==== 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 18-JUL-11 3SYS . COMPND 2 MOLECULE: VANILLATE PORIN OPDK; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.VAN DEN BERG,E.EREN . 748 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 450 60.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 . 47 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 10 4 0 0 0 2 0 4 7 7 3 6 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 4 A G > 0 0 25 0, 0.0 4,-2.3 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 151.5 -31.4 38.2 -31.9 2 5 A F T 4 + 0 0 78 36,-0.2 36,-2.5 1,-0.2 46,-0.1 0.902 360.0 21.8 -51.3 -50.4 -30.7 34.6 -32.9 3 6 A L T >4 S+ 0 0 135 34,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.843 118.5 63.5 -87.6 -37.8 -27.5 35.5 -34.8 4 7 A E T 34 S+ 0 0 147 1,-0.3 -2,-0.2 35,-0.1 -1,-0.1 0.920 113.8 31.5 -52.5 -51.9 -26.7 38.7 -33.0 5 8 A D T 3< S+ 0 0 109 -4,-2.3 -1,-0.3 34,-0.1 2,-0.2 0.168 89.8 130.0 -97.4 16.3 -26.2 37.1 -29.6 6 9 A A < - 0 0 47 -3,-1.3 2,-0.4 -5,-0.1 31,-0.3 -0.509 37.3-167.2 -72.9 136.6 -24.9 33.8 -30.8 7 10 A K E -A 36 0A 121 29,-2.9 29,-2.8 -2,-0.2 2,-0.5 -0.970 9.6-158.3-126.3 143.8 -21.7 32.6 -29.2 8 11 A T E -A 35 0A 20 368,-2.2 368,-2.2 -2,-0.4 2,-0.4 -0.984 9.9-174.6-121.9 128.0 -19.3 29.8 -30.3 9 12 A D E -AB 34 375A 64 25,-2.9 25,-3.4 -2,-0.5 2,-0.5 -0.985 3.1-173.9-124.9 128.3 -16.9 28.2 -27.8 10 13 A L E -AB 33 374A 35 364,-3.3 364,-3.2 -2,-0.4 2,-0.5 -0.983 3.9-167.0-120.9 126.8 -14.3 25.6 -28.7 11 14 A V E -AB 32 373A 40 21,-2.5 21,-2.4 -2,-0.5 2,-0.5 -0.965 6.9-158.1-113.9 126.8 -12.2 23.9 -26.0 12 15 A L E -AB 31 372A 49 360,-2.4 360,-2.4 -2,-0.5 2,-0.5 -0.908 15.8-171.2 -97.3 125.8 -9.1 21.8 -26.9 13 16 A R E -AB 30 371A 32 17,-2.6 17,-3.2 -2,-0.5 2,-0.6 -0.924 12.4-171.2-129.0 107.5 -8.4 19.3 -24.1 14 17 A N E -AB 29 370A 37 356,-3.0 356,-2.8 -2,-0.5 2,-0.5 -0.867 18.0-169.5 -96.6 124.3 -5.2 17.3 -24.0 15 18 A Y E -AB 28 369A 5 13,-2.9 13,-2.1 -2,-0.6 2,-0.5 -0.948 16.8-173.4-130.2 116.7 -5.5 14.7 -21.3 16 19 A Y E -AB 27 368A 70 352,-3.1 352,-2.1 -2,-0.5 2,-0.4 -0.934 13.5-175.7-107.2 131.9 -2.9 12.4 -19.8 17 20 A F E +AB 26 367A 2 9,-3.0 9,-2.4 -2,-0.5 2,-0.4 -0.988 7.6 174.0-133.6 127.5 -4.1 9.8 -17.3 18 21 A N E -AB 25 366A 11 348,-2.5 348,-2.3 -2,-0.4 2,-0.4 -0.998 7.5-174.6-134.8 139.1 -2.1 7.3 -15.3 19 22 A R E -AB 24 365A 34 5,-2.4 5,-2.2 -2,-0.4 2,-0.6 -0.985 6.8-164.8-133.6 121.1 -3.2 4.9 -12.6 20 23 A D E B 0 364A 71 344,-2.6 344,-2.5 -2,-0.4 -2,-0.0 -0.927 360.0 360.0-110.2 114.6 -0.7 2.8 -10.6 21 24 A F 0 0 128 -2,-0.6 -1,-0.2 342,-0.2 341,-0.1 0.911 360.0 360.0 -91.1 360.0 -2.1 -0.1 -8.7 22 ! 