4 -0.971 0.7-178.7-145.8 129.1 11.5 41.3 23.1 9 40 A N E -AB 41 387A 60 32,-2.1 32,-3.1 -2,-0.3 2,-0.5 -0.970 13.2-164.8-123.2 140.7 13.2 37.8 23.1 10 41 A L E -AB 40 386A 41 376,-1.8 376,-3.0 -2,-0.4 2,-0.6 -0.994 15.0-162.4-119.2 115.2 16.7 36.7 24.1 11 42 A T E -AB 39 385A 34 28,-2.7 28,-2.4 -2,-0.5 2,-0.6 -0.920 5.7-154.9 -99.8 120.4 17.4 33.3 22.8 12 43 A L E -AB 38 384A 62 372,-2.5 372,-2.7 -2,-0.6 2,-0.5 -0.890 18.2-171.2 -86.2 122.1 20.3 31.5 24.5 13 44 A R E -AB 37 383A 31 24,-2.2 24,-2.2 -2,-0.6 2,-0.6 -0.950 14.2-167.9-126.3 111.7 21.6 29.0 21.9 14 45 A N E -AB 36 382A 24 368,-3.2 368,-2.6 -2,-0.5 2,-0.6 -0.864 14.4-174.3 -93.3 117.3 24.2 26.3 22.7 15 46 A F E +AB 35 381A 5 20,-2.3 20,-2.1 -2,-0.6 2,-0.5 -0.881 12.6 180.0-124.9 105.0 25.5 24.8 19.5 16 47 A Y E -AB 34 380A 62 364,-3.2 364,-3.1 -2,-0.6 2,-0.4 -0.886 10.4-176.8 -97.7 126.0 27.9 21.8 19.4 17 48 A F E +AB 33 379A 0 16,-2.3 16,-1.5 -2,-0.5 2,-0.4 -0.986 7.3 178.9-126.9 122.3 28.8 20.8 15.9 18 49 A N E -AB 32 378A 35 360,-3.6 360,-2.5 -2,-0.4 2,-0.7 -0.868 1.4-178.4-129.2 101.3 31.0 17.7 15.1 19 50 A R E -AB 31 377A 30 12,-3.2 12,-2.6 -2,-0.4 2,-0.8 -0.863 9.4-162.1-102.0 111.0 31.7 16.9 11.5 20 51 A N E -AB 30 376A 76 356,-3.2 356,-2.3 -2,-0.7 10,-0.2 -0.802 14.6-138.5 -94.8 104.7 33.9 13.8 11.0 21 52 A F E - B 0 375A 27 8,-1.3 354,-0.3 -2,-0.8 352,-0.1 -0.301 15.2-169.5 -60.2 132.1 35.5 13.6 7.5 22 53 A T + 0 0 15 352,-2.3 353,-0.2 350,-0.2 -1,-0.1 0.544 60.2 81.5-104.5 -4.3 35.4 10.0 6.1 23 54 A N > - 0 0 15 351,-0.6 3,-2.5 349,-0.3 -1,-0.1 -0.903 63.0-153.9-115.8 108.4 37.6 10.3 3.0 24 55 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 348,-0.0 0.516 90.0 70.5 -66.4 -9.0 41.4 10.0 3.7 25 56 A T T 3 S+ 0 0 75 347,-0.1 2,-0.4 2,-0.0 347,-0.1 0.574 81.8 89.6 -75.0 -14.1 42.3 12.1 0.6 26 57 A K S < S- 0 0 58 -3,-2.5 -5,-0.0 346,-0.2 347,-0.0 -0.782 75.0-146.5 -88.5 131.7 40.9 15.1 2.4 27 58 A A S S+ 0 0 110 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 0.827 79.2 70.1 -75.0 -39.9 43.5 16.8 4.5 28 59 A Q - 0 0 57 1,-0.1 3,-0.1 43,-0.0 43,-0.1 -0.711 65.3-161.9 -79.2 128.4 41.4 18.0 7.4 29 60 A G + 0 0 49 -2,-0.4 -8,-1.3 41,-0.2 2,-0.3 0.867 66.8 0.1 -77.7 -42.4 40.3 15.1 9.5 30 61 A K E -A 20 0A 85 40,-0.4 2,-0.5 -10,-0.2 -1,-0.2 -0.994 50.4-143.1-147.5 151.6 37.4 16.8 11.4 31 62 A A E +A 19 0A 