==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 05-DEC-06 2O4V . COMPND 2 MOLECULE: PORIN P; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR T.F.MORAES,M.BAINS,R.E.HANCOCK,N.C.STRYNADKA . 1233 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 649 52.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 3 0.2 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 . 104 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 3 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 2 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 0 PARALLEL BRIDGES PER LADDER . 21 3 0 6 6 1 2 3 2 6 7 6 9 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 G 0 0 45 0, 0.0 828,-2.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 171.1 88.2 38.7 57.6 2 2 A T B -A 828 0A 75 826,-0.2 832,-2.8 828,-0.0 2,-0.4 -0.380 360.0-142.3 -87.2 164.9 84.5 38.4 57.7 3 3 A V E +v 834 0B 8 824,-0.6 412,-0.5 830,-0.2 2,-0.2 -0.981 35.9 154.9-127.4 115.8 81.9 38.0 54.9 4 4 A T E -vW 835 414B 57 830,-2.2 832,-2.7 -2,-0.4 2,-0.3 -0.739 29.3-141.5-129.5 178.3 78.7 40.0 55.4 5 5 A T - 0 0 9 408,-1.7 832,-0.1 -2,-0.2 4,-0.0 -0.970 13.7-140.5-141.2 154.7 75.9 41.5 53.4 6 6 A D S S+ 0 0 116 830,-0.4 3,-0.1 -2,-0.3 831,-0.1 0.565 88.1 46.9 -94.2 -8.5 73.9 44.8 53.7 7 7 A G S S- 0 0 37 1,-0.3 -2,-0.2 406,-0.1 3,-0.1 -0.012 111.4 -27.6-104.0-148.1 70.6 43.3 52.7 8 8 A A S S- 0 0 35 1,-0.1 -1,-0.3 405,-0.1 -2,-0.1 -0.264 84.6 -75.7 -64.5 154.3 68.8 40.1 53.9 9 9 A D - 0 0 67 13,-0.1 14,-2.2 -3,-0.1 2,-0.4 -0.137 53.0-146.2 -49.0 144.3 70.8 37.1 55.1 10 10 A I E -Qr 22 415C 1 404,-2.9 406,-2.4 12,-0.2 2,-0.5 -0.940 12.6-156.9-124.4 140.0 72.5 35.1 52.4 11 11 A V E -Qr 21 416C 33 10,-3.0 10,-2.1 -2,-0.4 2,-0.4 -0.967 14.6-163.6-111.3 131.2 73.3 31.4 51.9 12 12 A I E -Q 20 0C 4 404,-2.6 406,-0.4 -2,-0.5 2,-0.3 -0.903 8.1-178.1-113.8 143.2 76.1 30.5 49.5 13 13 A K E -Q 19 0C 82 6,-2.5 6,-2.2 -2,-0.4 2,-0.3 -0.984 7.9-173.3-137.2 147.8 76.8 27.1 47.9 14 14 A T + 0 0 8 -2,-0.3 4,-0.2 4,-0.2 420,-0.1 -0.969 23.3 158.4-141.8 131.9 79.3 25.5 45.6 15 15 A K S S- 0 0 109 -2,-0.3 3,-0.1 466,-0.1 -1,-0.1 -0.099 99.1 -51.5-125.9 31.5 