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 23 33 A L 0 0 137 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 125.6 1.3 0.9 -14.2 24 34 A V E -A 19 0A 83 -5,-2.2 -5,-2.4 2,-0.0 2,-0.3 -0.883 360.0-172.2-119.0 152.3 -1.5 1.6 -16.7 25 35 A D E -A 18 0A 51 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.934 15.5-175.4-149.1 148.4 -1.7 4.7 -18.9 26 36 A E E -A 17 0A 26 -9,-2.4 -9,-3.0 -2,-0.3 2,-0.4 -0.981 1.6-174.3-151.9 143.8 -3.8 6.7 -21.4 27 37 A W E +AC 16 58A 103 31,-0.6 31,-2.8 -2,-0.3 2,-0.3 -1.000 17.4 159.9-139.3 134.0 -3.3 9.8 -23.5 28 38 A A E -AC 15 57A 0 -13,-2.1 -13,-2.9 -2,-0.4 2,-0.5 -0.990 31.8-133.8-153.9 159.8 -6.0 11.5 -25.6 29 39 A Q E -AC 14 56A 42 27,-2.7 27,-2.9 -2,-0.3 2,-0.3 -0.979 25.0-167.0-120.7 126.8 -7.0 14.7 -27.3 30 40 A G E -AC 13 55A 0 -17,-3.2 -17,-2.6 -2,-0.5 2,-0.4 -0.810 12.4-163.0-115.1 154.5 -10.5 16.1 -27.1 31 41 A F E -AC 12 54A 75 23,-2.3 23,-2.1 -2,-0.3 2,-0.5 -0.997 6.7-173.8-132.6 125.4 -12.4 18.8 -28.9 32 42 A I E -AC 11 53A 7 -21,-2.4 -21,-2.5 -2,-0.4 2,-0.5 -0.958 5.6-172.5-125.4 112.3 -15.6 20.3 -27.3 33 43 A L E -AC 10 52A 45 19,-3.3 19,-2.9 -2,-0.5 2,-0.5 -0.912 1.8-172.8-112.5 120.9 -17.5 22.6 -29.5 34 44 A K E -AC 9 51A 86 -25,-3.4 -25,-2.9 -2,-0.5 2,-0.6 -0.963 4.3-173.3-117.3 122.1 -20.5 24.6 -28.1 35 45 A F E +AC 8 50A 88 15,-2.8 15,-2.8 -2,-0.5 2,-0.5 -0.959 8.1 179.1-112.4 116.8 -22.7 26.7 -30.4 36 46 A S E -AC 7 49A 36 -29,-2.8 -29,-2.9 -2,-0.6 13,-0.2 -0.954 12.4-153.6-124.3 115.1 -25.3 28.7 -28.5 37 47 A S - 0 0 13 11,-2.2 -34,-0.2 -2,-0.5 -35,-0.1 -0.204 16.7-115.9 -77.3 169.7 -27.7 31.0 -30.4 38 48 A G - 0 0 5 -36,-2.5 2,-0.4 -37,-0.2 10,-0.4 -0.178 41.3 -93.9 -81.7-169.2 -29.4 34.1 -29.1 39 49 A Y - 0 0 30 -38,-0.2 8,-0.2 8,-0.1 -34,-0.1 -0.904 31.4-113.4-111.6 140.7 -33.2 34.3 -28.9 40 50 A T - 0 0 51 6,-1.8 2,-0.1 -2,-0.4 6,-0.0 -0.419 45.5-102.6 -62.8 145.7 -35.5 35.6 -31.6 41 51 A P S S+ 0 0 115 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.387 75.4 63.9 -72.5 152.5 -37.3 38.7 -30.3 42 52 A G S S- 0 0 63 1,-0.2 3,-0.1 -2,-0.1 -3,-0.0 -0.726 98.4 -50.8 130.4-178.9 -40.8 38.6 -29.1 