1 -12,-2.6 -12,-3.2 -2,-0.3 2,-0.4 -0.983 35.5 163.9-109.3 115.6 35.5 20.1 11.7 32 63 A E E +A 18 0A 14 39,-3.4 2,-0.3 -2,-0.5 36,-0.2 -0.943 2.6 152.3-140.6 115.5 34.5 20.6 15.4 33 64 A E E -A 17 0A 0 -16,-1.5 -16,-2.3 -2,-0.4 2,-0.3 -0.914 21.7-160.0-134.7 160.8 33.4 23.9 17.1 34 65 A W E +AC 16 66A 48 32,-2.0 31,-3.6 -2,-0.3 32,-1.7 -0.948 17.6 176.3-145.3 119.6 31.2 24.7 20.1 35 66 A T E -AC 15 64A 0 -20,-2.1 -20,-2.3 -2,-0.3 2,-0.4 -0.871 24.4-148.6-124.2 159.0 29.6 28.1 20.6 36 67 A Q E -AC 14 63A 27 27,-2.3 27,-2.7 -2,-0.3 2,-0.3 -1.000 28.6-170.6-124.4 128.6 27.2 29.9 23.0 37 68 A S E -AC 13 62A 0 -24,-2.2 -24,-2.2 -2,-0.4 2,-0.4 -0.845 21.2-154.1-127.3 157.5 25.0 32.6 21.4 38 69 A F E -AC 12 61A 58 23,-2.8 23,-2.4 -2,-0.3 2,-0.6 -0.992 9.8-172.0-132.7 113.4 22.6 35.3 22.4 39 70 A I E -AC 11 60A 18 -28,-2.4 -28,-2.7 -2,-0.4 2,-0.7 -0.953 4.0-166.7-112.6 110.0 20.0 36.5 20.0 40 71 A L E -AC 10 59A 61 19,-4.0 19,-3.5 -2,-0.6 2,-0.6 -0.912 8.5-177.6 -93.6 113.1 18.1 39.6 21.2 41 72 A D E +AC 9 58A 53 -32,-3.1 -32,-2.1 -2,-0.7 2,-0.5 -0.928 7.6 173.7-115.9 101.1 15.0 40.0 18.9 42 73 A A E +AC 8 57A 22 15,-2.7 15,-3.2 -2,-0.6 2,-0.4 -0.949 8.8 179.5-118.1 123.4 13.1 43.1 19.9 43 74 A K E -AC 7 56A 88 -36,-2.9 -36,-3.6 -2,-0.5 13,-0.2 -0.982 13.7-151.0-121.8 132.1 10.1 44.4 18.0 44 75 A S - 0 0 13 11,-1.9 -41,-0.2 -2,-0.4 -42,-0.1 -0.583 20.5-112.0 -91.1 163.1 8.2 47.6 19.0 45 76 A G - 0 0 7 -43,-2.7 2,-0.3 -44,-0.4 10,-0.3 -0.253 42.1 -93.4 -74.9 174.7 4.5 48.3 18.4 46 77 A F - 0 0 26 8,-0.1 8,-0.2 -45,-0.1 -41,-0.1 -0.774 40.8-105.7 -86.0 143.2 3.5 51.1 16.0 47 78 A T - 0 0 54 6,-2.0 2,-0.1 -2,-0.3 -1,-0.1 -0.349 50.7 -90.8 -59.3 147.2 2.8 54.6 17.3 48 79 A Q S S+ 0 0 172 4,-0.1 2,-0.3 -3,-0.0 3,-0.2 -0.367 82.5 48.8 -66.3 138.7 -0.9 55.4 17.3 49 80 A G S S- 0 0 61 1,-0.1 3,-0.2 -3,-0.1 -3,-0.0 -0.827 99.5 -45.8 134.7-165.5 -2.6 57.0 14.3 50 81 A T S S+ 0 0 119 1,-0.3 51,-0.7 -2,-0.3 2,-0.5 0.846 130.2 32.3 -70.6 -43.2 -3.0 56.8 10.5 51 82 A V E S- D 0 100A 89 49,-0.2 -1,-0.3 -3,-0.2 49,-0.2 -0.946 85.4-161.1-116.7 105.1 0.8 56.3 9.8 52 83 A G E - D 0 99A 1 47,-1.5 47,-2.0 -2,-0.5 2,-0.3 -0.579 0.8-152.1 -87.9 149.6 2.3 54.4 12.6 53 84 A F E + D 0 98A 92 45,-0.2 -6,-2.0 -2,-0.2 2,-0.3 -0.908 21.0 156.9-123.2 150.6 6.1 54.3 13.3 54 85 A G E - D 0 97A 0 43,-2.1 43,-2.1 -2,-0.3 