79.5 22.1 44.0 16 16 A G S S+ 0 0 0 1,-0.6 426,-0.2 395,-0.1 2,-0.1 0.012 135.7 50.8 116.9 -25.1 81.9 23.3 41.3 17 17 A G S S- 0 0 1 424,-0.1 -1,-0.6 462,-0.1 2,-0.3 -0.188 90.3 -96.7-114.3-148.6 79.7 26.3 40.3 18 18 A L E + S 0 31C 6 13,-2.6 13,-2.9 -4,-0.2 2,-0.4 -0.993 26.4 179.3-146.5 137.1 78.0 28.9 42.5 19 19 A E E +QS 13 30C 68 -6,-2.2 -6,-2.5 -2,-0.3 2,-0.4 -0.999 5.1 177.0-129.6 137.1 74.7 29.7 44.1 20 20 A V E +QS 12 29C 2 9,-2.7 9,-2.8 -2,-0.4 2,-0.3 -0.989 13.6 164.8-137.7 124.0 74.0 32.8 46.2 21 21 A A E -QS 11 28C 35 -10,-2.1 -10,-3.0 -2,-0.4 7,-0.2 -0.999 36.5-122.5-146.3 139.9 70.5 33.4 47.7 22 22 A T E > -Q 10 0C 12 5,-2.7 3,-1.6 -2,-0.3 -12,-0.2 -0.587 27.9-128.5 -76.8 143.9 68.8 35.5 50.3 23 23 A T T 3 S+ 0 0 84 -14,-2.2 -1,-0.1 1,-0.3 -13,-0.1 0.604 105.2 66.1 -74.4 -11.6 66.9 33.5 52.9 24 24 A D T 3 S- 0 0 86 -15,-0.3 -1,-0.3 3,-0.1 -14,-0.1 0.379 110.1-120.7 -87.0 2.9 63.7 35.4 52.4 25 25 A K S < S+ 0 0 165 -3,-1.6 -2,-0.1 2,-0.2 3,-0.1 0.537 83.3 114.2 71.5 12.4 63.5 34.0 48.8 26 26 A E S S+ 0 0 68 1,-0.2 45,-2.5 44,-0.1 2,-0.4 0.888 74.9 23.9 -82.1 -41.2 63.5 37.5 47.3 27 27 A F + 0 0 13 42,-0.2 -5,-2.7 43,-0.2 2,-0.3 -0.965 64.2 159.3-130.6 143.8 66.9 37.4 45.5 28 28 A S E -ST 21 68C 29 40,-2.1 40,-2.0 -2,-0.4 2,-0.3 -0.987 17.6-163.5-157.1 155.8 69.2 34.7 44.0 29 29 A F E -ST 20 67C 3 -9,-2.8 -9,-2.7 -2,-0.3 2,-0.4 -0.995 7.3-174.7-138.7 138.5 72.0 34.0 41.6 30 30 A K E -ST 19 66C 91 36,-3.2 36,-2.3 -2,-0.3 2,-0.5 -0.975 4.2-171.7-136.6 121.9 73.1 30.7 40.1 31 31 A L E +ST 18 65C 1 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.2 -0.966 30.4 132.7-110.2 122.8 76.1 30.2 37.9 32 32 A G E + T 0 64C 2 32,-2.5 32,-3.0 -2,-0.5 2,-0.3 -0.752 23.0 179.0-146.9-165.9 76.5 26.7 36.4 33 33 A G E - T 0 63C 0 378,-2.3 378,-2.2 30,-0.2 2,-0.3 -0.984 20.0-121.8 178.0-177.1 77.1 24.8 33.2 34 34 A R E -UT 410 62C 17 28,-1.6 28,-2.0 -2,-0.3 2,-0.5 -0.967 10.1-165.3-151.8 136.1 77.6 21.5 31.5 35 35 A L E -UT 409 61C 3 374,-2.5 374,-2.2 -2,-0.3 2,-0.5 -0.993 6.5-175.6-122.2 123.4 80.4 20.0 29.4 36 36 A Q E -UT 408 60C 0 24,-2.6 23,-2.5 -2,-0.5 24,-0.8 -0.934 3.7-171.2-121.7 105.5 79.6 