==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 19-JAN-12 4AFK . COMPND 2 MOLECULE: ALGINATE PRODUCTION PROTEIN ALGE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.TAN,V.E.PYE,D.ARAGAO,M.CAFFREY . 430 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 69.3 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 . 225 52.3 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 27 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 2 1 0 1 1 1 1 0 3 2 5 3 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 37 A E 0 0 249 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.8 6.3 -14.6 58.4 2 38 A A - 0 0 83 1,-0.1 2,-0.1 3,-0.0 3,-0.0 -0.363 360.0 -75.9 -58.3 145.8 6.1 -18.2 57.4 3 39 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.280 54.5-123.3 -51.7 117.7 7.6 -18.6 53.8 4 40 A K - 0 0 106 1,-0.1 3,-0.1 -3,-0.1 37,-0.0 -0.501 24.7-169.9 -78.3 124.7 5.0 -17.3 51.4 5 41 A N + 0 0 90 -2,-0.3 37,-2.9 1,-0.2 2,-0.3 0.591 60.7 8.4 -92.7 -15.8 4.0 -19.8 48.8 6 42 A F E +A 41 0A 153 35,-0.3 2,-0.3 426,-0.1 35,-0.2 -0.992 54.3 161.6-161.3 159.0 1.9 -17.7 46.4 7 43 A G E -A 40 0A 13 33,-1.8 33,-2.6 -2,-0.3 2,-0.3 -0.934 25.5-127.1-160.6-175.6 0.7 -14.4 45.3 8 44 A L E -A 39 0A 57 -2,-0.3 424,-3.1 31,-0.2 2,-0.5 -0.957 9.7-156.0-147.5 124.0 -0.8 -12.3 42.6 9 45 A D E -AB 38 431A 25 29,-2.1 29,-2.9 -2,-0.3 2,-0.5 -0.911 14.2-165.3 -99.1 128.8 0.5 -9.0 41.1 10 46 A V E -AB 37 430A 22 420,-3.3 420,-2.9 -2,-0.5 2,-0.4 -0.955 7.9-178.0-118.2 125.0 -2.2 -7.0 39.4 11 47 A K E -AB 36 429A 27 25,-2.5 25,-2.8 -2,-0.5 2,-0.5 -0.985 16.5-166.7-127.5 132.8 -1.3 -4.1 37.2 12 48 A I E -AB 35 428A 69 416,-2.6 416,-3.0 -2,-0.4 2,-0.4 -0.978 21.5-175.8-110.0 126.9 -3.4 -1.6 35.3 13 49 A T E -AB 34 427A 0 21,-2.4 21,-2.5 -2,-0.5 2,-0.4 -0.980 16.9-166.1-125.2 137.0 -1.4 0.3 32.7 14 50 A G E -AB 33 426A 24 412,-2.6 412,-2.0 -2,-0.4 2,-0.4 -0.966 12.4-165.8-112.2 141.7 -2.3 3.1 30.4 15 51 A E E -AB 32 425A 10 17,-2.7 17,-2.2 -2,-0.4 2,-0.5 -0.988 11.0-173.5-128.4 131.8 0.0 4.0 27.4 16 52 A S E +AB 31 424A 31 408,-2.9 408,-2.9 -2,-0.4 2,-0.4 -0.983 14.5 168.2-118.3 120.7 0.1 7.1 25.3 17 53 A E E -AB 30 423A 10 13,-2.1 13,-3.1 -2,-0.5 2,-0.2 -0.995 10.8-169.4-134.4 131.5 2.5 7.0 22.3 18 54 A N E - B 0 422A 77 404,-2.4 404,-2.2 -2,-0.4 11,-0.1 -0.764 64.8 -13.3-170.3 110.4 2.6 9.5 19.4 19 55 A D > + 0 0 12 402,-0.3 3,-2.8 -2,-0.2 -1,-0.2 0.425 49.7 175.4-130.4 125.2 4.2 9.0 17.0 20 56 A R T 3 S+ 0 0 64 8,-0.6 353,-2.9 1,-0.3 9,-0.1 0.807 95.9 41.2 -54.2 -33.4 6.8 6.2 17.0 21 57 A D T > S- 0 0 20 7,-0.2 3,-1.8 351,-0.2 -1,-0.3 0.270 111.6-118.4-101.1 14.1 7.6 6.8 13.3 22 58 A L T < S- 0 0 0 -3,-2.8 396,-2.6 1,-0.3 -2,-0.1 0.742 71.0 -56.0 62.0 26.2 7.4 10.6 13.6 23 59 A G T 3 S+ 0 0 35 394,-0.2 -1,-0.3 4,-0.2 4,-0.1 