2,-0.4 -0.959 27.8-128.3-162.7 179.0 8.3 51.7 15.0 55 86 A M E - D 0 96A 64 -10,-0.3 -11,-1.9 -2,-0.3 2,-0.4 -0.998 6.4-160.8-148.0 134.5 11.6 50.1 15.5 56 87 A D E -CD 43 95A 13 39,-2.6 39,-2.4 -2,-0.4 2,-0.5 -0.977 12.0-163.3-117.6 128.3 13.0 46.5 15.3 57 88 A V E -CD 42 94A 32 -15,-3.2 -15,-2.7 -2,-0.4 2,-0.6 -0.974 5.7-168.6-116.3 130.1 16.3 45.7 17.0 58 89 A L E -CD 41 93A 20 35,-3.9 35,-3.8 -2,-0.5 2,-0.6 -0.944 8.1-171.5-118.8 110.8 18.3 42.6 16.3 59 90 A G E -CD 40 92A 10 -19,-3.5 -19,-4.0 -2,-0.6 2,-0.6 -0.901 6.0-176.8-112.8 112.7 21.1 42.0 18.8 60 91 A L E +CD 39 91A 11 31,-2.3 31,-1.6 -2,-0.6 2,-0.4 -0.925 10.5 159.3-125.5 113.6 23.5 39.3 17.9 61 92 A Y E +CD 38 90A 101 -23,-2.4 -23,-2.8 -2,-0.6 2,-0.4 -0.990 7.6 176.8-133.1 136.7 26.4 38.0 20.0 62 93 A S E -CD 37 89A 0 27,-2.4 27,-2.3 -2,-0.4 2,-0.3 -0.992 6.5-167.9-139.2 136.6 28.3 34.7 20.0 63 94 A L E -CD 36 88A 32 -27,-2.7 -27,-2.3 -2,-0.4 2,-0.4 -0.916 25.4-115.1-122.8 149.3 31.3 33.3 21.9 64 95 A K E +C 35 0A 4 23,-3.3 -29,-0.2 -2,-0.3 3,-0.1 -0.663 28.2 172.8 -82.5 131.2 33.5 30.3 21.3 65 96 A L E S+ 0 0 2 -31,-3.6 2,-0.3 1,-0.4 -30,-0.2 0.766 73.9 4.7-102.4 -40.3 33.6 27.5 23.9 66 97 A D E S+C 34 0A 4 -32,-1.7 -32,-2.0 563,-0.0 -1,-0.4 -0.987 87.6 80.4-142.1 151.9 35.7 25.0 22.0 67 98 A G + 0 0 0 -2,-0.3 2,-0.2 -34,-0.2 -34,-0.1 0.081 31.6 179.4 125.0 131.0 37.6 25.0 18.7 68 99 A G > - 0 0 3 -36,-0.2 3,-1.0 1,-0.1 4,-0.2 -0.629 48.8 -51.0-131.7-165.7 40.9 26.2 17.3 69 100 A K T 3 S+ 0 0 51 1,-0.2 15,-0.1 -2,-0.2 -1,-0.1 -0.420 118.3 39.4 -69.6 148.7 42.8 26.2 14.0 70 101 A G T 3 S+ 0 0 58 13,-0.4 -40,-0.4 -2,-0.1 -41,-0.2 0.045 118.1 49.5 99.5 -25.5 43.1 22.8 12.3 71 102 A T S < S+ 0 0 30 -3,-1.0 -39,-3.4 12,-0.2 -2,-0.2 0.244 85.7 99.0-133.5 17.6 39.5 21.8 13.2 72 103 A G + 0 0 5 11,-0.3 -39,-0.1 -41,-0.2 -42,-0.0 -0.178 25.4 104.8 -90.7-170.0 37.3 24.7 12.2 73 104 A G + 0 0 33 4,-0.2 -1,-0.1 -42,-0.1 -42,-0.1 0.423 48.6 111.8 107.6 4.9 35.1 25.1 9.0 74 105 A T S S- 0 0 2 -3,-0.1 -2,-0.1 -57,-0.1 -56,-0.0 0.734 79.0-129.9 -72.8 -28.0 31.7 24.4 10.7 75 106 A Q S S+ 0 0 79 2,-0.3 49,-0.4 81,-0.1 82,-0.1 0.602 80.0 115.3 71.4 20.3 30.7 28.1 10.1 76 107 A L S S+ 0 0 0 47,-0.2 49,-0.1 1,-0.1 47,-0.0 0.636 84.7 34.6 -70.3 -21.9 29.6 28.5 13.8 77 108 A L S S- 0 0 2 47,-0.1 -2,-0.3 79,-0.1 -4,-0.2 -0.972 88.5-109.8-134.8 