==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-MAR-11 3RBH . COMPND 2 MOLECULE: ALGINATE PRODUCTION PROTEIN ALGE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.C.WHITNEY,I.D.HAY,C.LI,P.D.ECKFORD,H.ROBINSON,M.F.AMAYA,L. . 1676 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1191 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 876 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 . 13 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 . 120 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 4 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 . 6 4 0 4 4 4 4 0 12 8 19 13 0 4 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 40 A K 0 0 118 0, 0.0 3,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 115.8 -38.3 -21.9 -36.9 2 41 A N + 0 0 59 1,-0.1 37,-3.1 36,-0.1 2,-0.4 0.662 360.0 37.1 -89.6 -21.1 -34.7 -20.7 -36.7 3 42 A F E +A 38 0A 62 35,-0.2 2,-0.3 2,-0.0 35,-0.2 -0.983 62.2 150.7-137.4 147.9 -33.2 -23.7 -38.5 4 43 A G E -A 37 0A 16 33,-1.8 33,-2.3 -2,-0.4 2,-0.3 -0.958 30.7-135.1-160.4 174.3 -34.1 -25.9 -41.3 5 44 A L E -A 36 0A 57 425,-1.7 425,-2.5 -2,-0.3 2,-0.5 -0.922 14.4-154.8-142.5 113.4 -32.8 -28.1 -44.1 6 45 A D E -AB 35 429A 12 29,-1.9 29,-2.2 -2,-0.3 2,-0.5 -0.789 12.6-161.4 -87.4 124.1 -34.3 -28.1 -47.6 7 46 A V E -AB 34 428A 17 421,-3.6 421,-2.9 -2,-0.5 2,-0.4 -0.926 10.1-179.5-110.6 126.8 -33.8 -31.3 -49.4 8 47 A K E -AB 33 427A 20 25,-2.9 25,-3.0 -2,-0.5 2,-0.5 -0.981 10.7-171.9-126.4 125.5 -34.1 -31.4 -53.2 9 48 A I E -AB 32 426A 67 417,-2.5 417,-2.6 -2,-0.4 2,-0.4 -0.972 18.6-177.2-111.7 131.1 -33.7 -34.4 -55.5 10 49 A T E -AB 31 425A 0 21,-2.9 21,-2.7 -2,-0.5 2,-0.4 -0.978 21.9-164.6-133.2 139.1 -33.7 -33.6 -59.2 11 50 A G E -AB 30 424A 19 413,-2.1 413,-2.0 -2,-0.4 2,-0.4 -0.980 14.7-169.0-113.5 133.6 -33.6 -35.5 -62.5 12 51 A E E -AB 29 423A 3 17,-2.5 17,-2.5 -2,-0.4 2,-0.5 -0.996 6.8-171.1-123.1 132.9 -32.8 -33.5 -65.6 13 52 A S E +AB 28 422A 35 409,-2.8 409,-2.2 -2,-0.4 2,-0.4 -0.989 12.9 170.9-121.4 122.1 -33.1 -34.8 -69.2 14 53 A E E -AB 27 421A 6 13,-3.3 13,-2.7 -2,-0.5 407,-0.2 -0.999 7.8-173.6-140.4 133.0 -31.7 -32.6 -72.0 15 54 A N E - B 0 420A 85 405,-2.0 405,-2.0 -2,-0.4 11,-0.1 -0.653 65.5 -5.7 178.6 104.1 -31.3 -33.5 -75.6 16 55 A D > + 0 0 17 403,-0.3 3,-2.7 9,-0.2 10,-0.2 0.308 51.1 171.4-131.9 123.9 -30.0 -31.8 -77.5 