0.504 111.3 116.5 87.8 5.4 4.5 10.8 11.2 24 60 A T S < S+ 0 0 82 -3,-1.8 -2,-0.1 349,-0.1 350,-0.1 0.828 74.1 34.8 -79.7 -31.2 6.3 9.0 8.4 25 61 A A S S- 0 0 47 2,-0.2 -2,-0.1 1,-0.1 -4,-0.1 -0.690 98.2 -82.0-117.0 170.6 3.9 6.0 8.2 26 62 A P S S- 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.346 81.1 -34.4 -74.7 155.4 0.2 5.7 8.7 27 63 A G S S+ 0 0 54 1,-0.1 -4,-0.2 -4,-0.1 -2,-0.2 0.051 70.7 138.3 38.8-132.5 -1.6 5.4 12.1 28 64 A G + 0 0 55 1,-0.2 -8,-0.6 -8,-0.1 2,-0.2 0.841 35.8 125.5 66.7 35.1 0.5 3.4 14.5 29 65 A T - 0 0 56 -10,-0.1 2,-0.4 -11,-0.1 -1,-0.2 -0.732 47.8-136.7-114.0 169.7 -0.0 5.6 17.6 30 66 A L E +A 17 0A 20 -13,-3.1 -13,-2.1 -2,-0.2 2,-0.1 -0.982 35.4 153.7-134.0 139.7 -1.3 4.5 21.0 31 67 A N E +A 16 0A 128 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.524 46.2 124.7-154.4 84.4 -3.8 5.8 23.6 32 68 A D E -A 15 0A 37 -17,-2.2 -17,-2.7 -2,-0.1 2,-0.3 -0.863 45.2-139.7-150.8 168.3 -4.9 2.7 25.4 33 69 A I E +A 14 0A 93 -2,-0.3 27,-2.4 -19,-0.2 2,-0.3 -0.950 20.2 168.5-139.1 150.3 -5.4 0.8 28.7 34 70 A G E -AC 13 59A 8 -21,-2.5 -21,-2.4 -2,-0.3 2,-0.4 -0.980 27.3-127.7-155.5 166.9 -5.0 -2.7 29.9 35 71 A I E -AC 12 58A 67 23,-2.6 23,-2.0 -2,-0.3 2,-0.4 -0.937 18.0-166.6-119.3 145.4 -4.8 -5.0 32.8 36 72 A D E -AC 11 57A 1 -25,-2.8 -25,-2.5 -2,-0.4 2,-0.5 -0.988 4.0-165.9-135.7 117.4 -1.9 -7.5 33.4 37 73 A L E -AC 10 56A 60 19,-3.0 19,-2.1 -2,-0.4 -27,-0.2 -0.941 4.9-174.6-113.0 127.3 -2.3 -10.3 36.0 38 74 A R E -A 9 0A 35 -29,-2.9 -29,-2.1 -2,-0.5 17,-0.2 -0.802 3.1-171.8-126.2 88.6 0.7 -12.3 37.3 39 75 A P E -A 8 0A 64 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.541 13.7-169.2 -69.3 141.8 -0.1 -15.2 39.6 40 76 A W E -AD 7 53A 30 -33,-2.6 -33,-1.8 13,-0.2 2,-0.3 -0.961 15.6-162.5-137.4 159.0 3.0 -16.8 41.2 41 77 A A E -AD 6 52A 45 11,-2.5 11,-2.1 -2,-0.3 2,-0.3 -0.989 9.7-179.1-138.2 139.9 3.9 -19.9 43.2 42 78 A F E - D 0 51A 47 -37,-2.9 2,-0.3 -2,-0.3 9,-0.2 -0.996 4.0-178.1-143.9 138.1 7.0 -20.6 45.3 43 79 A G E - D 0 50A 9 7,-2.1 7,-2.0 -2,-0.3 2,-0.4 -0.983 3.7-170.2-131.9 150.7 8.2 -23.6 47.3 44 80 A Q E + D 0 49A 111 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.993 9.3 172.2-142.7 131.2 11.3 -24.0 49.4 45 81 A W E > - D 0 48A 158 3,-3.1 3,-2.6 -2,-0.4 2,-0.1 -0.872 64.1 -63.6-142.3 102.5 12.6 -27.2 51.0 46 82 A G T 3 S- 0 0 71 -2,-0.3 -1,-0.2 1,-0.3 47,-0.0 -0.360 122.6 -7.9 52.6-123.8 16.0 -27.0 52.6 47 83 A D T 3 S+ 0 0 83 -3,-0.1 46,-2.6 -2,-0.1 47,-0.3 0.488 124.6 82.7 -80.6 -7.5 18.5 -26.2 49.8 48 84 A W E < +DE 45 92A 136 -3,-2.6 -3,-3.1 44,-0.2 2,-0.3 -0.754 49.4 161.8 -99.8 149.5 15.9 -26.7 47.1 49 85 A S E -DE 44 91A 6 42,-1.6 42,-2.8 -2,-0.3 2,-0.3 -0.967 14.4-164.0-153.0 165.7 13.3 -24.2 45.8 50 86 A A E -DE 43 90A 31 