144.3 32.5 31.0 13.8 78 109 A P - 0 0 22 0, 0.0 8,-2.4 0, 0.0 2,-0.4 -0.430 39.1-133.4 -60.6 155.7 34.1 33.5 11.5 79 110 A L B -T 85 0B 97 77,-0.3 2,-0.1 6,-0.2 5,-0.0 -0.886 8.0-135.8-121.6 137.9 37.5 32.4 10.4 80 111 A D > - 0 0 125 4,-1.8 3,-1.2 -2,-0.4 6,-0.0 -0.289 38.6 -92.8 -81.6 177.8 40.8 34.5 10.4 81 112 A H T 3 S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.911 124.0 49.8 -58.9 -46.0 43.2 34.4 7.5 82 113 A D T 3 S- 0 0 99 2,-0.1 -1,-0.2 1,-0.1 -13,-0.0 0.226 128.1 -91.2 -84.1 16.1 45.5 31.7 9.0 83 114 A G S < S+ 0 0 25 -3,-1.2 -13,-0.4 1,-0.2 -11,-0.3 0.494 79.7 143.0 91.1 6.4 42.5 29.3 9.7 84 115 A R - 0 0 33 -15,-0.1 -4,-1.8 -14,-0.1 -1,-0.2 -0.700 48.1-128.3 -92.4 123.5 41.8 30.5 13.3 85 116 A P B -T 79 0B 5 0, 0.0 -6,-0.2 0, 0.0 -16,-0.1 -0.370 31.3-108.1 -64.9 134.3 38.2 30.7 14.7 86 117 A A - 0 0 32 -8,-2.4 3,-0.1 1,-0.1 -22,-0.0 -0.246 16.7-131.3 -60.6 150.7 37.3 34.0 16.2 87 118 A D S S- 0 0 53 1,-0.3 -23,-3.3 -24,-0.1 2,-0.3 0.861 86.9 -14.2 -72.4 -35.1 36.9 34.0 20.0 88 119 A N E -D 63 0A 73 -25,-0.3 -1,-0.3 -53,-0.0 2,-0.3 -0.966 66.8-174.6-152.8 164.4 33.6 35.8 19.6 89 120 A F E +D 62 0A 13 -27,-2.3 -27,-2.4 -2,-0.3 2,-0.3 -0.978 17.1 121.1-152.0 167.9 31.7 37.7 16.9 90 121 A G E -D 61 0A 26 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.926 26.7-143.6 163.8 178.8 28.5 39.7 16.4 91 122 A R E -D 60 0A 69 -31,-1.6 -31,-2.3 -2,-0.3 2,-0.5 -0.982 22.1-117.0-161.2 162.5 26.6 42.8 15.5 92 123 A L E -D 59 0A 114 -2,-0.3 2,-0.5 -33,-0.2 -33,-0.2 -0.942 27.1-160.4-107.0 128.1 23.6 45.0 16.3 93 124 A G E -D 58 0A 1 -35,-3.8 -35,-3.9 -2,-0.5 2,-0.4 -0.927 8.1-173.0-110.5 130.0 20.9 45.3 13.5 94 125 A V E +D 57 0A 51 -2,-0.5 15,-2.3 -37,-0.2 2,-0.3 -0.985 3.8 179.6-126.1 138.4 18.4 48.2 13.6 95 126 A A E -DE 56 108A 0 -39,-2.4 -39,-2.6 -2,-0.4 2,-0.4 -0.998 15.6-147.9-139.6 139.4 15.4 48.7 11.4 96 127 A F E -DE 55 107A 94 11,-3.0 11,-2.2 -2,-0.3 2,-0.3 -0.856 18.2-172.0-107.3 141.0 12.8 51.3 11.1 97 128 A K E -DE 54 106A 16 -43,-2.1 -43,-2.1 -2,-0.4 2,-0.3 -0.938 10.4-170.6-131.7 154.3 9.2 50.6 10.0 98 129 A A E -DE 53 105A 35 7,-1.6 7,-2.0 -2,-0.3 2,-0.4 -0.988 9.0-155.3-144.7 141.3 6.0 52.6 9.1 99 130 A R E +DE 52 104A 98 -47,-2.0 -47,-1.5 -2,-0.3 2,-0.4 -0.944 11.5 179.1-122.6 135.6 2.5 51.4 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