17 56 A R T 3 S+ 0 0 79 8,-2.9 339,-2.5 1,-0.3 8,-0.1 0.784 96.2 35.8 -50.6 -35.4 -28.9 -28.3 -76.4 18 57 A D T 3 S- 0 0 9 337,-0.2 3,-0.4 6,-0.2 -1,-0.3 0.288 110.3-118.7-105.1 8.8 -26.9 -27.7 -79.6 19 58 A L S < S- 0 0 0 -3,-2.7 397,-2.3 1,-0.2 -2,-0.1 0.801 72.4 -54.4 60.0 31.6 -29.4 -29.6 -81.8 20 59 A G S S+ 0 0 36 395,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.819 113.8 110.6 77.2 34.4 -26.8 -32.1 -82.9 21 60 A T S S+ 0 0 75 -3,-0.4 -2,-0.1 335,-0.2 394,-0.1 0.431 77.1 25.6-117.9 -4.5 -24.2 -29.6 -84.1 22 61 A A S S- 0 0 51 2,-0.1 2,-0.2 335,-0.0 -2,-0.2 -0.955 90.3 -84.1-150.5 163.9 -21.5 -30.0 -81.5 23 62 A P S S+ 0 0 129 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.550 97.7 8.9 -70.2 141.6 -20.1 -32.5 -78.9 24 63 A G + 0 0 50 -2,-0.2 -6,-0.2 1,-0.1 -2,-0.1 -0.741 60.5 131.5 95.7-140.0 -22.0 -32.6 -75.6 25 64 A G + 0 0 22 -2,-0.4 -8,-2.9 1,-0.1 2,-0.3 0.376 58.1 98.3 69.9 -4.9 -25.3 -30.6 -75.1 26 65 A T + 0 0 67 -10,-0.2 2,-0.3 -11,-0.1 -11,-0.2 -0.855 42.2 172.8-117.6 154.7 -27.1 -33.6 -73.6 27 66 A L E +A 14 0A 28 -13,-2.7 -13,-3.3 -2,-0.3 31,-0.0 -0.980 17.3 171.1-149.6 149.8 -27.9 -34.8 -70.0 28 67 A N E +A 13 0A 129 -2,-0.3 -15,-0.2 -15,-0.2 2,-0.2 -0.469 47.1 132.7-155.0 77.3 -30.0 -37.5 -68.4 29 68 A D E -A 12 0A 34 -17,-2.5 -17,-2.5 29,-0.0 2,-0.3 -0.727 46.6-133.4-140.4 168.9 -28.9 -37.2 -64.9 30 69 A I E +A 11 0A 88 -19,-0.2 27,-3.1 -2,-0.2 28,-0.4 -0.944 19.6 175.8-133.4 147.4 -29.8 -37.0 -61.2 31 70 A G E -AC 10 56A 3 -21,-2.7 -21,-2.9 -2,-0.3 2,-0.4 -0.996 21.1-143.2-150.8 149.9 -28.7 -34.9 -58.3 32 71 A I E -AC 9 55A 68 23,-2.7 23,-2.0 -2,-0.3 2,-0.4 -0.939 17.4-165.1-113.5 143.6 -29.4 -34.2 -54.6 33 72 A D E -AC 8 54A 1 -25,-3.0 -25,-2.9 -2,-0.4 2,-0.4 -0.991 1.7-167.9-135.4 121.8 -29.3 -30.7 -53.2 34 73 A L E -AC 7 53A 61 19,-3.1 19,-2.9 -2,-0.4 -27,-0.2 -0.931 4.5-176.8-116.5 131.6 -29.1 -29.9 -49.5 35 74 A R E -A 6 0A 15 -29,-2.2 -29,-1.9 -2,-0.4 2,-0.2 -0.716 3.4-171.3-134.2 86.1 -29.7 -26.4 -48.2 36 75 A P E -A 5 0A 63 0, 0.0 15,-2.4 0, 0.0 2,-0.3 -0.541 16.9-176.7 -70.4 139.0 -29.3 -25.9 -44.4 37 76 A W E -AD 4 50A 16 -33,-2.3 -33,-1.8 13,-0.2 2,-0.4 -0.966 19.9-156.6-139.2 158.2 -30.4 -22.5 -43.2 38 77 A A E -AD 3 49A 23 11,-2.1 11,-1.9 -2,-0.3 2,-0.4 -0.998 10.0-173.8-135.9 130.9 -30.5 -20.4 -40.1 39 78 A F E + D 0 48A 44 -37,-3.1 2,-0.3 -2,-0.4 9,-0.2 -0.970 4.9 176.7-126.7 140.9 -32.9 -17.4 -39.3 40 79 A G E - D 0 47A 23 7,-1.8 7,-2.2 -2,-0.4 2,-0.4 -1.000 7.9-171.4-147.2 144.2 -32.9 -15.1 -36.4 41 80 A Q E + D 0 46A 138 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.975 11.1 163.0-143.6 122.1 -34.8 -12.0 -35.3 42 81 A W E > - D 0 45A 74 3,-1.9 3,-1.6 -2,-0.4 2,-0.2 -0.918 66.2 -40.4-144.5 116.6 -34.3 -9.5 -32.3 43 82 A G T 3 S- 0 0 69 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.518 124.0 -21.9 63.4-134.8 -35.9 -6.1 -32.2 44 83 A D T 3 S+ 0 0 81 -2,-0.2 38,-2.9 -3,-0.1 2,-0.3 0.405 123.6 91.8 -85.9 0.5 -35.9 -4.4 -35.6 45 84 A W E < +DE 42 81A 116 -3,-1.6 -3,-1.9 36,-0.2 2,-0.3 -0.697 45.4 167.7-101.3 151.6 -33.1 -6.7 -36.7 46 85 A S E -DE 41 80A 13 34,-1.9 34,-3.1 -2,-0.3 2,-0.3 -0.970 10.5-164.9-150.1 158.6 -32.9 -10.0 -38.4 47 86 A A E -DE 40 79A 18 -7,-2.2 -7,-1.8 -2,-0.3 2,-0.3 -0.964 4.6-168.3-143.9 160.9 -30.2 -12.1 -40.1 48 87 A Y E -DE 39 78A 10 30,-2.3 30,-2.3 -2,-0.3 2,-0.4 -0.981 9.8-178.6-158.4 135.0 -30.1 -15.1 -42.4 49 88 A F E -DE 38 77A 84 -11,-1.9 -11,-2.1 -2,-0.3 2,-0.4 -0.996 2.6-179.5-131.7 140.8 -27.8 -17.6 -43.9 50 89 A X E -DE 37 76A 4 26,-2.8 25,-1.9 -2,-0.4 26,-1.8 -0.939 8.2-171.7-139.1 123.8 -28.5 -20.4 -46.4 51 90 A G E - E 0 74A 6 -15,-2.4 2,-0.3 -2,-0.4 23,-0.2 -0.374 8.9-145.3 -99.5-178.3 -25.8 -22.8 -47.6 52 91 A Q E - E 0 73A 14 21,-1.8 21,-2.1 -17,-0.2 2,-0.4 -0.957 12.9-173.2-156.2 130.0 -25.9 -25.4 -50.3 53 92 A A E -CE 34 72A 34 -19,-2.9 -19,-3.1 -2,-0.3 2,-0.4 -0.993 15.5-176.6-126.4 127.6 -24.4 -28.9 -50.9 54 93 A V E +CE 33 71A 11 17,-2.4 17,-1.9 -2,-0.4 2,-0.4 -0.977 15.3 171.7-130.2 131.5 -24.8 -30.6 -54.2 55 94 A A E +CE 32 70A 47 -23,-2.0 -23,-2.7 -2,-0.4 2,-0.3 -0.982 17.8 163.4-133.6 126.1 -23.9 -34.0 -55.6 56 95 A A E -C 31 0A 17 13,-1.8 -25,-0.3 -2,-0.4 3,-0.1 -0.924 49.2-118.3-139.7 162.0 -25.2 -35.1 -59.0 57 96 A T S S- 0 0 73 -27,-3.1 2,-0.3 -2,-0.3 -26,-0.1 0.729 101.4 -5.5 -74.6 -21.0 -24.4 -37.7 -61.7 58 97 A D S S- 0 0 52 -28,-0.4 2,-2.1 11,-0.2 -1,-0.1 -0.927 99.8 -66.7-156.8 178.1 -23.6 -34.8 -64.0 59 98 A T S S+ 0 0 69 -2,-0.3 2,-0.1 8,-0.1 10,-0.1 -0.461 70.3 155.8 -78.3 75.4 -23.8 -31.0 -64.1 60 99 A I - 0 0 20 -2,-2.1 2,-0.5 9,-0.1 -30,-0.0 -0.435 47.7-100.2 -90.6 169.8 -27.6 -30.6 -64.0 61 100 A E - 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