43 53 A T S S+ 0 0 122 1,-0.2 2,-0.6 -2,-0.2 47,-0.5 0.917 131.6 35.8 -60.9 -45.8 -43.1 37.2 -26.4 44 54 A V S S- 0 0 77 -3,-0.2 2,-0.4 45,-0.1 -1,-0.2 -0.956 83.2-158.3-109.0 115.7 -41.8 33.7 -27.1 45 55 A G E - D 0 88A 0 43,-2.6 43,-2.4 -2,-0.6 2,-0.4 -0.763 7.0-155.9 -91.3 139.3 -38.1 33.8 -27.9 46 56 A V E + D 0 87A 62 -2,-0.4 -6,-1.8 41,-0.2 2,-0.3 -0.955 19.5 159.6-121.6 137.7 -36.7 30.8 -29.8 47 57 A G E - D 0 86A 2 39,-2.7 39,-2.5 -2,-0.4 2,-0.3 -0.857 25.7-138.0-144.3 178.0 -33.1 29.6 -29.9 48 58 A L E - D 0 85A 78 -10,-0.4 -11,-2.2 -2,-0.3 2,-0.4 -0.987 9.3-167.7-146.0 131.3 -30.9 26.6 -30.6 49 59 A D E -CD 36 84A 35 35,-2.9 35,-2.9 -2,-0.3 2,-0.3 -0.933 9.6-174.5-113.3 146.0 -27.9 25.1 -28.9 50 60 A A E -CD 35 83A 26 -15,-2.8 -15,-2.8 -2,-0.4 2,-0.4 -0.981 7.8-162.1-136.6 151.9 -25.6 22.5 -30.3 51 61 A I E -CD 34 82A 14 31,-2.9 31,-2.8 -2,-0.3 2,-0.5 -0.999 0.6-165.3-135.4 133.1 -22.7 20.6 -29.0 52 62 A G E -CD 33 81A 17 -19,-2.9 -19,-3.3 -2,-0.4 2,-0.4 -0.982 7.9-172.7-119.4 129.0 -20.0 18.7 -30.9 53 63 A L E +CD 32 80A 12 27,-2.9 27,-1.7 -2,-0.5 2,-0.3 -0.967 9.3 166.1-124.5 130.4 -17.7 16.2 -29.1 54 64 A F E -CD 31 79A 89 -23,-2.1 -23,-2.3 -2,-0.4 2,-0.4 -0.972 8.8-173.9-146.8 131.1 -14.7 14.5 -30.6 55 65 A G E -CD 30 78A 0 23,-3.1 23,-1.9 -2,-0.3 2,-0.4 -0.976 5.9-161.0-127.7 141.7 -11.9 12.5 -29.0 56 66 A V E -CD 29 77A 44 -27,-2.9 -27,-2.7 -2,-0.4 2,-0.2 -0.980 18.7-127.7-124.6 127.7 -8.7 11.0 -30.4 57 67 A K E -C 28 0A 53 19,-2.8 2,-0.3 -2,-0.4 -29,-0.2 -0.528 23.8-161.6 -70.2 133.9 -6.6 8.3 -28.9 58 68 A L E -C 27 0A 46 -31,-2.8 -31,-0.6 -2,-0.2 -1,-0.0 -0.806 34.9 -76.1-113.1 157.8 -2.8 9.0 -28.6 59 69 A N 0 0 145 -2,-0.3 -1,-0.1 -33,-0.1 -33,-0.1 -0.145 360.0 360.0 -53.6 141.5 -0.0 6.5 -28.1 60 70 A S 0 0 73 -35,-0.1 -34,-0.0 -34,-0.1 -1,-0.0 -0.983 360.0 360.0-151.6 360.0 0.5 5.1 -24.6 61 ! 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 62 76 A N 0 0 79 0, 0.0 -43,-0.0 0, 0.0 -45,-0.0 0.000 360.0 360.0 360.0 167.4 -10.7 4.0 -16.1 63 77 A S + 0 0 16 -39,-0.1 -37,-0.1 -37,-0.0 -45,-0.1 -0.942 360.0 177.0 -65.4 -24.3 -9.1 5.7 -17.8 64 78 A E + 0 0 51 2,-0.2 49,-0.4 1,-0.1 82,-0.1 0.756 41.5 120.4 59.3 26.2 -12.5 6.2 -19.3 65 79 A L S S+ 0 0 0 1,-0.2 -1,-0.1 47,-0.1 49,-0.1 0.778 80.7 19.5 -79.6 -28.7 -10.9 8.7 -21.8 66 80 A L S S- 0 0 5 47,-0.1 -2,-0.2 79,-0.0 -1,-0.2 -0.971 88.7-101.4-141.1 148.9 -12.1 6.5 -24.7 67 81 A P - 0 0 30 0, 0.0 8,-2.8 0, 0.0 2,-0.4 -0.348 39.3-125.9 -66.5 155.1 -14.7 3.7 -25.2 68 82 A L B -T 74 0B 121 6,-0.2 6,-0.3 77,-0.1 2,-0.1 -0.824 11.0-129.1-104.3 143.3 -13.4 0.2 -25.3 69 83 A H > - 0 0 99 4,-3.4 3,-1.6 -2,-0.4 6,-0.0 -0.326 40.4 -96.3 -74.0 170.8 -13.9 -2.4 -28.0 70 84 A D T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.754 125.4 59.7 -63.9 -23.6 -15.3 -5.8 -26.9 71 85 A D T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.635 124.1-102.8 -78.5 -13.9 -11.7 -7.2 -26.8 72 86 A G S < S+ 0 0 52 -3,-1.6 2,-0.5 1,-0.3 -2,-0.1 0.534 78.9 135.6 102.0 11.9 -10.8 -4.6 -24.2 73 87 A R - 0 0 158 1,-0.0 -4,-3.4 0, 0.0 -1,-0.3 -0.804 57.7-116.0 -98.6 130.4 -8.9 -2.3 -26.7 74 88 A A B -T 68 0B 8 -2,-0.5 -6,-0.2 -6,-0.3 -1,-0.0 -0.336 34.9-108.6 -63.4 140.7 -9.5 1.4 -26.6 75 89 A A - 0 0 10 -8,-2.8 3,-0.1 1,-0.1 -1,-0.1 -0.299 15.9-127.5 -67.4 153.4 -11.1 3.0 -29.7 76 90 A D S S- 0 0 114 1,-0.2 -19,-2.8 -20,-0.1 2,-0.3 0.827 85.5 -17.4 -70.9 -33.1 -9.0 5.1 -32.0 77 91 A N E -D 56 0A 89 -21,-0.2 2,-0.3 -10,-0.0 -1,-0.2 -0.979 60.5-175.0-163.6 166.1 -11.6 7.9 -31.8 78 92 A Y E +D 55 0A 13 -23,-1.9 -23,-3.1 -2,-0.3 2,-0.3 -0.976 13.5 145.5-163.9 158.2 -15.2 8.7 -30.8 79 93 A G E -D 54 0A 28 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.976 17.3-161.3 178.8 172.9 -17.6 11.5 -30.9 80 94 A R E -D 53 0A 53 -27,-1.7 -27,-2.9 -2,-0.3 2,-0.4 -0.974 16.2-130.7-162.9 165.8 -21.2 12.8 -31.3 81 95 A V E -D 52 0A 107 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.994 22.4-173.8-128.3 134.6 -23.3 15.9 -32.0 82 96 A G E -D 51 0A 4 -31,-2.8 -31,-2.9 -2,-0.4 2,-0.3 -0.950 3.9-165.7-128.7 147.9 -26.2 17.0 -30.0 83 97 A V E -D 50 0A 72 -2,-0.3 15,-2.3 -33,-0.2 2,-0.4 -0.973 1.9-169.8-132.0 147.5 -28.8 19.8 -30.4 84 98 A A E -DE 49 97A 2 -35,-2.9 -35,-2.9 -2,-0.3 2,-0.3 -1.000 15.4-141.1-135.1 135.1 -31.3 21.4 -28.1 85 99 A A E -DE 48 96A 40 11,-2.9 11,-2.5 -2,-0.4 2,-0.4 -0.707 20.7-156.6 -85.2 147.1 -34.1 23.8 -28.9 86 100 A K E -DE 47 95A 8 -39,-2.5 -39,-2.7 -2,-0.3 2,-0.4 -0.978 11.6-173.5-128.2 144.4 -34.7 26.6 -26.5 87 101 A L E -DE 46 94A 60 7,-2.5 7,-2.9 -2,-0.4 2,-0.4 -0.999 6.6-167.9-135.4 130.6 -37.8 28.6 -25.8 88 102 A R E +DE 45 93A 101 -43,-2.4 -43,-2.6 -2,-0.4 2,-0.4 -0.958 10.4 174.3-124.9 138.0 -38.0 31.6 -23.5 89 103 A V E > - 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