17.0 27.3 37 37 A A E -UT 407 58C 20 370,-3.0 370,-2.3 -2,-0.5 2,-0.3 -0.878 11.2-171.0-100.9 117.3 82.7 15.5 25.5 38 38 A D E -UT 406 57C 5 19,-2.9 19,-1.7 -2,-0.6 2,-0.4 -0.812 18.3-173.8-109.1 145.8 81.9 12.8 23.0 39 39 A Y E +UT 405 56C 79 366,-2.3 366,-2.6 -2,-0.3 2,-0.3 -0.951 18.5 175.0-133.2 120.7 84.0 10.4 20.9 40 40 A G E -UT 404 55C 2 15,-2.4 15,-1.7 -2,-0.4 2,-0.4 -0.933 18.6-167.0-125.6 145.4 82.1 8.3 18.4 41 41 A R E +UT 403 54C 87 362,-2.5 362,-2.6 -2,-0.3 2,-0.3 -0.998 22.4 164.2-128.7 137.1 83.1 5.8 15.7 42 42 A F E +UT 402 53C 3 11,-1.9 11,-2.6 -2,-0.4 360,-0.2 -0.987 10.3 171.2-154.8 154.7 80.6 4.6 13.1 43 43 A D E > +U 401 0C 54 358,-2.2 3,-1.5 -2,-0.3 358,-0.6 -0.728 44.6 44.3-148.7-167.3 80.3 2.9 9.7 44 44 A G E > S+U 400 0C 11 6,-2.2 3,-1.9 1,-0.3 6,-0.4 -0.343 122.2 4.8 60.4-133.3 77.9 1.4 7.1 45 45 A Y T 3 S+ 0 0 0 354,-2.3 -1,-0.3 1,-0.3 355,-0.2 0.783 123.8 70.0 -51.2 -34.0 74.9 3.6 6.4 46 46 A Y T < S+ 0 0 0 -3,-1.5 195,-2.5 4,-0.1 2,-0.3 0.706 100.4 48.7 -60.8 -25.2 76.3 6.4 8.7 47 47 A T B < S-L 240 0D 0 -3,-1.9 348,-0.3 193,-0.3 193,-0.2 -0.794 84.8-121.0-116.3 160.5 79.1 7.2 6.2 48 48 A N S S+ 0 0 53 191,-1.8 347,-1.2 -2,-0.3 346,-0.5 0.881 113.2 29.8 -69.2 -39.8 79.0 7.9 2.5 49 49 A N S S- 0 0 52 190,-0.2 -1,-0.2 345,-0.2 3,-0.1 0.450 109.5-115.6 -98.5 -2.5 81.4 5.1 1.5 50 50 A G S S+ 0 0 12 -6,-0.4 -6,-2.2 1,-0.3 -4,-0.1 0.326 75.0 124.9 85.8 -8.0 80.5 2.8 4.3 51 51 A N S S- 0 0 80 -8,-0.2 2,-0.4 1,-0.1 -1,-0.3 -0.278 72.2 -79.1 -77.1 169.3 84.0 2.9 5.9 52 52 A T + 0 0 50 -9,-0.1 2,-0.2 -3,-0.1 -9,-0.2 -0.567 50.0 175.3 -78.0 124.6 84.6 3.9 9.5 53 53 A A E -T 42 0C 0 -11,-2.6 -11,-1.9 -2,-0.4 537,-0.3 -0.692 11.8-152.6-111.2 171.9 84.6 7.6 10.4 54 54 A D E -T 41 0C 0 535,-2.0 2,-0.3 -2,-0.2 -13,-0.2 -0.894 7.3-156.9-138.8 175.0 84.9 9.2 13.8 55 55 A A E -T 40 0C 0 -15,-1.7 -15,-2.4 -2,-0.3 2,-0.5 -0.898 6.8-177.3-157.1 121.3 83.9 12.4 15.6 56 56 A A E +T 39 0C 4 -2,-0.3 178,-1.8 -17,-0.2 2,-0.3 -0.980 36.5 128.7-119.8 114.4 85.5 14.0 18.7 57 57 A Y E -TV 38 233C 3 -19,-1.7 -19,-2.9 -2,-0.5 2,-0.6 -0.988 63.6 -97.8-159.4 157.5 83.5 17.0 19.7 58 58 A F E -T 37 0C 0 