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.3 -0.989 5.4-168.1-152.1 150.9 11.1 -23.8 42.8 51 87 A Y E -DE 42 89A 42 38,-2.5 38,-2.7 -2,-0.3 2,-0.4 -1.000 8.3-176.0-148.2 144.5 9.1 -20.9 41.3 52 88 A F E +DE 41 88A 91 -11,-2.1 -11,-2.5 -2,-0.3 2,-0.4 -0.997 2.9 179.6-136.0 134.5 6.5 -20.2 38.6 53 89 A M E -DE 40 87A 12 34,-2.6 33,-2.1 -2,-0.4 34,-1.9 -0.975 8.6-175.2-131.7 130.7 5.0 -16.9 37.5 54 90 A G E - E 0 85A 5 -15,-2.5 2,-0.3 -2,-0.4 31,-0.2 -0.453 9.7-145.6-107.7-174.2 2.4 -16.6 34.8 55 91 A Q E - E 0 84A 13 29,-1.9 29,-2.6 -17,-0.2 2,-0.4 -0.981 11.8-173.4-158.3 132.1 0.8 -13.7 33.0 56 92 A A E -CE 37 83A 32 -19,-2.1 -19,-3.0 -2,-0.3 2,-0.4 -0.996 15.2-174.6-129.2 132.4 -2.6 -12.8 31.6 57 93 A V E +CE 36 82A 11 25,-2.7 25,-1.6 -2,-0.4 2,-0.3 -0.966 13.9 175.9-130.8 137.3 -3.1 -9.6 29.7 58 94 A A E +CE 35 81A 46 -23,-2.0 -23,-2.6 -2,-0.4 2,-0.3 -0.965 19.2 161.1-136.6 126.6 -6.2 -7.9 28.2 59 95 A A E -C 34 0A 16 21,-1.1 -25,-0.2 -2,-0.3 3,-0.1 -0.942 50.4-117.6-142.1 163.0 -5.9 -4.5 26.6 60 96 A T S S- 0 0 74 -27,-2.4 2,-0.3 -2,-0.3 -26,-0.1 0.657 101.5 -5.0 -76.2 -16.6 -7.7 -2.1 24.2 61 97 A D S S- 0 0 54 -28,-0.3 2,-2.0 19,-0.2 -1,-0.1 -0.927 100.6 -67.2-161.2-178.5 -4.7 -2.3 21.9 62 98 A T + 0 0 60 -2,-0.3 2,-0.1 16,-0.1 18,-0.1 -0.461 69.3 162.5 -83.7 76.9 -1.2 -3.8 21.9 63 99 A I - 0 0 12 -2,-2.0 2,-0.9 17,-0.2 3,-0.1 -0.385 45.6-100.4 -92.5 167.8 0.4 -1.7 24.6 64 100 A E + 0 0 12 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.778 45.7 158.3 -90.7 107.8 3.5 -2.4 26.6 65 101 A T + 0 0 3 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.500 69.9 51.6-100.9 -4.4 2.7 -3.8 30.0 66 102 A D > - 0 0 15 -3,-0.1 3,-2.1 1,-0.1 -1,-0.2 -0.959 65.5-156.7-135.9 111.8 6.1 -5.4 30.5 67 103 A T T 3 S+ 0 0 56 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.746 98.9 55.0 -58.8 -21.4 9.2 -3.4 30.1 68 104 A L T 3 S+ 0 0 23 -3,-0.1 53,-0.3 2,-0.0 -1,-0.3 0.279 81.3 134.9 -94.9 10.9 11.0 -6.7 29.4 69 105 A Q < - 0 0 40 -3,-2.1 2,-0.1 1,-0.1 -5,-0.0 -0.172 65.5 -99.1 -62.2 152.7 8.7 -7.8 26.6 70 106 A S - 0 0 22 1,-0.1 2,-0.5 76,-0.1 -1,-0.1 -0.417 46.2-108.6 -64.8 144.3 10.1 -9.3 23.4 71 107 A D 0 0 98 -3,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.658 360.0 360.0 -83.8 126.8 10.1 -6.7 20.6 72 108 A T 0 0 93 -2,-0.5 5,-0.1 83,-0.0 -1,-0.0 -0.327 360.0 360.0-119.5 360.0 7.6 -7.0 17.9 73 ! 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 74 117 A D 0 0 144 0, 0.0 77,-0.0 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 147.1 3.3 -12.7 10.8 75 118 A G + 0 0 7 75,-0.1 78,-1.5 2,-0.1 77,-1.3 0.132 360.0 63.0 87.0 -20.2 3.9 -15.2 13.5 76 119 A R S S+ 0 0 26 75,-0.2 75,-0.1 76,-0.2 74,-0.0 -0.063 70.7 116.8-121.9 29.0 5.3 -12.2 15.4 77 120 A E - 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