174,-2.2 -21,-0.2 -2,-0.3 3,-0.2 -0.830 27.1-164.4 -83.6 120.5 81.7 18.8 22.6 59 59 A R E S- 0 0 24 -23,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.837 79.0 -1.5 -70.1 -36.6 78.0 17.9 22.2 60 60 A R E +T 36 0C 13 -24,-0.8 -24,-2.6 -3,-0.1 -1,-0.3 -0.970 55.5 178.0-152.0 141.9 77.2 20.8 24.6 61 61 A A E +T 35 0C 0 -2,-0.3 20,-2.7 -26,-0.2 2,-0.4 -0.634 25.7 176.6-143.9 81.0 79.4 23.3 26.4 62 62 A Y E -TW 34 80C 4 -28,-2.0 -28,-1.6 18,-0.2 2,-0.5 -0.736 25.6-159.6 -94.7 137.8 76.9 25.6 28.3 63 63 A L E -TW 33 79C 12 16,-1.9 16,-2.5 -2,-0.4 2,-0.5 -0.957 24.3-155.8-103.2 134.3 77.6 28.4 30.6 64 64 A E E -TW 32 78C 15 -32,-3.0 -32,-2.5 -2,-0.5 2,-0.5 -0.955 17.1-179.0-126.0 119.5 74.5 29.0 32.6 65 65 A F E +TW 31 77C 1 12,-3.1 12,-3.6 -2,-0.5 2,-0.3 -0.978 17.3 154.7-121.8 120.6 73.4 32.2 34.3 66 66 A G E +TW 30 76C 1 -36,-2.3 -36,-3.2 -2,-0.5 2,-0.3 -0.969 5.3 149.6-143.6 158.9 70.1 32.3 36.3 67 67 A G E -TW 29 75C 7 8,-1.9 8,-2.0 -2,-0.3 2,-0.3 -0.988 31.7-117.7-173.6 178.3 68.6 34.2 39.1 68 68 A T E -TW 28 74C 14 -40,-2.0 -40,-2.1 -2,-0.3 2,-0.4 -0.981 19.9-171.9-135.0 141.0 65.6 35.7 40.9 69 69 A A E > S- W 0 73C 0 4,-2.6 4,-1.9 -2,-0.3 -42,-0.2 -0.999 70.7 -1.3-137.4 139.4 64.7 39.3 41.7 70 70 A Y T 4 S- 0 0 55 -2,-0.4 2,-2.9 1,-0.2 -43,-0.2 0.866 112.1 -84.7 49.7 43.3 61.9 40.7 43.9 71 71 A R T 4 S+ 0 0 144 -45,-2.5 -1,-0.2 1,-0.2 -44,-0.0 -0.221 125.4 53.0 67.2 -49.2 60.7 37.1 44.6 72 72 A D T 4 S+ 0 0 27 -2,-2.9 29,-2.4 -3,-0.1 2,-0.6 0.456 87.7 81.5-103.4 -4.7 58.5 36.7 41.4 73 73 A W E < +WX 69 100C 28 -4,-1.9 -4,-2.6 27,-0.2 2,-0.3 -0.916 54.5 177.0-112.3 115.4 60.9 37.6 38.5 74 74 A K E -WX 68 99C 91 25,-3.1 25,-2.9 -2,-0.6 2,-0.3 -0.854 9.2-169.2-115.5 147.8 63.3 35.0 37.2 75 75 A Y E -WX 67 98C 5 -8,-2.0 -8,-1.9 -2,-0.3 2,-0.3 -0.953 4.1-171.9-128.2 156.4 65.8 34.9 34.4 76 76 A Q E -WX 66 97C 54 21,-1.9 21,-2.4 -2,-0.3 2,-0.5 -0.925 3.1-179.8-147.0 122.3 67.8 32.1 32.8 77 77 A I E +WX 65 96C 2 -12,-3.6 -12,-3.1 -2,-0.3 2,-0.5 -0.965 5.3 175.5-125.3 109.2 70.6 32.6 30.2 78 78 A N E -WX 64 95C 6 17,-2.6 16,-2.8 -2,-0.5 17,-1.7 -0.973 8.8-168.1-116.4 118.3 72.3 29.5 28.8 79 79 A Y E -WX 63 93C 11 -16,-2.5 -16,-1.9 -2,-0.5 2,-0.9 -0.924 15.9-138.1-114.4 135.5 74.9 30.0 26.1 80 80 A D E > -W 62 0C 1 12,-3.1 3,-1.2 -2,-0.4 -18,-0.2 -0.784 17.6-179.1 -99.0 102.5 76.4 27.1 24.0 81 81 A L T 3 S+ 0 0 9 -20,-2.7 423,-0.3 -2,-0.9 -1,-0.2 0.664 81.9 66.2 -68.5 -20.0 80.1 27.6 23.5 82 82 A S T 3 S- 0 0 0 -21,-0.3 -1,-0.2 421,-0.1 151,-0.1 0.553 102.8-131.5 -81.3 -9.8 80.1 24.4 21.4 83 83 A R < + 0 0 5 -3,-1.2 -2,-0.1 -22,-0.2 420,-0.1 0.707 68.5 126.1 69.8 25.2 78.0 26.0 18.7 84 84 A N + 0 0 25 1,-0.1 2,-0.3 8,-0.1 -1,-0.1 0.520 67.7 41.8 -94.4 -8.3 75.5 23.1 18.5 85 85 A V S S+ 0 0 24 -5,-0.2 -5,-0.2 7,-0.1 -2,-0.1 -0.997 110.0 4.0-137.2 140.8 72.3 25.2 19.2 86 86 A G S S- 0 0 37 -2,-0.3 6,-0.3 6,-0.2 2,-0.3 -0.361 75.7-109.6 84.2-167.0 71.4 28.6 17.7 87 87 A N B > -M 91 0E 68 4,-1.3 4,-1.9 -2,-0.1 6,-0.1 -0.918 29.7 -90.2-155.0 177.2 73.5 30.5 15.1 88 88 A D T 4 S+ 0 0 29 -2,-0.3 4,-0.1 1,-0.2 824,-0.0 0.358 120.3 47.8 -86.0 10.3 75.8 33.6 14.8 89 89 A S T 4 S+ 0 0 70 2,-0.1 967,-2.7 966,-0.1 968,-0.2 0.751 124.0 26.2-103.8 -50.7 72.8 35.9 13.8 90 90 A A T 4 S- 0 0 7 966,-0.2 792,-0.2 965,-0.2 -2,-0.2 0.702 120.7-105.9 -82.6 -22.9 70.2 35.0 16.4 91 91 A G B < -M 87 0E 1 -4,-1.9 -4,-1.3 1,-0.1 2,-1.3 -0.130 26.2 -85.8 108.5 152.0 72.8 33.9 19.0 92 92 A Y + 0 0 17 -6,-0.3 -12,-3.1 813,-0.3 2,-0.4 -0.383 68.2 161.0 -89.0 60.0 74.0 30.5 20.3 93 93 A F E +X 79 0C 1 -2,-1.3 -14,-0.2 -14,-0.2 3,-0.2 -0.654 36.9 177.8 -87.8 129.1 71.3 30.3 23.0 94 94 A D E S- 0 0 12 -16,-2.8 2,-0.3 -2,-0.4 20,-0.2 0.775 88.5 -7.7 -78.7 -39.9 70.2 27.1 24.7 95 95 A E E +X 78 0C 32 -17,-1.7 -17,-2.6 -3,-0.1 -1,-0.4 -0.983 52.8 169.3-154.8 143.0 67.9 29.5 26.7 96 96 A A E +XY 77 112C 0 16,-2.6 16,-3.1 -2,-0.3 2,-0.3 -0.644 38.7 144.3-151.0 93.1 67.3 33.2 27.2 97 97 A S E -XY 76 111C 1 -21,-2.4 -21,-1.9 14,-0.2 2,-0.4 -0.887 41.9-149.5-135.1 156.6 64.1 33.6 29.2 98 98 A V E -XY 75 110C 6 12,-2.5 12,-3.1 -2,-0.3 2,-0.5 -0.996 19.7-162.5-121.7 132.9 62.3 35.7 31.8 99 99 A T E -XY 74 109C 24 -25,-2.9 -25,-3.1 -2,-0.4 2,-0.5 -0.973 7.7-159.8-119.6 129.2 59.7 34.0 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